Intermetallics最新文献_第3页

The microstructure, texture and grain refinement mechanism of cold-rolled AlNdTi alloy target: Large deformation promotes dynamic recrystallization

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-25 DOI: 10.1016/j.intermet.2025.108761

Hongbo Yang , Shuan Li , Shuang Wang , Daogao Wu , Dongyang Tang , Xiaowei Zhang , Xin Liu , Jiamin Zhong , Minglei Xu

In this work, the high pure AlNdTi alloys (

>

99.99 wt%) were rolled to a total of 20 %, 40 %, 60 % and 80 % thickness reduction with a reduction of 2 mm during each pass by a two-high mill rolling machine with the roll diameter of 500 mm. Moreover, a comprehensive investigation was carried out to study their microstructure, phase distribution, misorientation, texture and microhardness properties. As a result, with the cold-rolled deformation increasing, the grain size of AlNdTi alloy reaches its minimum value of 18 μm at 80 % deformation. Meanwhile, the development of phase distribution shows that the reticular distribution state of

α

-Al₁₁Nd₃ remains unchanged, but some microcracks appear on its surface after large rolling deformation. In addition, the misorientation results show that proportion of recrystallized grains in 80 % rolled AlNdTi alloy is as high as 43.2 %, while the proportion of deformed zone is only 12.5 %. Moreover, the percentage of high-angles of 80 % rolled sample is 34.2 % and the average misorientation angle is 16.8

°

. Besides, the subgrains with the diameter of 1∼2

μ

m and recrystallized grains with the diameter of 3∼5 μm observed by TEM provide direct evidence that dynamic recrystallization occurred in high-purity AlNdTi alloys during rolling deformed process. And the grain refinement mechanism was analyzed and discussed. Furthermore, the texture development of AlNdTi alloy with various rolling deformation was analyzed in detail. Besides, 80 % rolled AlNdTi alloy has the largest hardness of 45 HV, while the microhardness of as-cast AlNdTi alloy is only 23 HV. In a word, these results can provide a new perspective on the control of microstructure, phase distribution, texture evolution, etc. of cold-rolled AlNdTi alloy target in liquid crystal display industry. Moreover, it is beneficial for clarify the generation of dynamic recrystallization on the plastic deformation behavior of this alloy target.

{"title":"The microstructure, texture and grain refinement mechanism of cold-rolled AlNdTi alloy target: Large deformation promotes dynamic recrystallization","authors":"Hongbo Yang , Shuan Li , Shuang Wang , Daogao Wu , Dongyang Tang , Xiaowei Zhang , Xin Liu , Jiamin Zhong , Minglei Xu","doi":"10.1016/j.intermet.2025.108761","DOIUrl":"10.1016/j.intermet.2025.108761","url":null,"abstract":"<div><div>In this work, the high pure AlNdTi alloys (<span><math><mrow><mo>></mo></mrow></math></span> 99.99 wt%) were rolled to a total of 20 %, 40 %, 60 % and 80 % thickness reduction with a reduction of 2 mm during each pass by a two-high mill rolling machine with the roll diameter of 500 mm. Moreover, a comprehensive investigation was carried out to study their microstructure, phase distribution, misorientation, texture and microhardness properties. As a result, with the cold-rolled deformation increasing, the grain size of AlNdTi alloy reaches its minimum value of 18 μm at 80 % deformation. Meanwhile, the development of phase distribution shows that the reticular distribution state of <span><math><mrow><mi>α</mi></mrow></math></span>-Al<sub>11</sub>Nd<sub>3</sub> remains unchanged, but some microcracks appear on its surface after large rolling deformation. In addition, the misorientation results show that proportion of recrystallized grains in 80 % rolled AlNdTi alloy is as high as 43.2 %, while the proportion of deformed zone is only 12.5 %. Moreover, the percentage of high-angles of 80 % rolled sample is 34.2 % and the average misorientation angle is 16.8 <span><math><mrow><mo>°</mo></mrow></math></span>. Besides, the subgrains with the diameter of 1∼2 <span><math><mrow><mi>μ</mi></mrow></math></span> m and recrystallized grains with the diameter of 3∼5 μm observed by TEM provide direct evidence that dynamic recrystallization occurred in high-purity AlNdTi alloys during rolling deformed process. And the grain refinement mechanism was analyzed and discussed. Furthermore, the texture development of AlNdTi alloy with various rolling deformation was analyzed in detail. Besides, 80 % rolled AlNdTi alloy has the largest hardness of 45 HV, while the microhardness of as-cast AlNdTi alloy is only 23 HV. In a word, these results can provide a new perspective on the control of microstructure, phase distribution, texture evolution, etc. of cold-rolled AlNdTi alloy target in liquid crystal display industry. Moreover, it is beneficial for clarify the generation of dynamic recrystallization on the plastic deformation behavior of this alloy target.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"182 ","pages":"Article 108761"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Relative phase stability of L12 and DO22/DO23 structures in Al3Nb, Al3Zr and Al3V compounds

