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Characterisation of MX precipitate density and irradiation hardening in advanced reduced-activation ferritic-martensitic fusion steels 高级低活化铁素体-马氏体熔合钢中MX沉淀密度和辐照硬化的表征
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-13 DOI: 10.1016/j.mtla.2025.102635
James S.K.L. Gibson , Alex Carruthers , Benjamin R.S. Evans , Jack Haley , Slava Kuksenko , Kay Song , Luke Hewitt , Stephen Jones , Shahin Mehraban , Nicholas Lavery , David Bowden
Reduced activation ferritic-martensitic (RAFM) steels are a recent class of radiation-resistant steels designed for the structural components of power-producing fusion reactors. In this work an advanced (A)RAFM steel has been developed with superior radiation hardening resistance with respect to the EUROFER-97 upon which it was based.
4D-STEM (scanning transmission electron microscopy) has been combined with a novel processing methodology to visualise all the fine MX precipitates that led to this outstanding radiation hardening resistance and determine a precipitate density of 5 × 1022 m-3.
Self-ion irradiation campaigns up to 100 dpa at 350 °C show an increase in hardness of only 35 % at 10 dpa where EUROFER-97 exhibits a near-doubling of its hardness. The initial work hardening response, as determined from spherical nanoindentation, is unchanged between the as-received state and irradiation to 100 dpa, implying that the alloy should retain reasonable ductility under these conditions. Proton irradiations at 250 °C, 350 °C, and 400 °C demonstrate that the low temperature hardening embrittlement threshold of the new steel is largely unaffected, increasing by only ∼50 °C with respect to EUROFER-97.
A refinement of alloy chemistry and a subsequent modification of the thermomechanical treatments to favour MX precipitates is therefore a very promising strategy for the further development of fusion steels.
低活化铁素体-马氏体(RAFM)钢是一种新型的抗辐射钢,主要用于核聚变反应堆的结构部件。在这项工作中,开发了一种先进的(A)RAFM钢,相对于其基础的EUROFER-97具有优异的抗辐射硬化性。4D-STEM(扫描透射电子显微镜)与一种新颖的处理方法相结合,可以可视化所有细小的MX沉淀,这些沉淀导致了出色的抗辐射硬化性,并确定了5 × 1022 m-3的沉淀密度。在350℃下高达100 dpa的自离子辐照运动显示,在10 dpa时硬度仅增加35%,而EUROFER-97的硬度几乎增加了一倍。由球形纳米压痕测定的初始加工硬化响应在接收状态和辐照至100 dpa之间没有变化,这意味着合金在这些条件下应保持合理的延展性。250°C、350°C和400°C的质子辐照表明,新钢的低温硬化脆化阈值基本上不受影响,与EUROFER-97相比仅提高了~ 50°C。因此,合金化学的改进和随后的热处理方法的改进有利于MX沉淀,是进一步发展熔合钢的一个非常有前途的策略。
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引用次数: 0
Cellulose nanofibers in ice: microstructural effects on mechanical response 冰中的纤维素纳米纤维:微观结构对力学响应的影响
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-12 DOI: 10.1016/j.mtla.2025.102633
Emily Asenath-Smith , Kiera L. Thompson Towell , Matthew A. Fort, Nicholas P. Wilder
Abundant in cold regions, ice rarely exists as a pure single-phase compound but rather contains insoluble particulates and fibrous matter from the local environment. Such second phase materials can drastically change the formation mechanism, microstructure, and properties of the resulting composite ice. Cellulose nanofibers (CNFs) were investigated for their ability to strengthen ice and studied with optical microscopy, ice fabric analysis, and mechanical property measurements. With increasing concentration, the CNFs bridged across grain boundaries and were distributed throughout grain interiors, forming a percolated network within the ice microstructure. The CNFs in ice were found to modify the ice fabric from an S2 classification to one with an irregular distribution of c-axis for intermediate CNF wt%, and appeared to shift back towards S2 as CNF was increased to 1.0 wt%. The addition of up to 1.0 wt% CNF to ice increased the flexural strength from 3.1 MPa to 5.8 MPa in 3-point bending and from 1.7 MPa to 3.8 MPa in 4-point bending, while increasing the compressive strength from 2.6 MPa to 7.2 MPa. The increase in strength correlated with ductility imparted by the CNFs which thereby increased the apparent toughness by a factor of 2 – 10 compared to pure ice. These insights reveal the mechanistic response of CNFs in ice and open future avenues that utilize ice as a high-performance material for structures in cold regions.
