Scripta Materialia最新文献

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Impact of non-stoichiometry on lattice thermal conduction at SrTiO3 grain boundaries

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-24 DOI: 10.1016/j.scriptamat.2024.116524

Susumu Fujii , Hiroki Isobe , Wataru Sekimoto , Masato Yoshiya

SrTiO₃ is a typical cubic perovskite and serves as a candidate for thermoelectric materials. To improve the performance, it is necessary to reduce its inherently high lattice thermal conductivity by introducing lattice defects such as grain boundaries. However, the atomic structures and compositions of grain boundaries that effectively suppress thermal conduction in SrTiO₃ have not been elucidated. Here, we have systematically calculated the thermal conductivity of 88 SrTiO₃ symmetric tilt grain boundaries, including stoichiometric, TiO₂-rich, and SrO-rich ones, using molecular dynamics simulations. The result shows that the excess volume of grain boundary is crucial in determining thermal conductivity, as is the case with ionic MgO. Further analysis also reveals that SrO-rich grain boundaries exhibit lower thermal conductivity than TiO₂-rich ones due to their higher excess volume and weaker Sr-O bonds. Grain boundary non-stoichiometry is an important factor to control lattice thermal conduction in SrTiO₃.

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引用次数: 0

Guinier-Preston (GP) zone strengthening of dilute magnesium alloys comprised of earth-abundant elements

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-21 DOI: 10.1016/j.scriptamat.2024.116514

Jishnu J. Bhattacharyya , Seth Faberman , Zehao Li , Aaron Sullivan , Du Cheng , Bassel Khoury , Yuanchen Gao , Taisuke Sasaki , Bicheng Zhou , Derek Warner , Sean R. Agnew

Dilute Mg alloys based upon earth abundant Al, Zn, and Ca (along with minor additions of Mn and Zr) exhibit attractive combinations of strength, ductility, and workability via high-speed extrusion. These alloys derive their strength from high number densities of ordered, single atomic layer Guinier-Preston (GP) zones. The present study explores the potential of two quaternary Mg-Zn-Ca-Zr (ZXK210 and ZXK310) alloys produced as sheet materials. The anisotropic plastic responses of the two alloys are described using an elasto-viscoplastic self-consistent (EVPSC) polycrystal plasticity model. Similar to what was observed in AXM alloys with Mg-Ca-Al GP zones, prismatic slip is more potently strengthened than basal slip. The Mg-Zn-Ca GP zones are found to be intrinsically stronger and have a higher antiphase domain boundary energy than the Mg-Al-Ca GP zones. Finally, it is shown that the ZXK alloys are immune from natural over-aging.

{"title":"Guinier-Preston (GP) zone strengthening of dilute magnesium alloys comprised of earth-abundant elements","authors":"Jishnu J. Bhattacharyya , Seth Faberman , Zehao Li , Aaron Sullivan , Du Cheng , Bassel Khoury , Yuanchen Gao , Taisuke Sasaki , Bicheng Zhou , Derek Warner , Sean R. Agnew","doi":"10.1016/j.scriptamat.2024.116514","DOIUrl":"10.1016/j.scriptamat.2024.116514","url":null,"abstract":"<div><div>Dilute Mg alloys based upon earth abundant Al, Zn, and Ca (along with minor additions of Mn and Zr) exhibit attractive combinations of strength, ductility, and workability via high-speed extrusion. These alloys derive their strength from high number densities of ordered, single atomic layer Guinier-Preston (GP) zones. The present study explores the potential of two quaternary Mg-Zn-Ca-Zr (ZXK210 and ZXK310) alloys produced as sheet materials. The anisotropic plastic responses of the two alloys are described using an elasto-viscoplastic self-consistent (EVPSC) polycrystal plasticity model. Similar to what was observed in AXM alloys with Mg-Ca-Al GP zones, prismatic slip is more potently strengthened than basal slip. The Mg-Zn-Ca GP zones are found to be intrinsically stronger and have a higher antiphase domain boundary energy than the Mg-Al-Ca GP zones. Finally, it is shown that the ZXK alloys are immune from natural over-aging.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"258 ","pages":"Article 116514"},"PeriodicalIF":5.3,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143092685","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

Silver doped Cantor alloy thin films with tweed-like microstructure

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-20 DOI: 10.1016/j.scriptamat.2024.116521

