Acta Materialia最新文献_第3页

Deep learning accelerated phase prediction of refractory multi-principal element alloys 深度学习加速难熔多元素合金的相位预测

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-12 DOI: 10.1016/j.actamat.2024.120558

Ali K. Shargh , Christopher D. Stiles , Jaafar A. El-Awady

{"title":"Deep learning accelerated phase prediction of refractory multi-principal element alloys","authors":"Ali K. Shargh , Christopher D. Stiles , Jaafar A. El-Awady","doi":"10.1016/j.actamat.2024.120558","DOIUrl":"10.1016/j.actamat.2024.120558","url":null,"abstract":"<div><div>The tunability of the mechanical properties of refractory multi-principal-element alloys (RMPEAs) makes them attractive for numerous high-temperature applications. It is well-established that the phase stability of RMPEAs controls their mechanical properties. In this study, we develop a deep learning framework that is trained on a CALPHAD-derived database and is predictive of RMPEA phases with high accuracy up to eight phases within the elemental space of Ti, Fe, Al, V, Ni, Nb, and Zr with an accuracy of approximately 90 %. We further investigate the causes for the low out-of-domain performance of the deep learning models in predicting phases of RMPEAs with new elemental sets and propose a strategy to mitigate this performance shortfall. While our proposed approach shows marginal improvement in accurately predicting the phases of RMPEAs with new elemental sets, we should emphasize that overcoming the out-of-domain problem remains largely challenging, particularly in materials science where there are missing elements or absent material classes in training data hindering predictions, thus slowing the discovery of new potential materials. Predicting phase competition is inherently difficult due to the very small differences in free energies (on the order of meV/atom) that govern competing phases. Current deep learning models, including ours, face significant limitations in capturing these subtle energy differences. Accordingly, more substantial future work is needed to fully address this challenge and achieve robust out-of-domain predictions in complex alloy systems.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120558"},"PeriodicalIF":8.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Mixed atomic-scale electronic configuration as a strategy to avoid cocatalyst utilization in photocatalysis by high-entropy oxides 混合原子尺度电子构型是避免光催化过程中使用共催化剂的一种策略

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-10 DOI: 10.1016/j.actamat.2024.120559

Jacqueline Hidalgo-Jiménez , Taner Akbay , Xavier Sauvage , Tatsumi Ishihara , Kaveh Edalati

{"title":"Mixed atomic-scale electronic configuration as a strategy to avoid cocatalyst utilization in photocatalysis by high-entropy oxides","authors":"Jacqueline Hidalgo-Jiménez , Taner Akbay , Xavier Sauvage , Tatsumi Ishihara , Kaveh Edalati","doi":"10.1016/j.actamat.2024.120559","DOIUrl":"10.1016/j.actamat.2024.120559","url":null,"abstract":"<div><div>To enhance the activity of photocatalysts for hydrogen production and CO<sub>2</sub> conversion, noble metal cocatalysts as electron traps and/or acceptors such as platinum or gold are usually utilized. This study hypothesizes that mixing elements with heterogeneous electronic configurations and diverse electronegativities can provide both acceptor and donor sites of electrons to avoid using cocatalysts. This hypothesis was examined in high-entropy oxides (HEOs), which show high flexibility for atomic-scale compositional changes by keeping their single- or dual-phase structure. A new high-entropy oxide was designed and synthesized by mixing elements with an empty d orbital (titanium, zirconium, niobium and tantalum) and a fully occupied d orbital (gallium). The oxide, synthesized by high-pressure torsion followed by calcination, had two phases (88 wt% orthorhombic (<em>Pbcn</em>) and 12 wt% monoclinic (<em>I2/m</em>)) with an overall composition of TiZrNbTaGaO<sub>10.5</sub>. It exhibited UV and visible light absorbance with a low bandgap of 2.5 eV, low radiative electron-hole recombination and oxygen vacancy generation due to mixed valences of cations. It successfully acted as a photocatalyst for CO and CH<sub>4</sub> production from CO<sub>2</sub> conversion and hydrogen production from water splitting without cocatalyst addition. These findings confirm that introducing heterogeneous electronic configurations and electronegativities can be considered as a design criterion to avoid the need to use cocatalysts.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120559"},"PeriodicalIF":8.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Non-Arrhenius grain growth in SrTiO3: Impact on grain boundary conductivity and segregation SrTiO3 中的非阿伦尼乌斯晶粒生长：对晶界传导性和偏析的影响