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-25 DOI: 10.1016/j.intermet.2025.108750

A.E. Perrin , W. Zhong , Y. Osetskiy , A. Plotkowski , C.B. Joslin , K. An , Jong Keum , G.M. Veith , R.R. Dehoff , Y. Yang

The relative stability of the different tri-aluminide (Al₃M) phases in three binary systems (M = Zr, Nb and V) was assessed for their potential to form fine cubic L1₂ precipitates in additively manufactured alloys. Supersaturated thin films of Al-(8–30) at% M were sputtered and heat treated during in-situ x-ray diffraction (XRD) measurements to observe the temperature ranges of stability for each phase. As-sputtered films were then processed with laser tracks simulating additive manufacturing solidification conditions, and the formation of phases in the laser tracks was correlated with density functional theory (DFT) and nucleation rate calculations. We found that the metastable L1₂ structure is highly competitive with the stable DO₂₃ structure in the Al-Zr system, but much less stable than the DO₂₂ structure in the Al-Nb system, and both the DO₂₂ and Al₈V₅ structure in the Al-V system. These experimental results were found to be in good agreement with the DFT and kinetic calculations, as we determined that the metastable L1₂ in Al-Zr only requires a small amount of undercooling to favor its nucleation over the stable DO₂₃, suggesting additive manufacturing can be a viable pathway to develop Al-Zr alloys strengthened by a high volume fraction of L1₂ Al₃Zr phase.

{"title":"Relative phase stability of L12 and DO22/DO23 structures in Al3Nb, Al3Zr and Al3V compounds","authors":"A.E. Perrin , W. Zhong , Y. Osetskiy , A. Plotkowski , C.B. Joslin , K. An , Jong Keum , G.M. Veith , R.R. Dehoff , Y. Yang","doi":"10.1016/j.intermet.2025.108750","DOIUrl":"10.1016/j.intermet.2025.108750","url":null,"abstract":"<div><div>The relative stability of the different tri-aluminide (Al<sub>3</sub>M) phases in three binary systems (M = Zr, Nb and V) was assessed for their potential to form fine cubic L1<sub>2</sub> precipitates in additively manufactured alloys. Supersaturated thin films of Al-(8–30) at% M were sputtered and heat treated during in-situ x-ray diffraction (XRD) measurements to observe the temperature ranges of stability for each phase. As-sputtered films were then processed with laser tracks simulating additive manufacturing solidification conditions, and the formation of phases in the laser tracks was correlated with density functional theory (DFT) and nucleation rate calculations. We found that the metastable L1<sub>2</sub> structure is highly competitive with the stable DO<sub>23</sub> structure in the Al-Zr system, but much less stable than the DO<sub>22</sub> structure in the Al-Nb system, and both the DO<sub>22</sub> and Al<sub>8</sub>V<sub>5</sub> structure in the Al-V system. These experimental results were found to be in good agreement with the DFT and kinetic calculations, as we determined that the metastable L1<sub>2</sub> in Al-Zr only requires a small amount of undercooling to favor its nucleation over the stable DO<sub>23</sub>, suggesting additive manufacturing can be a viable pathway to develop Al-Zr alloys strengthened by a high volume fraction of L1<sub>2</sub> Al<sub>3</sub>Zr phase.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"182 ","pages":"Article 108750"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Twining evolution and dynamic recrystallization mechanism in GH4706 alloy during hot deformation

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-25 DOI: 10.1016/j.intermet.2025.108758

Yufeng Xia , Xiao Du , Yang Zeng , Haonan Zou , Wenbing Yang , Deyu Zheng

The dynamic recrystallization (DRX) mechanisms and microstructural evolution of the GH4706 alloy are investigated through isothermal constant strain rate hot compression experiments. The experiments are conducted under different deformation parameters. The effects of different deformation parameters on the substructure, grain boundary (GB), misorientation and twinning are systematically studied. The results indicate that T (Temperature),

\dot{ε}

(strain rate), and ε (strain) significantly influence the DRX mechanism and microstructural evolution of GH4706 alloy. As ε increases, Σ3 twin boundaries deviate from their specific orientation. However, new twin structures are formed during the recrystallized grain growth process, with high T and low