Salah-Eddine Benrazzouq , Abdelkrim Redjaimia , Jaafar Ghanbaja , Jean-Sébastien Lecomte , Sylvie Migot , Valentin A. Milichko , Jean-François Pierson

We report on the effect of silver doping on the microstructure of Cantor alloy thin films deposited by magnetron co-sputtering. The introduction of silver, with its higher enthalpy of mixing exceeding the thermodynamic criterion for stable solid solutions, promotes the coexistence of a crystallized silver face-centered cubic (fcc) phase alongside the Cantor phase. Using X-ray diffraction, scanning and transmission electron microscopy, and energy-dispersive X-ray spectroscopy, alongside with thermodynamic modeling through the CALPHAD methodology, we provide a comprehensive analysis of the resulting tweed-like microstructure. The findings underscore the substantial impact of compositional modifications on the microstructural development of high entropy alloys for their diverse applications.

引用次数: 0

Direct observations of jog formation and drag caused by screw-screw dislocation interaction

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-19 DOI: 10.1016/j.scriptamat.2024.116513

Shun Kondo , Naoya Shibata , Yuichi Ikuhara

During deformation of crystalline materials, moving dislocations interact with one another, which severely controls their mechanical responses. In particular, intersections between screw dislocations have been proposed to significantly decrease the mobility of screw dislocations due to the formation of jogs. However, the detailed intersection processes and the motion of jogged screw dislocations have not been well characterized for many years. Here, we directly observe screw-screw dislocation intersections, jog formation and jog dragging/gliding in SrTiO₃ via in situ nanoindentation inside a transmission electron microscope. Our in situ observations clearly show that screw-screw dislocation intersections and the consequent jog drag effectively limit dislocation mobility. It was found that jogs on a screw dislocation can be swept out along the dislocation line if an inhomogeneous stress distribution is applied along the dislocation line. The present findings indicate that the stress distribution along the dislocation line crucially affects jogged screw dislocation mobility.

引用次数: 0

Ab initio simulations of M2AX (M = lanthanides, A = Al or Si, X = C or N) phases as bond coats for thermal barrier coatings

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-19 DOI: 10.1016/j.scriptamat.2024.116520

Hyokyeong Kim , Jaewon Choi , Jiwoo Choi , Jongwook Kwak , Jiwoong Kim

MAX phases such as Ti₂AlC and Cr₂AlC are attracting attention due to their oxides (Al₂O₃ or Cr₂O₃). However, little research has considered MAX phases incorporating rare earth elements at the M sites. This study used ab initio calculations to explore the temperature dependence of the Young's modulus and coefficient of thermal expansion (CTE) of MAX phases with M = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, or Lu. MAX phases with M = Er, Lu, and Tm are particularly suitable for use as a bond coat (BC) layer between a thermally grown oxide (TGO) and substrate, given the compatibility of thermal expansion. The low CTE difference between a MAX phase and the TGOs or substrate can effectively relieve thermal stresses. These findings provide valuable insights into the development of MAX phase BCs.

引用次数: 0

Atomic-scale observations of dislocation junction formation and decomposition processes in gold

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-19 DOI: 10.1016/j.scriptamat.2024.116505

Mingen Sou , Shun Kondo , Takaaki Sato , Eita Tochigi , Naoya Shibata , Yuichi Ikuhara

Work hardening originates from the impediment of dislocation motion. In fcc metals, a crucial obstacle to dislocation motion is a stair-rod dislocation (SRD), which has V-shaped stacking faults (SFs) structure. Thus, the density of the SRDs during deformation should govern the behavior of work hardening. However, the SRD formation and decomposition mechanisms during deformation have not been well understood due to the experimental difficulties in direct visualization of the dynamic evolution processes. Here, we show the SRD formation and decomposition processes in single crystalline gold at the atomic scale via in situ straining experiment inside a scanning transmission electron microscope. Our atomic-scale direct observations revealed that the SF width has a crucial influence on the probability of the SRD formation and the stability against the SRD decomposition. Our findings indicate the dependence of work hardening on SF width, which offers a renewed perspective on the puzzle of work hardening phenomenon.