在寒冷地区,冰很少以纯单相化合物的形式存在,而是含有来自当地环境的不溶性颗粒和纤维物质。这种第二相材料可以极大地改变合成冰的形成机制、微观结构和性能。研究了纤维素纳米纤维(CNFs)增强冰的能力,并通过光学显微镜、冰织物分析和力学性能测量进行了研究。随着浓度的增加,CNFs跨越晶界,分布在晶粒内部,在冰微观结构内形成一个渗透网络。研究发现,在中间CNF wt%时,冰中的CNF将冰结构从S2分类改变为不规则的c轴分布,当CNF增加到1.0 wt%时,冰结构似乎又向S2方向移动。在冰中加入1.0 wt%的CNF, 3点弯曲强度从3.1 MPa增加到5.8 MPa, 4点弯曲强度从1.7 MPa增加到3.8 MPa,抗压强度从2.6 MPa增加到7.2 MPa。强度的增加与CNFs所赋予的延性有关,因此与纯冰相比,CNFs的表观韧性增加了2 - 10倍。这些见解揭示了CNFs在冰中的机制响应,并开辟了利用冰作为寒冷地区结构的高性能材料的未来途径。
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引用次数: 0
Orientation-dependent wetting behavior of molten Al on α-Al2O3 in high magnetic fields 高磁场下Al熔液对α-Al2O3的取向依赖性润湿行为
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-11 DOI: 10.1016/j.mtla.2025.102631
Peng Miao , Tie Liu , Shuoxi Yang , Zhengyang Lu , Weibin Cui , Shuang Yuan , Chao Li , Qiang Wang
High magnetic fields (HMFs) can markedly influence wetting behavior by modifying the solid–liquid interfacial structure. However, their effects on the wettability of systems with different interfacial structures remain unexplored. We investigated the wetting behavior of molten Al on α-Al2O3 with different orientations under HMFs and elucidated the underlying wetting mechanism. The Al/R-plane α-Al2O3 system showed the best wettability, with the contact angle reduced by 49° at 6 T. Structural analyses revealed that HMFs induce ordered Al layers epitaxially grown on the substrate (up to ∼13 layers on the R-plane), driving the interface toward near-coherency and reducing the solid–liquid interfacial energy, thereby significantly enhancing wettability. In addition, orientation-dependent differences in substrate surface structures produce distinct interfacial structures with molten Al, resulting in different wettability. These results highlight a new strategy for tailoring wettability and interfacial properties via magnetic field-substrate orientation coupling.
强磁场可以通过改变固液界面结构显著影响润湿行为。然而,它们对具有不同界面结构的体系的润湿性的影响仍未被探索。研究了熔融Al在HMFs作用下对不同取向α-Al2O3的润湿行为,并阐明了其润湿机理。Al/ r面α-Al2O3体系表现出最好的润湿性,在6 t时接触角减小了49°,结构分析表明,HMFs诱导有序的Al层外延生长在衬底上(r面多达13层),推动界面向近相干方向发展,降低了固液界面能,从而显著提高了润湿性。此外,取向相关的衬底表面结构差异与熔融Al产生不同的界面结构,从而导致不同的润湿性。这些结果强调了通过磁场-衬底取向耦合来调整润湿性和界面性能的新策略。
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引用次数: 0
Two effects of AlF3 in aluminothermic reduction of magnesia AlF3在镁铝热还原中的两种作用
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-11 DOI: 10.1016/j.mtla.2025.102632
Yun JIANG , Boyang ZHAO , Yuqin LIU
Fluoride is a common additive in the thermal reduction process for metallic magnesium. In the work, aluminum fluoride (AlF3) was used in the process of vacuum aluminothermic reduction of magnesia. The process produced the qualified Mg product. Two effects of AlF3 were reported. First, AlF3 significantly accelerates to generate Mg vapor and magnesium aluminate spinel (MA-spinel). Second, it prevents alumina forming. In the presence of 3 % AlF3, the content of the MA-spinel phase in slags could reach 97 %. The reasons behind are suggested. AlF3 offers F- ions to distort the magnesia lattice throughout entire sample, and to make cations’ detachment and substitution easily to accelerate the generation of Mg vapor and MA-spinel. F- ions also help to avoid the rearrangement of oxygen sublattice in partial sample, which prevents the formation of alumina. The introduction of F- ions could change the activation energy allocation during the phase transformation.