\dot{ε}

being more conducive to twin formation. Additionally, discontinuous dynamic recrystallization (DDRX) behavior is identified across all deformation parameters, establishing DDRX as the prime process of DRX in the GH4706 alloy. Continuous dynamic recrystallization (CDRX) typically occurs within grains as an auxiliary nucleation mechanism, particularly active at lower T, higher ε and higher

\dot{ε}

. Meanwhile, twin boundaries provide ideal nucleation sites for DDRX and CDRX grains, thereby accelerating the recrystallization process via twin-induced dynamic recrystallization (TDRX).

{"title":"Twining evolution and dynamic recrystallization mechanism in GH4706 alloy during hot deformation","authors":"Yufeng Xia , Xiao Du , Yang Zeng , Haonan Zou , Wenbing Yang , Deyu Zheng","doi":"10.1016/j.intermet.2025.108758","DOIUrl":"10.1016/j.intermet.2025.108758","url":null,"abstract":"<div><div>The dynamic recrystallization (DRX) mechanisms and microstructural evolution of the GH4706 alloy are investigated through isothermal constant strain rate hot compression experiments. The experiments are conducted under different deformation parameters. The effects of different deformation parameters on the substructure, grain boundary (GB), misorientation and twinning are systematically studied. The results indicate that T (Temperature), <span><math><mrow><mover><mi>ε</mi><mo>˙</mo></mover></mrow></math></span> (strain rate), and ε (strain) significantly influence the DRX mechanism and microstructural evolution of GH4706 alloy. As ε increases, Σ3 twin boundaries deviate from their specific orientation. However, new twin structures are formed during the recrystallized grain growth process, with high T and low <span><math><mrow><mover><mi>ε</mi><mo>˙</mo></mover></mrow></math></span> being more conducive to twin formation. Additionally, discontinuous dynamic recrystallization (DDRX) behavior is identified across all deformation parameters, establishing DDRX as the prime process of DRX in the GH4706 alloy. Continuous dynamic recrystallization (CDRX) typically occurs within grains as an auxiliary nucleation mechanism, particularly active at lower T, higher ε and higher <span><math><mrow><mover><mi>ε</mi><mo>˙</mo></mover></mrow></math></span>. Meanwhile, twin boundaries provide ideal nucleation sites for DDRX and CDRX grains, thereby accelerating the recrystallization process via twin-induced dynamic recrystallization (TDRX).</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"182 ","pages":"Article 108758"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Achieving controllable strength-plasticity balance in metallic glass: Potential energy gradient

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-24 DOI: 10.1016/j.intermet.2025.108757

Rutong Wan , Zhilin Long , Yuxuan Cui , Lidong You

Metallic glasses (MGs) have long been plagued by a dilemma concerning their strength and plasticity. This has restricted the potential applications of these materials. Inspired by the concept of gradient materials, we have devised a novel strategy to address this challenge by leveraging potential energy gradients. In this study, we have designed three distinct types of MGs, each exhibiting controllable step potential energy gradients. Extensive molecular dynamics simulations have demonstrated that potential energy gradient MGs, characterized by a spatial gradient distribution of free volume, possess a "shear band deflection" ability. This free-volume gradient structure promotes the branching and deflection of shear bands, disperses deformation, and delays damage, thereby conferring additional plasticity to the gradient MGs. Concurrently, the high icosahedral content in potential energy gradient MGs contributes to their strength. The simultaneous enhancement of strength and plasticity can be modulated by altering the direction and step amplitude of the potential energy gradient, indicating that the long-standing trade-off between strength and plasticity in MGs can be addressed by controllable potential energy gradients.

{"title":"Achieving controllable strength-plasticity balance in metallic glass: Potential energy gradient","authors":"Rutong Wan , Zhilin Long , Yuxuan Cui , Lidong You","doi":"10.1016/j.intermet.2025.108757","DOIUrl":"10.1016/j.intermet.2025.108757","url":null,"abstract":"<div><div>Metallic glasses (MGs) have long been plagued by a dilemma concerning their strength and plasticity. This has restricted the potential applications of these materials. Inspired by the concept of gradient materials, we have devised a novel strategy to address this challenge by leveraging potential energy gradients. In this study, we have designed three distinct types of MGs, each exhibiting controllable step potential energy gradients. Extensive molecular dynamics simulations have demonstrated that potential energy gradient MGs, characterized by a spatial gradient distribution of free volume, possess a \"shear band deflection\" ability. This free-volume gradient structure promotes the branching and deflection of shear bands, disperses deformation, and delays damage, thereby conferring additional plasticity to the gradient MGs. Concurrently, the high icosahedral content in potential energy gradient MGs contributes to their strength. The simultaneous enhancement of strength and plasticity can be modulated by altering the direction and step amplitude of the potential energy gradient, indicating that the long-standing trade-off between strength and plasticity in MGs can be addressed by controllable potential energy gradients.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108757"},"PeriodicalIF":4.3,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of Ti on the structure and mechanical properties of TixVNbMo (x=0.5, 1.0, 1.5, 2.0) refractory high-entropy alloys: A combined first principles and experimental study