引用次数: 0

Reduction of vanadium diffusivity within copper grain boundaries due to enhanced binding

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-18 DOI: 10.1016/j.scriptamat.2024.116515

T.Y. Liu , E. Sheu , M. Tavakolzadeh , D.J. Williams , J.K. Baldwin , M.J. Demkowicz

We investigate permeation of vanadium (V) through copper (Cu) layers in V/Cu/niobium (Nb) and molybdenum (Mo)/Cu/V tri-layer composites and compare it with the permeation behavior of Nb. Despite their low solubility in single-crystal Cu, both V and Nb permeate readily due to short-circuit transport through Cu grain boundaries (GBs). However, Nb permeates preferentially to V. Atomistic simulations suggest that this difference is due to lower V diffusivity at general GBs in Cu, compared to Nb. The lower V diffusivity, in turn, arises from stronger V binding to the boundary, which manifests as a greater equilibrium GB concentration as well as a higher activation energy for GB diffusion.

引用次数: 0

Evaluating neon ions as an alternative to gallium in micro cantilevers fracture testing

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-16 DOI: 10.1016/j.scriptamat.2024.116509

Eloho Okotete , Stefan Mück , Subin Lee , Christoph Kirchlechner

The influence of neon ions at the notch front as well as of annealing heat treatments on the fracture toughness of single crystalline silicon was investigated via microcantilever fracture testing. Using in situ scanning electron microscope deformation, the fracture toughness of the neon-notched cantilevers after annealing was measured, resulting in an average value of 1.0 MPa m^0.5, proving that chemically inert gas ions can result in similar fracture toughness values as with Ga FIBs. However, Ne bubble formation was identified as substantial source of errors and we advise caution when interpreting fracture toughness measurements when using Ne as chemically inert ion species for notching.

引用次数: 0

Transport properties of two-dimensional electron gas generated at LaAlO3/TiO2 bilayer interfaces

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-15 DOI: 10.1016/j.scriptamat.2024.116512

Hong Yan, Zhaoting Zhang, Jiaxin Lü, Jijun Yun, Shuanhu Wang, Kexin Jin

The two-dimensional electron gas (2DEG) at oxide heterointerface is particularly interesting for achieving abundant exotic physical properties. Herein, we report a 2DEG generated at the interfaces of amorphous-LaAlO₃/TiO₂ (a-LAO/TiO₂) thin film heterostructures. Highly metallic interfaces are obtained for heterostructures with a-LAO and TiO₂ layers that reach 2 nm and 5 nm, respectively. A high carrier density of ∼10¹⁴ cm^-2 and low mobility of ∼10 cm²V^-1s^-1 were achieved. Also, unique negative magnetoresistance is detected in the 2DEG, arising from the weak localization mechanism. The discovery creates a new path to exploring the physics of low-dimensional oxide electronics and facilitates the integration of 2DEG with functional materials for multilayer interfaces.

引用次数: 0

The microstructures and electrochemical behaviors of new AB4 type RE-Ti-Mg-Ni based superlattice negative electrodes

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia

Pub Date : 2024-12-13 DOI: 10.1016/j.scriptamat.2024.116508

Jianyi Xu , Zhaozhe Ren , He Mi , Feng Hu , Guofang Zhang , Xin Zhao , Dandan ke , Zeming Yuan

In this study, new AB₄ type superlattice negative electrodes were developed with the elemental composition of La_0.8-xTi_xMg_0.2Ni_3.96 (x = 0–0.5) through a process involving induction melting followed by annealing. A thorough investigation was conducted into the microstructure and electrochemical properties. The XRD analysis shows that the x = 0 alloy contained AB₄ and 3R-A₅B₁₉ phases. After partial substitution of Ti 2H-A₅B₁₉ phase appeared, with Ti₂Ni phase forming when x ≥ 0.3. Ti addition causes a preliminary rise followed by a decline in the quantity of the AB₄ phase, a reduction in the amount of 3R-A₅B₁₉ phase, and a steady increase in the levels of 2H-A₅B₁₉ and Ti₂Ni phases. Electrochemical tests revealed the maximum discharge capacity decreases, while the capacity retention rises. Moreover, the high-rate discharge ability falls as Ti substitution increases. The investigations reveal that the transfer of charge taking place on the alloy's surface significantly influences the kinetic properties of all sample electrodes.

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引用次数: 0

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