氟化物是金属镁热还原过程中常用的添加剂。本研究将氟化铝(AlF3)应用于真空铝热还原氧化镁的工艺中。该工艺生产出合格的镁产品。报道了AlF3的两种作用。首先,AlF3显著加速生成Mg蒸气和铝酸镁尖晶石(MA-spinel)。其次,它可以防止氧化铝形成。当AlF3含量为3%时,炉渣中ma尖晶石相的含量可达97%。提出了背后的原因。AlF3提供的F离子扭曲了整个样品的镁晶格,使阳离子容易脱离和取代,加速了Mg蒸气和ma尖晶石的生成。氟离子还有助于避免部分样品中氧亚晶格的重排,从而阻止氧化铝的形成。F离子的引入改变了相变过程中活化能的分配。
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引用次数: 0
Global sensitivity analysis for microstructural features to variability in elemental concentration of additively manufactured alloy 718 增材制造718合金微观组织特征对元素浓度变化的全局敏感性分析
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-10 DOI: 10.1016/j.mtla.2025.102630
Hasan Al Jame , Jiayun Shao , Jixuan Dong , Pranav Karve , Kyle Mumm , Bryan A. Webler , Anthony D. Rollett , Sankaran Mahadevan , Tao Sun , S. Mohadeseh Taheri-Mousavi
Alloy 718 (UNS N07718) is a widely utilized additively manufacturable superalloy for extreme-temperature applications for its superior mechanical properties. However, laser powder bed fusion of alloy 718 can exhibit yield strength variability of almost 400 MPa. Compositional variation during processing is one of the critical driving factors for such variation. Here, we combined validated calculation of phase diagrams (CALPHAD)-based integrated computational materials engineering (ICME) techniques to simulate microstructural features in as-built and fully-aged equilibrium conditions at 650 °C (service temperature) of alloy 718. To initially validate the simulations, predicted phase fractions were benchmarked against high-energy X-ray diffraction data of multiple vendor-sourced alloy 718 samples and literature data, showing strong agreement. The strengthening phases γ′ and γ″, exhibit substantial variation (∼18 and 14 mole %, respectively), despite the elemental concentrations being adjusted within standardized ranges. Surrogate models were developed to conduct global sensitivity analysis using Sobol’ indices to identify the key elements contributing to overall phase % variabilities. Al emerged as the most influential element, with a 1.29 mole % of variation accounting for 86.24 % of γ′ phase % variability in aged condition. Remarkably, γ″, despite being Nb-based phase, showed significantly higher sensitivity (85.55 %) to Al than Nb. Our investigation revealed that increasing Al% lowers the γ″ solvus temperature, thus destabilizes it, and also suppresses its precipitation by significantly reducing Nb mobility in the matrix. By quantifying the sensitivity of phase fractions governing properties to compositional variability, this study offers critical guidelines for designing and certifying robust, reliable alloys by controlling compositions.