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-24 DOI: 10.1016/j.intermet.2025.108760

Yan Li, Shilong Liang, Junjie Gong, Wei Wu, Yongxin Wang, Zheng Chen

The effect of Ti content on the Ti_xVNbMo (x = 0.5, 1.0, 1.5, 2.0) refractory high-entropy alloys (RHEAs) was systematically studied by combining experimental and theoretical calculations, focusing on phase composition, microstructure and mechanical properties. All the Ti_xVNbMo RHEAs have a BCC single-phase solid solution structure, and the lattice constant increases with the increase of Ti content. Thermodynamic and kinetic stability are confirmed through analyses of enthalpy of formation, cohesive energy, and phonon spectrum. With the increase of Ti content, the hardness, yield strength and elastic modulus gradually decrease, and all alloys are anisotropic. Ti2.0 alloy exhibits the best plasticity, while Ti0.5 alloy has the highest specific yield strength. The main strengthening mechanism of Ti_xVNbMo RHEAs is solid solution strengthening. The electronic structure of Ti_xVNbMo RHEAs was analyzed by COHP, and the results showed that the higher the Ti content, the weaker the internal bonding force, which leads to a decrease in compressive strength. Overall, this study provides insights into the microstructure and mechanical behavior of the Ti_xVNbMo RHEAs from multiple scales, which is crucial for their potential applications.

{"title":"Effect of Ti on the structure and mechanical properties of TixVNbMo (x=0.5, 1.0, 1.5, 2.0) refractory high-entropy alloys: A combined first principles and experimental study","authors":"Yan Li, Shilong Liang, Junjie Gong, Wei Wu, Yongxin Wang, Zheng Chen","doi":"10.1016/j.intermet.2025.108760","DOIUrl":"10.1016/j.intermet.2025.108760","url":null,"abstract":"<div><div>The effect of Ti content on the Ti<sub>x</sub>VNbMo (x = 0.5, 1.0, 1.5, 2.0) refractory high-entropy alloys (RHEAs) was systematically studied by combining experimental and theoretical calculations, focusing on phase composition, microstructure and mechanical properties. All the Ti<sub>x</sub>VNbMo RHEAs have a BCC single-phase solid solution structure, and the lattice constant increases with the increase of Ti content. Thermodynamic and kinetic stability are confirmed through analyses of enthalpy of formation, cohesive energy, and phonon spectrum. With the increase of Ti content, the hardness, yield strength and elastic modulus gradually decrease, and all alloys are anisotropic. Ti2.0 alloy exhibits the best plasticity, while Ti0.5 alloy has the highest specific yield strength. The main strengthening mechanism of Ti<sub>x</sub>VNbMo RHEAs is solid solution strengthening. The electronic structure of Ti<sub>x</sub>VNbMo RHEAs was analyzed by COHP, and the results showed that the higher the Ti content, the weaker the internal bonding force, which leads to a decrease in compressive strength. Overall, this study provides insights into the microstructure and mechanical behavior of the Ti<sub>x</sub>VNbMo RHEAs from multiple scales, which is crucial for their potential applications.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108760"},"PeriodicalIF":4.3,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Superconductivity in Ba5Ir7Ge4 derived from MgCu2-type Laves phase BaIr2

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-22 DOI: 10.1016/j.intermet.2025.108748

Terunari Koshinuma , Hiroshi Fujihisa , Yoshito Gotoh , Izumi Hase , Kenji Kawashima , Shigeyuki Ishida , Hiroshi Eisaki , Hiraku Ogino , Taichiro Nishio , Akira Iyo