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2024-11-10 DOI: 10.1016/j.actamat.2024.120560

M. Pascal Zahler, Dylan Jennings, Olivier Guillon, Wolfgang Rheinheimer

{"title":"Non-Arrhenius grain growth in SrTiO3: Impact on grain boundary conductivity and segregation","authors":"M. Pascal Zahler, Dylan Jennings, Olivier Guillon, Wolfgang Rheinheimer","doi":"10.1016/j.actamat.2024.120560","DOIUrl":"https://doi.org/10.1016/j.actamat.2024.120560","url":null,"abstract":"In this study, a correlation between the conductivity, space charge layers, solute drag and non-Arrhenius grain growth in SrTiO<sub>3</sub> was investigated. Strontium titante is known for its non-Arrhenius grain growth where grain growth rates decrease by orders of magnitude with increasing temperatures between 1350°C and 1425°C. Here, undoped SrTiO<sub>3</sub> was sintered and annealed at temperatures below and above the grain growth transition. The influence of the annealing temperature and time on the conductivity and space charge layers at grain boundaries (GBs) in SrTiO<sub>3</sub> was investigated by electrochemical impedance spectroscopy (EIS). STEM-EDS analysis indicates the presence of GBs with qualitative different cationic segregation in SrTiO<sub>3</sub>. A distortion of the GB semi-circle in the impedance plots was found which was attributed to the presence of multiple GB types with different electric properties and space charge layers. The presence of two GB types as indicated by impedance analysis corresponds well with previous results, where solute drag and segregation was supposed to cause the non-Arrhenius grain growth behavior of SrTiO<sub>3</sub>.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"8 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Architected materials informatics: Construction and application to cellular-structured heat sink optimization 建筑材料信息学：细胞结构散热器优化的构建与应用

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-10 DOI: 10.1016/j.actamat.2024.120557

Asuka Suzuki , Hideto Nakatani , Soya Nakagawa , Makoto Kobashi , Yoshiyuki Tsuji

{"title":"Architected materials informatics: Construction and application to cellular-structured heat sink optimization","authors":"Asuka Suzuki , Hideto Nakatani , Soya Nakagawa , Makoto Kobashi , Yoshiyuki Tsuji","doi":"10.1016/j.actamat.2024.120557","DOIUrl":"10.1016/j.actamat.2024.120557","url":null,"abstract":"<div><div>Additive manufacturing permits intentionally controlling the geometry of architected materials to achieve desired properties. It is important to design and optimize the geometry of architected materials within a wide search space. This study integrates Voronoi tessellation and informatics to construct architected materials informatics for geometry optimization. Voronoi tessellation can design diverse architected materials by dividing a design space with bisecting planes between arbitrarily arranged seed points and replacing the bisecting plane edges with solid struts. The neural network surrogate model predicts the properties of the architected materials based on the seed point coordinates and the strut radius. The genetic algorithm inversely analyzes the surrogate model to optimize the seed point coordinates and strut radius directly linked to the optimized architected material geometry. This framework rapidly optimized the geometry of cellular-structured heat sinks, optimally balancing pressure loss and heat transfer (Pareto front) under forced convection. The optimized geometry of the Pareto front was validated using computational fluid dynamics and experiments. In addition, the data obtained during the optimization was analyzed to develop a strategy to improve the pressure loss and heat transfer trade-off. This study provides architected materials informatics framework to optimize the geometry of architected materials for diverse applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120557"},"PeriodicalIF":8.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Origin and fate of loop punching in Mo-5Re alloy Mo-5Re 合金中环冲孔的起源和命运

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-09 DOI: 10.1016/j.actamat.2024.120550