718合金(UNS N07718)是一种广泛使用的增材制造高温合金,具有优异的机械性能,可用于极端温度应用。然而,激光粉末床熔合718合金的屈服强度变化接近400mpa。加工过程中的成分变化是造成这种变化的关键驱动因素之一。在这里,我们结合了基于相图计算(CALPHAD)的集成计算材料工程(ICME)技术,模拟了718合金在650°C(使用温度)的制造和完全时效平衡条件下的显微组织特征。为了初步验证模拟,预测的相分数与多个供应商提供的合金718样品的高能x射线衍射数据和文献数据进行了基准测试,结果显示出很强的一致性。尽管元素浓度在标准范围内调整,强化相γ′和γ″仍表现出显著的变化(分别为~ 18和14摩尔%)。开发代理模型,使用Sobol指数进行全局敏感性分析,以确定影响总体相位%变异的关键因素。Al是影响最大的元素,其1.29摩尔%的变异占老化条件下γ′相%变异的86.24%。值得注意的是,γ″虽然是Nb基相,但对Al的敏感性(85.55%)明显高于Nb。我们的研究表明,增加Al%降低了γ″的溶剂温度,从而使其不稳定,并通过显著降低Nb在基体中的迁移率来抑制其析出。通过量化相分数控制性能对成分变化的敏感性,本研究为通过控制成分来设计和认证坚固可靠的合金提供了关键指导。
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引用次数: 0
An in-situ synchrotron study of austenite reversion kinetics and elemental partitioning during intercritical annealing 临界间退火过程中奥氏体还原动力学和元素分配的原位同步加速器研究
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-08 DOI: 10.1016/j.mtla.2025.102627
Subhas Bhunia , Poornachandra Satyampet , M.P. Gururajan , Shubo Wang , Harishchandra Singh , Al Rahemtulla , Prita Pant
In this study, we examine the effect of two different initial microstructures of a medium manganese steel on the kinetics of austenite reversion and elemental partitioning during intercritical annealing, using in-situ synchrotron and ex-situ scanning transmission electron microscopy (STEM)/atom probe tomography (APT) based elemental mapping. These microstructures are tempered-cold-rolled (TCR) and hot-rolled-quenched (HRQ) martensite. The HRQ specimen exhibits faster kinetics of austenite reversion and higher austenite volume fraction than the TCR specimen during intercritical annealing. However, after cooling to room temperature, HRQ specimen had less retained austenite than the TCR specimen. To identify the reasons behind different austenite stability, detailed analysis of elemental partitioning was carried out using synchrotron data for lattice parameters, as well as elemental mapping using STEM and APT. For the HRQ specimen, austenite growth during the first 20 min. occurs by carbon (C) partitioning, with increased manganese (Mn) concentration near the austenite–ferrite interface. In contrast, for the TCR specimen, growth of austenite is accompanied by C and Mn partitioning from the initial stage itself. These observations confirm that for the first 20 min. austenite growth occurs by the negligible partitioning local equilibrium (NPLE) mechanism for HRQ, and subsequently changes to partitioning local equilibrium (PLE), while the growth mode is PLE for TCR sample throughout intercritical annealing. Higher C and Mn enrichment leads to greater thermal stability of austenite in the TCR specimen. Hence the TCR sample has greater volume fraction of retained austenite for various annealing durations.
在这项研究中,我们使用原位同步加速器和非原位扫描透射电子显微镜(STEM)/原子探针断层扫描(APT)为基础的元素映射,研究了中锰钢的两种不同初始微观结构对临界退火过程中奥氏体还原和元素分配动力学的影响。这些组织是回火冷轧(TCR)和热轧淬火(HRQ)马氏体。在临界间退火过程中,HRQ试样比TCR试样表现出更快的奥氏体还原动力学和更高的奥氏体体积分数。然而,冷却至室温后,HRQ试样的奥氏体残留比TCR试样少。为了确定奥氏体稳定性差异背后的原因,使用同步辐射数据对晶格参数进行了详细的元素分配分析,并使用STEM和APT进行了元素映射。对于HRQ样品,奥氏体在前20分钟内通过碳(C)分配生长,随着奥氏体-铁素体界面附近锰(Mn)浓度的增加。相反,对于TCR试样,奥氏体的生长从初始阶段就伴随着C和Mn的分配。这些观察结果证实,在HRQ的前20分钟,奥氏体的生长以可忽略的分配局部平衡(NPLE)机制进行,随后转变为分配局部平衡(PLE)机制,而TCR样品在整个临界间退火过程中以PLE模式生长。较高的C和Mn富集导致TCR试样中奥氏体的热稳定性提高。因此,在不同的退火时间下,TCR样品具有较大的残余奥氏体体积分数。
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引用次数: 0
Enhanced dry and current-carrying friction properties of cold-sprayed Ti2AlC reinforced CuCrZr coating 冷喷涂Ti2AlC增强CuCrZr涂层的干摩擦性能和载流摩擦性能
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-07 DOI: 10.1016/j.mtla.2025.102626
Kang Yang , Xiankun Wu , Zitao Jiang , Wei Zhou , Gobinda Gyawali , Shihong Zhang , Wenya Li
This study developed CuCrZr-Ti2AlC composite coatings via cold spraying to enhance the performance of copper alloy guide rails. The cold spray process was specifically selected to prevent the oxidation and decomposition of the MAX phase Ti2AlC. Composite powders with different Ti2AlC contents were prepared by mechanical alloying. The results indicate that the coating with 20 wt.%Ti2AlC achieves an optimal balance of a hardness of 173.40 HV0.5 and high electrical conductivity (6.62 μΩ·cm). Its specific wear rate under dry sliding was 1.30 × 10–4 mm3/(N·m), which is 86.4 % lower than that of the pure CuCrZr coating (9.59 × 10–4 mm3/(N·m)). Furthermore, under current loading, the wear rate of the 20 wt.%Ti2AlC coating (1.63 × 10–4 mm3/(N·m)) was significantly lower than that of the 30 wt.%Ti2AlC coating (3.51 × 10–4 mm3/(N·m)). The CuCrZr-20 wt.%Ti2AlC composite coating is thus a promising material for applications requiring simultaneous wear resistance and conductivity.