We successfully synthesized the new compound Ba₅Ir₇Ge₄ at ambient pressure by adding Ge to BaIr₂, which is a high-pressure stable MgCu₂-type Laves phase. Rietveld analysis revealed that Ba₅Ir₇Ge₄ crystallizes by replacing part of the Ir₄ tetrahedra in BaIr₂ with Ge₄Ir tetrahedra, forming in a network of corner-sharing Ge₄Ir and Ir₃Ge tetrahedra. While BaIr₂ has a cubic structure, Ba₅Ir₇Ge₄ adopts a new prototype structure with a tetragonal space group I4₁/a (no.88) (a = 12.9726(2) Å, c = 8.2703(2) Å). Our experiments demonstrated that Ba₅Ir₇Ge₄ is a type-II superconductor with a transition temperature (T_c) of 3.2 K, which is slightly higher than that of BaIr₂. Electronic structure calculations show that the density of states (DOS) at the Fermi energy is primarily contributed by the d states in the Ir atoms forming the Ir₃Ge tetrahedra. Despite having smaller DOS at the Fermi level, Ba₅Ir₇Ge₄ exhibits a slightly higher T_c than that of BaIr₂, which can be attributed to its higher Debye temperature.

{"title":"Superconductivity in Ba5Ir7Ge4 derived from MgCu2-type Laves phase BaIr2","authors":"Terunari Koshinuma , Hiroshi Fujihisa , Yoshito Gotoh , Izumi Hase , Kenji Kawashima , Shigeyuki Ishida , Hiroshi Eisaki , Hiraku Ogino , Taichiro Nishio , Akira Iyo","doi":"10.1016/j.intermet.2025.108748","DOIUrl":"10.1016/j.intermet.2025.108748","url":null,"abstract":"<div><div>We successfully synthesized the new compound Ba<sub>5</sub>Ir<sub>7</sub>Ge<sub>4</sub> at ambient pressure by adding Ge to BaIr<sub>2</sub>, which is a high-pressure stable MgCu<sub>2</sub>-type Laves phase. Rietveld analysis revealed that Ba<sub>5</sub>Ir<sub>7</sub>Ge<sub>4</sub> crystallizes by replacing part of the Ir<sub>4</sub> tetrahedra in BaIr<sub>2</sub> with Ge<sub>4</sub>Ir tetrahedra, forming in a network of corner-sharing Ge<sub>4</sub>Ir and Ir<sub>3</sub>Ge tetrahedra. While BaIr<sub>2</sub> has a cubic structure, Ba<sub>5</sub>Ir<sub>7</sub>Ge<sub>4</sub> adopts a new prototype structure with a tetragonal space group <em>I</em>4<sub>1</sub>/<em>a</em> (no.88) (<em>a</em> = 12.9726(2) Å, <em>c</em> = 8.2703(2) Å). Our experiments demonstrated that Ba<sub>5</sub>Ir<sub>7</sub>Ge<sub>4</sub> is a type-II superconductor with a transition temperature (<em>T</em><sub>c</sub>) of 3.2 K, which is slightly higher than that of BaIr<sub>2</sub>. Electronic structure calculations show that the density of states (DOS) at the Fermi energy is primarily contributed by the <em>d</em> states in the Ir atoms forming the Ir<sub>3</sub>Ge tetrahedra. Despite having smaller DOS at the Fermi level, Ba<sub>5</sub>Ir<sub>7</sub>Ge<sub>4</sub> exhibits a slightly higher <em>T</em><sub>c</sub> than that of BaIr<sub>2</sub>, which can be attributed to its higher Debye temperature.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108748"},"PeriodicalIF":4.3,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

First-principles and experimental study on structure and properties of CuCrCoFeNixTi high entropy alloy

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-21 DOI: 10.1016/j.intermet.2025.108735

ChongYang Wang, Xiaohong Yang, Xiaoyong Sun, Haiyang Kang, Peng Xiao

CuCrCoFeNixTi(x = 0, 0.5, 1, 1.5, 2.0) high entropy alloys (HEAs) were designed and the solid solution structure model were established based on the first principles. Lattice constant, phase structure, elastic properties, state density and differential charge density of the HEAs were obtained. The simulation results show that the heat of formation of the alloys are negative. With the increases of Ni content, the density of HEA increases, the lattice constant decreases, the Poisson ratio increases, the G/B value decreases and the Cauchy pressure increases. It indicates that the HEAs change from brittleness to toughness. The differential charge density maps show that the charge distributions in the HEAs are relatively uniform, and the metal bond characteristics are presented. The state density diagrams show that CuCrCoFeNi₂Ti has the highest peak state density, which indicates that its metal properties are higher and its toughness is better. Finally, the CuCrCoFeNi_xTi HEAs were prepared by vacuum arc melting and the homogenization was carried out. The microstructures of the alloys were observed and the compression tests were conducted. The results show that the XRD patterns obtained by experiment are similar to those of simulation, and CuCrCoFeNi_xTi HEAs are mainly composed of FCC phase structure. As the Ni content increases, the microstructures of HEAs were more homogeneous, the compressive strength increased from 710.3 MPa to 1878.5 MPa, and the elongation rate increased from 4.9 % to 14.7 %. The fracture morphologies of CuCrCoFeNi_xTi HEAs present a quasi-cleavage fracture, which are mainly manifested in cleavage steps and tearing edges.