Dewang Cui , Yiwei Wang , Ziqi Cao , Kun He , Xiaoyong Wu , Guang Ran

{"title":"Origin and fate of loop punching in Mo-5Re alloy","authors":"Dewang Cui , Yiwei Wang , Ziqi Cao , Kun He , Xiaoyong Wu , Guang Ran","doi":"10.1016/j.actamat.2024.120550","DOIUrl":"10.1016/j.actamat.2024.120550","url":null,"abstract":"<div><div>Loop punching is the basic physical process of lattice expansion due to the introduction of insoluble gas atoms into the crystalline metals leading to the emission of interstitial atoms and even the formation of prismatic dislocations loops, which therefore dominate the degradation of the material. Despite more than half a century of research, experimentally capturing its fundamental process is still lacking, resulting in known mechanisms being speculated and inferred. Here, we reported for the first time the clearest and most direct experimental details of loop punching and proposed a new mechanism. According to the in-situ experiment, the origin and fate of loop punching were detailed into four stages: incubation, loop punching, synergetic growth, and interaction. At temperatures above ∼ 0.4 T<sub>m</sub>, the nucleation and growth of dislocation loops became completely induced by bubble growth, which provided direct evidence of loop punching. The critical bubble size window for experimentally detectable loop punching was defined and evaluated, showing that it became wider and increased in average value with increasing temperature, which made that the critical energetics required for loop punching were further quantified. Furthermore, the subsequent fate of punched-out loops involved not only their mutual coalescence to form super-large 〈111〉 loops but also interactions with adjacent bubbles, during which the bubbles acted as pinning sites decorating the loop edges and mediating their growth. These results provide a comprehensive new understanding of the loop punching mechanism and promisingly contribute to the development of related theories.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120550"},"PeriodicalIF":8.3,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Cryogenic deformation strengthening mechanisms in FeMnSiNiAl high-entropy alloys 铁锰硅镍铝高熵合金的低温变形强化机制

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-09 DOI: 10.1016/j.actamat.2024.120554

Yang Zuo , Yu Fu , Renlong Xiong , Huabei Peng , Hui Wang , Yuhua Wen , Seon-Gyu Kim , Donghwa Lee , Hyoung Seop Kim

{"title":"Cryogenic deformation strengthening mechanisms in FeMnSiNiAl high-entropy alloys","authors":"Yang Zuo , Yu Fu , Renlong Xiong , Huabei Peng , Hui Wang , Yuhua Wen , Seon-Gyu Kim , Donghwa Lee , Hyoung Seop Kim","doi":"10.1016/j.actamat.2024.120554","DOIUrl":"10.1016/j.actamat.2024.120554","url":null,"abstract":"<div><div>The mechanical properties and deformation mechanisms of a newly developed Co-free FeMnSiNiAl high entropy alloy (HEA) at room and cryogenic temperatures were systematically investigated. The initial tensile deformation at room temperature was dominated by dislocation slipping, with modest strengthening from the Transformation-Induced Plasticity (TRIP) effect due to the deformation-induced FCC → HCP martensitic transformation. Subsequently, the TRIP effect was markedly enhanced during the middle and later stages of deformation, leading to an excellent combination of yield strength (<em>σ</em><sub>y</sub>, 315.1 MPa), ultimate tensile strength (<em>σ</em><sub>u</sub>, 773.4 MPa), and fracture elongations (<em>ε</em><sub>f</sub>, 78.3 %). The strengthening by the TRIP effect was significantly enhanced at cryogenic temperatures as a result of enhanced FCC → HCP martensitic transformation. This resulted in a synergetic improvement in strength and ductility at 223 K, with <em>σ</em><sub>y</sub> of 363.6 MPa, <em>σ</em><sub>u</sub> of 832.1 MPa, and <em>ε</em><sub>f</sub> of 87.2 %. The enhanced ductility at 223 K was linked to the FCC → HCP → BCC sequential martensitic transformation during the middle and later stages of deformation, which acted as an additional way to accommodate plastic strain and delay strain localization. However, the rapid FCC → HCP transformation at the early stage of deformation at 173 K and 77 K impeded the FCC → HCP → BCC sequential martensitic transformation during subsequent deformation stages, thus remarkably enhancing strength but reducing ductility. Our findings provide new insights into the design and development of TRIP-assisted single-phase FCC HEAs for cryogenic applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120554"},"PeriodicalIF":8.3,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