采用冷喷涂技术制备CuCrZr-Ti2AlC复合涂层,以提高铜合金导轨的性能。为了防止MAX相Ti2AlC的氧化和分解,特别选择了冷喷涂工艺。采用机械合金化法制备了不同Ti2AlC含量的复合粉末。结果表明,当Ti2AlC含量为20wt .%时,涂层的硬度达到173.40 HV0.5,电导率达到6.62 μΩ·cm。干滑动比磨损率为1.30 × 10-4 mm3/(N·m),比纯CuCrZr涂层(9.59 × 10-4 mm3/(N·m))降低86.4%。此外,在电流加载下,20wt .%Ti2AlC涂层的磨损率(1.63 × 10-4 mm3/(N·m))显著低于30wt .%Ti2AlC涂层的磨损率(3.51 × 10-4 mm3/(N·m))。因此,cucrzr - 20wt .%Ti2AlC复合涂层是一种很有前途的材料,适用于要求同时具有耐磨性和导电性的应用。
{"title":"Enhanced dry and current-carrying friction properties of cold-sprayed Ti2AlC reinforced CuCrZr coating","authors":"Kang Yang ,&nbsp;Xiankun Wu ,&nbsp;Zitao Jiang ,&nbsp;Wei Zhou ,&nbsp;Gobinda Gyawali ,&nbsp;Shihong Zhang ,&nbsp;Wenya Li","doi":"10.1016/j.mtla.2025.102626","DOIUrl":"10.1016/j.mtla.2025.102626","url":null,"abstract":"<div><div>This study developed CuCrZr-Ti<sub>2</sub>AlC composite coatings via cold spraying to enhance the performance of copper alloy guide rails. The cold spray process was specifically selected to prevent the oxidation and decomposition of the MAX phase Ti<sub>2</sub>AlC. Composite powders with different Ti<sub>2</sub>AlC contents were prepared by mechanical alloying. The results indicate that the coating with 20 <em>wt</em>.%Ti<sub>2</sub>AlC achieves an optimal balance of a hardness of 173.40 HV<sub>0.5</sub> and high electrical conductivity (6.62 μΩ·cm). Its specific wear rate under dry sliding was 1.30 × 10<sup>–4</sup> mm<sup>3</sup>/(N·m), which is 86.4 % lower than that of the pure CuCrZr coating (9.59 × 10<sup>–4</sup> mm<sup>3</sup>/(N·m)). Furthermore, under current loading, the wear rate of the 20 <em>wt</em>.%Ti<sub>2</sub>AlC coating (1.63 × 10<sup>–4</sup> mm<sup>3</sup>/(N·m)) was significantly lower than that of the 30 <em>wt</em>.%Ti<sub>2</sub>AlC coating (3.51 × 10<sup>–4</sup> mm<sup>3</sup>/(N·m)). The CuCrZr-20 <em>wt</em>.%Ti<sub>2</sub>AlC composite coating is thus a promising material for applications requiring simultaneous wear resistance and conductivity.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"45 ","pages":"Article 102626"},"PeriodicalIF":2.9,"publicationDate":"2025-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystallographic texture dependence of biocompatibility in a Ti35Zr35Nb15Mo5Fe5Cr5 complex concentrated alloy Ti35Zr35Nb15Mo5Fe5Cr5络合浓缩合金生物相容性的晶体织构依赖性
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-06 DOI: 10.1016/j.mtla.2025.102623
Dharmendra K. Yadav , Deepak Paliwal , Surya D. Yadav , Subhasis Sinha
In the present work, the crystallographic texture dependence of the biocompatibility of a novel Ti35Zr35Nb15Mo5Fe5Cr5 complex concentrated alloy (CCA) in the as-cast and annealed states was investigated. In-vitro cell culture experiments using MG-63 cells demonstrated that the cell viability and proliferation of the annealed CCA were superior compared to the as-cast CCA. SEM images also showed higher cell adhesion (higher number density of adhered cells) on the annealed CCA sample. EBSD and X-ray texture measurements were performed to obtain the micro- and macro-texture evolution, respectively, in order to unravel the effect of crystallographic texture on the biocompatibility behavior of the as-cast and annealed CCA samples. The higher biocompatibility in the annealed specimen is related to texture evolution during annealing. While standard texture components were not distinctly observed in the as-cast specimen except some rotated Cube component, the annealed specimen showed the presence of γ-fiber, ε-fiber, and Brass components in addition to Cube component. The cell adhesion is sensitive to texture, with a greater number of cells attaching to grains that are crystallographically oriented with their normal to the surface exposed to the cells. This preferential cell attachment along accounts for the enhanced biocompatibility of the annealed CCA specimen as compared to the as-cast specimen.