{"title":"First-principles and experimental study on structure and properties of CuCrCoFeNixTi high entropy alloy","authors":"ChongYang Wang, Xiaohong Yang, Xiaoyong Sun, Haiyang Kang, Peng Xiao","doi":"10.1016/j.intermet.2025.108735","DOIUrl":"10.1016/j.intermet.2025.108735","url":null,"abstract":"<div><div>CuCrCoFeNixTi(x = 0, 0.5, 1, 1.5, 2.0) high entropy alloys (HEAs) were designed and the solid solution structure model were established based on the first principles. Lattice constant, phase structure, elastic properties, state density and differential charge density of the HEAs were obtained. The simulation results show that the heat of formation of the alloys are negative. With the increases of Ni content, the density of HEA increases, the lattice constant decreases, the Poisson ratio increases, the G/B value decreases and the Cauchy pressure increases. It indicates that the HEAs change from brittleness to toughness. The differential charge density maps show that the charge distributions in the HEAs are relatively uniform, and the metal bond characteristics are presented. The state density diagrams show that CuCrCoFeNi<sub>2</sub>Ti has the highest peak state density, which indicates that its metal properties are higher and its toughness is better. Finally, the CuCrCoFeNi<sub>x</sub>Ti HEAs were prepared by vacuum arc melting and the homogenization was carried out. The microstructures of the alloys were observed and the compression tests were conducted. The results show that the XRD patterns obtained by experiment are similar to those of simulation, and CuCrCoFeNi<sub>x</sub>Ti HEAs are mainly composed of FCC phase structure. As the Ni content increases, the microstructures of HEAs were more homogeneous, the compressive strength increased from 710.3 MPa to 1878.5 MPa, and the elongation rate increased from 4.9 % to 14.7 %. The fracture morphologies of CuCrCoFeNi<sub>x</sub>Ti HEAs present a quasi-cleavage fracture, which are mainly manifested in cleavage steps and tearing edges.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108735"},"PeriodicalIF":4.3,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of alloying and aging treatment on the strain hardening behavior of non-equiatomic CoCrFeNi high entropy alloy

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-20 DOI: 10.1016/j.intermet.2025.108752

Bushra Harun , E-Wen Huang , Yao-Jen Chang , An-Chou Yeh , Jayant Jain , Suresh Neelakantan

The objective of the study was to investigate the work hardening behavior of Al_xCo_1.5CrFeNi_1.5Ti_y (where sum of x and y is 0.5, in atomic ratio and x = 0, 0.2, 0.3, 0.5) high entropy alloys (HEAs) in solutionized and peak-aged conditions. Work hardening behaviour was mainly driven by L1₂ and B2 precipitate formation, during aging, and the ease of stacking fault (SF) formation with varying Ti/Al concentrations. Increasing Ti concentration was found to decrease stacking fault energy (SFE), promoting SF formation and further enhanced work hardening. B2 precipitates contributed to Orowan looping-induced hardening, while L1₂ precipitates induced hardening through precipitate shearing via partial dislocations. Addition of Ti into the AlCoCrFeNi system induced a transition in the deformation mechanism from wavy slip to planar slip. Ordered domains formed during aging facilitate SF generation, resulting in higher work hardening rates. In addition, Taylor lattice-type deformation substructures were observed in the solutionized condition of Ti-containing alloys and were absent in their aged counterparts because precipitation facilitates the easy formation of SFs and hence decreases the propensity of Taylor lattices. Present study enhances the understanding of work hardening in various HEA compositions, aiding in the optimization of alloy design for structural materials.