A novel age-hardenable austenitic stainless steel with superb printability 一种新型时效硬化奥氏体不锈钢，具有极佳的可印刷性

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-09 DOI: 10.1016/j.actamat.2024.120547

Huayan Hu , Tianji Zhao , Zehao Ning , Jian-Feng Wen , Tongde Shen , Shujuan Wang , Miao Song

{"title":"A novel age-hardenable austenitic stainless steel with superb printability","authors":"Huayan Hu , Tianji Zhao , Zehao Ning , Jian-Feng Wen , Tongde Shen , Shujuan Wang , Miao Song","doi":"10.1016/j.actamat.2024.120547","DOIUrl":"10.1016/j.actamat.2024.120547","url":null,"abstract":"<div><div>Precipitation-hardened high strength alloys, such as nickel-based alloys, aluminum alloys and stainless steels, are susceptible to hot cracking during 3D printing. This issue is typically mitigated by reducing solute segregation or promoting columnar-to-equiaxed transition. Here, we demonstrate an alternative approach by increasing segregation solutes, especially Ti element, to reduce hot cracking during laser powder bed fusion (LPBF) additive manufacturing of a new austenitic stainless steel (ASS). Enhanced segregation triggers peritectic-like reactions at cell/grain boundaries, forming multiple phases that bridge FCC dendrites. As a result, the new ASS exhibited excellent printability across a broad range of processing parameters. The as-built (AB) steel displayed a heterogeneous columnar grain microstructure with fine L2<sub>1</sub>/BCC/C14 precipitates partially decorating cell structures, achieving a yield strength (σ<sub>0.2</sub>) above 690 MPa and uniform elongation (ε<sub>u</sub>) beyond 17.5 %. The epitaxial growth of the columnar grains was frequently interrupted by puddles of fine grains, leading to near-isotropic tensile properties. Following isochronal annealing at temperatures between 600 and 1150 °C for two hours, the AB steel underwent varying degrees of microstructure evolution, resulting in a broad range of mechanical properties (σ<sub>0.2</sub> from 300 to 1460 MPa and ε<sub>u</sub> from 59.5 % to 7.6 %). This high strength is attributed to the formation of the L2<sub>1</sub>/σ/η multiple phases at cell and grain boundaries, in combination with coherent L1<sub>2</sub>-ordered (γ') nanoparticles precipitated within cell interiors during aging. This study explored that compositional design leveraging the unique solidification behavior of the <span>L</span>PBF process can produce hierarchical-structured stainless steels with excellent printability and tunable mechanical performance.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120547"},"PeriodicalIF":8.3,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

A multi-scale modeling framework for solidification cracking during welding 焊接过程中凝固裂纹的多尺度建模框架

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-08 DOI: 10.1016/j.actamat.2024.120530

Xiaohui Liang , Gautam Agarwal , Marcel Hermans , Cornelis Bos , Ian Richardson

{"title":"A multi-scale modeling framework for solidification cracking during welding","authors":"Xiaohui Liang , Gautam Agarwal , Marcel Hermans , Cornelis Bos , Ian Richardson","doi":"10.1016/j.actamat.2024.120530","DOIUrl":"10.1016/j.actamat.2024.120530","url":null,"abstract":"<div><div>A multi-scale multi-physics modeling framework has been developed to predict solidification cracking susceptibility (SCS) during welding. The framework integrates a thermo-mechanical finite element model to simulate temperature and strain rate profiles during welding, a cellular automata model to simulate the solidified microstructure in the weld pool, and a granular model to calculate the pressure drop in the mushy zone. Verification was achieved by comparing the model’s predictions with welding experiments on two steels, demonstrating its capability to accurately capture the effects of process parameters, grain refinement, and alloy composition on SCS. Results indicate that increasing welding velocity, while maintaining a constant power-to-velocity ratio, extends the size of the mushy zone and increases the maximum pressure drop in the mushy zone, leading to higher SCS. Grain refinement decreases separation velocities and the permeability of liquid channels, which increases SCS, but it also raises the coalescence temperature, resulting in an overall reduction in SCS. Alloy composition impacts SCS through thermal diffusivity and segregation. Lower thermal diffusivity or stronger segregation tends to elongate the mushy zone, resulting in an increase in SCS. This framework provides a robust tool for understanding the mechanisms of solidification cracking, optimizing welding parameters to prevent its occurrence, and comparing SCS of different compositions during alloy design.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120530"},"PeriodicalIF":8.3,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597099","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Hierarchical micro-nanostructured Zr-based metallic glass with tensile plasticity 具有拉伸可塑性的分层微纳米结构 Zr 基金属玻璃