本文研究了一种新型Ti35Zr35Nb15Mo5Fe5Cr5复合浓缩合金(CCA)在铸态和退火态下生物相容性的晶体织构依赖性。MG-63细胞体外培养实验表明,退火后的CCA细胞活力和增殖能力优于铸态CCA。扫描电镜图像还显示,在退火的CCA样品上有更高的细胞黏附(黏附细胞的数量密度更高)。为了揭示晶体织构对铸态和退火态CCA样品生物相容性行为的影响,采用EBSD和x射线织构测量分别获得微观和宏观织构演化。退火后的样品具有较高的生物相容性,这与退火过程中织构的演变有关。铸态试样中除了一些旋转的立方织构成分外,没有明显的标准织构成分,而退火试样中除了立方织构成分外,还存在γ-纤维、ε-纤维和黄铜织构成分。细胞粘附对纹理很敏感,有更多的细胞附着在晶粒上,这些晶粒在晶体学上是取向的,它们的正常面暴露在细胞表面。与铸态样品相比,这种优先的细胞附着说明了退火后的CCA样品的生物相容性增强。
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引用次数: 0
Impact-loading-driven dislocation-to-twinning transition in BCC tungsten: A generalized stacking fault enthalpy criterion BCC钨中冲击载荷驱动的位错到孪晶转变:一个广义的层错焓准则
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-06 DOI: 10.1016/j.mtla.2025.102625
Jingwen Li , Cai Chen , Qiankun Tan , Xiaoxiao Ma , Jinglian Du , Jianwei Xiao , Zhonghua Du , Chuang Deng
Body-centered cubic (BCC) tungsten (W) exhibits a striking transition in deformation mechanisms under impact loading, yet the underlying criteria governing the competition between dislocation slip and twinning remain unresolved. Here, we combine molecular dynamics (MD) simulations and density functional theory (DFT) calculations to establish a stress-dependent framework for this mechanistic crossover. At low impact velocities (250–500 m/s), plasticity is mediated by dislocation activity, while twinning emerges as the plastic mechanism at velocities above 500 m/s. At 500 m/s impact velocity, twinning nucleation occurs via heterogeneous (dislocation-mediated) mechanisms, while at 2000 m/s, homogeneous nucleation becomes active through local phase transition mediation. DFT and MD reveal that compressive stress stabilizes metastable two-layer near-isosceles twin boundaries (near-isoTBs), reducing the energy barrier for twinning nucleation by altering the generalized stacking fault enthalpy (GSFH) profile. Stress-driven disconnection dissociation further governs twin growth kinetics. These findings quantitatively link intrinsic material properties (GSFH) and extrinsic loading conditions (stress states) to deformation pathways, providing design principles for BCC metals in high-strain-rate applications such as penetrators and impact-resistant structures.