{"title":"Influence of alloying and aging treatment on the strain hardening behavior of non-equiatomic CoCrFeNi high entropy alloy","authors":"Bushra Harun , E-Wen Huang , Yao-Jen Chang , An-Chou Yeh , Jayant Jain , Suresh Neelakantan","doi":"10.1016/j.intermet.2025.108752","DOIUrl":"10.1016/j.intermet.2025.108752","url":null,"abstract":"<div><div>The objective of the study was to investigate the work hardening behavior of Al<sub>x</sub>Co<sub>1.5</sub>CrFeNi<sub>1.5</sub>Ti<sub>y</sub> (where sum of x and y is 0.5, in atomic ratio and x = 0, 0.2, 0.3, 0.5) high entropy alloys (HEAs) in solutionized and peak-aged conditions. Work hardening behaviour was mainly driven by L1<sub>2</sub> and B2 precipitate formation, during aging, and the ease of stacking fault (SF) formation with varying Ti/Al concentrations. Increasing Ti concentration was found to decrease stacking fault energy (SFE), promoting SF formation and further enhanced work hardening. B2 precipitates contributed to Orowan looping-induced hardening, while L1<sub>2</sub> precipitates induced hardening through precipitate shearing via partial dislocations. Addition of Ti into the AlCoCrFeNi system induced a transition in the deformation mechanism from wavy slip to planar slip. Ordered domains formed during aging facilitate SF generation, resulting in higher work hardening rates. In addition, Taylor lattice-type deformation substructures were observed in the solutionized condition of Ti-containing alloys and were absent in their aged counterparts because precipitation facilitates the easy formation of SFs and hence decreases the propensity of Taylor lattices. Present study enhances the understanding of work hardening in various HEA compositions, aiding in the optimization of alloy design for structural materials.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108752"},"PeriodicalIF":4.3,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dependence of structure and property modification on individual doping between Cu and Ti in FeCrV multi-component alloys

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-20 DOI: 10.1016/j.intermet.2025.108753

Zhi-hao Xu , Fang-qian Zhao , Si-zhe Diao , Ping-ping Liu , Jia-wei Bai , Wen-tuo Han , Ke-wei Gao , Li-ping Guo , Yu-fei Wang , En-gang Fu , Yong Zhang , Qian Zhan

FeCrV multi-component alloys (MCAs) with trace amounts of Cu or Ti, synthetized via mechanical alloying and spark plasma sintering, have the characteristics of nanocrystalline and nano-precipitates, which contribute to their excellent mechanical properties at room temperature. The high thermal stability of nanostructure and exceptional irradiation resistance are of great significance for evaluating their potential advantages as advanced nuclear energy materials. In the present study, the response of structural stability and mechanical properties to the doping of Cu_0.05 and Ti_0.2 (at%) in FeCrV under series of annealing temperatures and durations was investigated systematically. FeCrVCu_0.05 shows the satisfactory structure and performance stability until 600 °C for 30 h mainly due to the good thermal stability of Cu nano-precipitates (∼13 nm) and nanocrystalline (∼367 nm). In contrast, the excessive Laves phase of Fe₂Ti appeared in FeCrVTi_0.2 under the same annealing condition, exerting a detrimental impact on its high-temperature performance. Brittle FeV intermetallic compounds formed in both alloys at 800 °C for 5 h. Additionally, the irradiation resistance was evaluated by the sequential (Fe²⁺+H⁺)-He⁺ ions implantation at 450 °C. The two alloys exhibit comparable resistance to irradiation hardening, probably attributed to their similar sink strength though the dominant sink is different. Electrical properties, thermal conductivity, Young's modulus and corrosion resistance of the two alloys were also obtained. A comparative analysis of the different effects of the doping of Cu and Ti was conducted. Collectively, some relevant experimental data on FeCrV-based MCAs was supplemented for a more comprehensive understanding of this family. This work may help to offer a feasible basis for further optimization of new MCAs.