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2024-11-08 DOI: 10.1016/j.actamat.2024.120553

Dongpeng Wang , Mengwei Du , Yingchun Lin , Zhenzhen Dong , Hongti Zhang , Yicheng Wu , Xin Li , Yuxin Wang , Chain Tsuan Liu

{"title":"Hierarchical micro-nanostructured Zr-based metallic glass with tensile plasticity","authors":"Dongpeng Wang , Mengwei Du , Yingchun Lin , Zhenzhen Dong , Hongti Zhang , Yicheng Wu , Xin Li , Yuxin Wang , Chain Tsuan Liu","doi":"10.1016/j.actamat.2024.120553","DOIUrl":"10.1016/j.actamat.2024.120553","url":null,"abstract":"<div><div>Metallic glasses (MGs) exhibit many unique properties because of their disordered microstructure. However, the absence of tensile plasticity at room temperature severely restricts the potential of MGs as high-performance structural materials. Here, Zr-based MG with a hierarchically heterogeneous structure in length was fabricated to enhance the tensile plasticity. Higher structural heterogeneity with a characteristic length of 12–20 nm was obtained by thermal cycling treatment. Subsequently, a micron array with a lower elastic modulus was prepared via high-frequency vibration. The hierarchical micro-nanostructured Zr-based MG exhibits a tensile plasticity of 0.68% at room temperature. Combined with finite element calculations and molecular dynamics simulations, the mechanism of the plastic deformation is attributed to more activated deformation units at the nanoscale and shear bands blocking and branching by complicated stress distributions at the micrometer scale. The findings presented herein can expand the understanding of structural heterogeneity, and provide a theoretical foundation for enhancing the tensile plasticity of MGs.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"283 ","pages":"Article 120553"},"PeriodicalIF":8.3,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597098","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Direct observation of Schottky-vacancy clusters and their mechanical response in MoN/TiN superlattice 在 MoN/TiN 超晶格中直接观测肖特基空穴团簇及其机械响应

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2024-11-08 DOI: 10.1016/j.actamat.2024.120551

Zhuo Chen, Yong Huang, Zecui Gao, Yonghui Zheng, Paul H. Mayrhofer, Zaoli Zhang

{"title":"Direct observation of Schottky-vacancy clusters and their mechanical response in MoN/TiN superlattice","authors":"Zhuo Chen, Yong Huang, Zecui Gao, Yonghui Zheng, Paul H. Mayrhofer, Zaoli Zhang","doi":"10.1016/j.actamat.2024.120551","DOIUrl":"https://doi.org/10.1016/j.actamat.2024.120551","url":null,"abstract":"A deeper understanding of vacancy-induced effects in ceramics may lead to optimized material design and mechanical properties. However, current research primarily focuses on the impact of vacancies on the intrinsic mechanical properties of materials, lacking direct experimental validation of their mechanical response behavior. In this study, we closely investigate the influence of Schottky-vacancy defects introduced during the deposition process on the mechanical behavior of MoN/TiN superlattice. In the as-deposited coating, Schottky vacancies are found to be distributed inside MoN as clusters. By coupling FIB with cross-sectional TEM observation, we further revealed Schottky vacancies evolution under loads at the atomic level and their significant impact on superlattice deformation. These Schottky vacancies promote superlattice intermixing and weaken the interface-strengthening effect. However, they are also beneficial to dislocation nucleation and increase the nitride plastic deformability. These findings provide a new perspective on the impact of point defects on the mechanical properties of ceramic materials.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"36 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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