体心立方(BCC)钨(W)在冲击载荷下表现出惊人的变形机制转变,但控制位错滑移和孪晶之间竞争的潜在标准仍未解决。在这里,我们将分子动力学(MD)模拟和密度泛函理论(DFT)计算结合起来,建立了这种机制交叉的应力依赖框架。在低冲击速度下(250 ~ 500 m/s),塑性是由位错活动介导的,而在500 m/s以上的冲击速度下,塑性机制以孪晶为主。在500 m/s的冲击速度下,孪晶核通过异质(位错介导)机制发生,而在2000 m/s的冲击速度下,均质核通过局部相变中介变得活跃。DFT和MD表明,压缩应力稳定了亚稳两层近等腰孪晶界(near-isoTBs),通过改变广义层错焓(GSFH)分布降低了孪晶核成核的能垒。应力驱动的断裂解离进一步控制孪晶生长动力学。这些发现定量地将材料的内在特性(GSFH)和外在加载条件(应力状态)与变形路径联系起来,为高应变率应用(如穿孔弹和抗冲击结构)中的BCC金属提供了设计原则。
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引用次数: 0
Polyanionic non-collagenous proteins and their analogues promote artificial mineralization of embryonic mouse bone 聚阴离子非胶原蛋白及其类似物促进胚胎小鼠骨的人工矿化
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-04 DOI: 10.1016/j.mtla.2025.102622
Muhammad Wisnugroho , Fraser H.J. Laidlaw , Andrei V. Gromov , Colin Farquharson , Fabio Nudelman
Non-collagenous proteins (NCPs) are specialized biomacromolecules within the extracellular matrix (ECM) that regulate the mineralization of calcified tissues, such as bone and dentin. Numerous in vitro studies have demonstrated that natural polyanionic NCPs and their analogues can mediate intrafibrillar mineralization, characterized by the infiltration of apatite minerals into collagen fibrils. However, these studies primarily utilize self-assembled collagen fibrils or demineralized mature tissues, leaving it unclear whether pristine embryonic bone ECM at a developmental stage permissive to mineral deposition can regulate intrafibrillar mineralization independently or requires polyanionic NCP substitutes to promote the process artificially. To address this, we employed an ex vivo model of endochondral ossification using metatarsals isolated from 15-day-old embryonic mice (E15). In addition to a supersaturated calcium (Ca) and inorganic phosphate (Pi) medium, we introduced fetuin-A, a native polyanionic NCP or poly-DL-aspartic acid (pAsp), commonly used as an NCP substitute. The incorporation of either additive was essential for the effective mineralization of embryonic metatarsals. Both fetuin-A and pAsp played a direct role in facilitating the infiltration of Ca-Pi precursors into the avascular cartilaginous matrix. Raman spectroscopy and electron microscopy confirmed the formation of hydroxyapatite (HAp) exhibiting diverse levels of crystallinity, with fetuin-A supplementation resulting in the greatest HAp accumulation within the rudiments. HAp was localized in the perichondrium, a region conducive to initial mineralization and enriched with a fibrillar network of collagen types I and II. Three-dimensional reconstructions implementing Dijkstra’s algorithm revealed the association between HAp and collagen fibrils either organized in an intrafibrillar, extrafibrillar, or combined arrangement.
非胶原蛋白(ncp)是细胞外基质(ECM)中特殊的生物大分子,可调节钙化组织(如骨和牙本质)的矿化。大量体外研究表明,天然多阴离子ncp及其类似物可以介导纤维内矿化,其特征是磷灰石矿物渗入胶原原纤维。然而,这些研究主要利用自组装的胶原原纤维或去矿化的成熟组织,尚不清楚处于允许矿物沉积的发育阶段的原始胚胎骨ECM是否可以独立调节纤维内矿化,还是需要聚阴离子NCP替代品人工促进这一过程。为了解决这个问题,我们采用了一种体外软骨内成骨模型,使用从15日龄胚胎小鼠(E15)中分离的跖骨。除了过饱和钙(Ca)和无机磷酸盐(Pi)培养基外,我们还引入了fetuin-A,一种天然聚阴离子NCP或聚dl -天冬氨酸(pAsp),通常用作NCP替代品。这两种添加剂的掺入对于胚胎跖骨的有效矿化是必不可少的。胎蛋白a和pAsp都在促进Ca-Pi前体向无血管软骨基质的浸润中起直接作用。拉曼光谱和电子显微镜证实了羟基磷灰石(HAp)的形成,表现出不同程度的结晶度,胎儿素a的补充导致了雏形中最大的HAp积累。HAp定位于软骨膜,这是一个有利于初始矿化的区域,富含I型和II型胶原的纤维网络。采用Dijkstra算法的三维重建揭示了HAp和胶原原纤维之间的联系,胶原原纤维以纤维内、纤维外或组合排列。
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