{"title":"Dependence of structure and property modification on individual doping between Cu and Ti in FeCrV multi-component alloys","authors":"Zhi-hao Xu , Fang-qian Zhao , Si-zhe Diao , Ping-ping Liu , Jia-wei Bai , Wen-tuo Han , Ke-wei Gao , Li-ping Guo , Yu-fei Wang , En-gang Fu , Yong Zhang , Qian Zhan","doi":"10.1016/j.intermet.2025.108753","DOIUrl":"10.1016/j.intermet.2025.108753","url":null,"abstract":"<div><div>FeCrV multi-component alloys (MCAs) with trace amounts of Cu or Ti, synthetized via mechanical alloying and spark plasma sintering, have the characteristics of nanocrystalline and nano-precipitates, which contribute to their excellent mechanical properties at room temperature. The high thermal stability of nanostructure and exceptional irradiation resistance are of great significance for evaluating their potential advantages as advanced nuclear energy materials. In the present study, the response of structural stability and mechanical properties to the doping of Cu<sub>0.05</sub> and Ti<sub>0.2</sub> (at%) in FeCrV under series of annealing temperatures and durations was investigated systematically. FeCrVCu<sub>0.05</sub> shows the satisfactory structure and performance stability until 600 °C for 30 h mainly due to the good thermal stability of Cu nano-precipitates (∼13 nm) and nanocrystalline (∼367 nm). In contrast, the excessive Laves phase of Fe<sub>2</sub>Ti appeared in FeCrVTi<sub>0.2</sub> under the same annealing condition, exerting a detrimental impact on its high-temperature performance. Brittle FeV intermetallic compounds formed in both alloys at 800 °C for 5 h. Additionally, the irradiation resistance was evaluated by the sequential (Fe<sup>2+</sup>+H<sup>+</sup>)-He<sup>+</sup> ions implantation at 450 °C. The two alloys exhibit comparable resistance to irradiation hardening, probably attributed to their similar sink strength though the dominant sink is different. Electrical properties, thermal conductivity, Young's modulus and corrosion resistance of the two alloys were also obtained. A comparative analysis of the different effects of the doping of Cu and Ti was conducted. Collectively, some relevant experimental data on FeCrV-based MCAs was supplemented for a more comprehensive understanding of this family. This work may help to offer a feasible basis for further optimization of new MCAs.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108753"},"PeriodicalIF":4.3,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Microstructures and mechanical properties of Zr-based metallic glass composites plasticized with titanium wire mesh

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics

Pub Date : 2025-03-20 DOI: 10.1016/j.intermet.2025.108754

Yaning Dou , Hong Li , Lele Gao , Chenyang Zhang , Zhengkun Li , Haifeng Zhang , Zhengwang Zhu

Adding a second phase to metallic glasses to prepare metallic glass composites is an effective and commonly employed approach for plasticizing metallic glasses. In this study, a newly designed die-casting process was adopted to incorporate titanium wire mesh as the second phase into the Zr_41.2Ti_13.8Cu_12.5Ni₁₀Be_22.5 (at%) metallic glass, successfully fabricating metallic glass composites with good plasticity. The detection results indicate that the interface between the second phase and the metallic glass matrix in the metallic glass composites fabricated by this process exhibited favorable metallurgical bonding, with no generation of brittle intermediate phases. Furthermore, the incorporation of the second phase can effectively induce the generation of multiple shear bands, and thereby enhance the plasticity of the metallic glass composite. The research results on mechanical properties indicate that when the wire diameter and pore size of the titanium wire mesh are 60 μm and 135 μm respectively, the compressive strength of the metallic glass composite is 1.59 ± 0.02 GPa and the compressive plastic strain reaches 11.8 ± 0.7 %. This research not only offers a novel method for the preparation of metallic glass composites but also provides a reference for the microstructure design of high-plasticity metallic glass composites.

{"title":"Microstructures and mechanical properties of Zr-based metallic glass composites plasticized with titanium wire mesh","authors":"Yaning Dou , Hong Li , Lele Gao , Chenyang Zhang , Zhengkun Li , Haifeng Zhang , Zhengwang Zhu","doi":"10.1016/j.intermet.2025.108754","DOIUrl":"10.1016/j.intermet.2025.108754","url":null,"abstract":"<div><div>Adding a second phase to metallic glasses to prepare metallic glass composites is an effective and commonly employed approach for plasticizing metallic glasses. In this study, a newly designed die-casting process was adopted to incorporate titanium wire mesh as the second phase into the Zr<sub>41.2</sub>Ti<sub>13.8</sub>Cu<sub>12.5</sub>Ni<sub>10</sub>Be<sub>22.5</sub> (at%) metallic glass, successfully fabricating metallic glass composites with good plasticity. The detection results indicate that the interface between the second phase and the metallic glass matrix in the metallic glass composites fabricated by this process exhibited favorable metallurgical bonding, with no generation of brittle intermediate phases. Furthermore, the incorporation of the second phase can effectively induce the generation of multiple shear bands, and thereby enhance the plasticity of the metallic glass composite. The research results on mechanical properties indicate that when the wire diameter and pore size of the titanium wire mesh are 60 μm and 135 μm respectively, the compressive strength of the metallic glass composite is 1.59 ± 0.02 GPa and the compressive plastic strain reaches 11.8 ± 0.7 %. This research not only offers a novel method for the preparation of metallic glass composites but also provides a reference for the microstructure design of high-plasticity metallic glass composites.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"181 ","pages":"Article 108754"},"PeriodicalIF":4.3,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0