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Near-bulk resistivity of sub-10nm Au films by breaking free from thickness downscaling effects Acta Mater. (IF 8.3) Pub Date : 2024-08-22 Eunwook Jeong, Sang-Geul Lee, Seung Min Yu, Seung Zeon Han, Gun-Hwan Lee, Yoshifumi Ikoma, Eun-Ae Choi, Jungheum Yun
The miniaturization of electronic devices requires thin films with electrical conductivities that are comparable to those of bulk metals. However, ultrathin coinage metal films inevitably suffer from increased electrical resistivity compared with bulk metals, hindering their performance in miniaturized electronics. This study presents a novel approach to achieve near-bulk resistivity in sub-10-nm-thick
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Perpendicular magnetic anisotropy in multilayers arising from the interplay of thermal strains and diffusion-driven plastic deformation Acta Mater. (IF 8.3) Pub Date : 2024-08-22 A. Hromov, M. Panjan, M. Tadić, A. Zorko, M. Pregelj
Magnetic films with perpendicular magnetic anisotropy (PMA) are the basis for efficient memory-storage and future spintronic devices. PMA predominantly stems from surface effects, e.g., symmetry reduction, at the magnetic-layer interface and quickly decays with increasing layer thickness. Strong PMA is thus typically observed in sub-nanometer multilayers with alternating magnetic and noble metals.
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Fabrication of highly heterogeneous precipitate microstructure in an α/β titanium alloy Acta Mater. (IF 8.3) Pub Date : 2024-08-22 Yandi Jia, Huhu Su, Shuo Cao, Rongpei Shi, Yingjie Ma, Qian Wang, Sensen Huang, Ruixue Zhang, Qingmiao Hu, Yufeng Zheng, Shijian Zheng, Jiafeng Lei, Rui Yang
To obtain a synergistic combination of high strength and high ductility in titanium alloys, design and creation of heterogenous precipitate microstructure have attracted increasing attention. Herein, using Ti-3Al-5Mo-4.5V (wt.%, an titanium alloy) as a model alloy, we demonstrated that a highly heterogenous -phase precipitate microstructures with well-controlled length scale of spatial heterogeneity
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Degradation of the mechanical properties of NbMoTaW refractory high-entropy alloy in tension Acta Mater. (IF 8.3) Pub Date : 2024-08-18 Punit Kumar, Xueqian Gou, David H. Cook, Madelyn I. Payne, Nathaniel J. Morrison, Wenqing Wang, Mingwei Zhang, Mark Asta, Andrew M. Minor, Ruqing Cao, Yi Li, Robert O. Ritchie
The mechanical properties of the refractory high-entropy alloy (RHEA) NbMoTaW with columnar and equiaxed microstructures and a nanoscale metal oxide layer on the grain boundaries are investigated at ambient temperatures (RT) to 1200 °C. Under compression, the alloy shows a yield strength, , of ⁓1390 ± 20 MPa at RT and retains a high yield strength, , of ⁓301.5 MPa at 1200 °C. However, in tension, the
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Stress induced martensitic transformation in NiTi at elevated temperatures: Martensite variant microstructures, recoverable strains and plastic strains Acta Mater. (IF 8.3) Pub Date : 2024-08-18 O. Tyc, E. Iaparova, O. Molnárová, L. Heller, P. Šittner
To shed light on the origin of the loss of functional properties of NiTi with temperature increasing above 100 °C, we have investigated stress induced martensitic transformations in nanocrystalline NiTi shape memory wire by thermomechanical tensile testing supplemented with post-mortem reconstruction of martensite variant microstructures in grains by nanoscale orientation mapping in TEM. The stress
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Local charge distortion due to Cr in Ni-based concentrated alloys Acta Mater. (IF 8.3) Pub Date : 2024-08-17 Jacob Fischer, Dilpuneet S. Aidhy
Due to the presence of multiple elements consisting of a range of atomic radii, local lattice distortion (LLD) is commonly observed in concentrated (and high entropy) alloys. However, since these elements also have diverse electronegativities, recent works show that atoms can have a range of atomic charges. In this work, using density functional theory (DFT), we investigate electronic charge distribution
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Thermo-kinetic insights into deformation mechanism in the phase-transforming nanostructured Fe alloy Acta Mater. (IF 8.3) Pub Date : 2024-08-17 L.K. Huang, X. Liu, K. Niu, K.X. Song, F. Liu
Solid-state phase transformations (SSPTs) being the most widely versatile routes to tailor microstructures are less utilized in the design of nanostructured (NS) alloys, resulting in a lack of understanding of the significance of SSPTs in tuning mechanical properties. Here, we combine nanostructuring with reverse austenite transformation to make a phase-transforming NS Fe alloy consisting of ultrafine
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Investigating interfacial segregation of [formula omitted]/Al in Al–Cu alloys: A comprehensive study using density functional theory and machine learning Acta Mater. (IF 8.3) Pub Date : 2024-08-17 Yu Liu, Yin Zhang, Namin Xiao, Xingwu Li, Fu-Zhi Dai, Mohan Chen
Solute segregation at the interface between the aluminum (Al) matrix and the () phase decreases the interfacial energy, impedes the coarsening of precipitates, and enhances the thermal stability of such precipitates. In this study, we employ density functional theory to systematically calculate solute segregation energies of 42 solute elements at the coherent and semi-coherent interfaces between the
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Wear-resistant CrCoNi nanocrystalline film via friction-driven surface segregation Acta Mater. (IF 8.3) Pub Date : 2024-08-16 Qing Zhou, Zhichao Jiao, Zhuobin Huang, Yeran Shi, Yulong Li, Cunhong Yin, Haifeng Wang, Haroldo Cavalcanti Pinto, Christian Greiner, Weimin Liu
Revealing the frictional behavior through the lens of structural and chemical evolution is crucial for comprehending the exceptional wear-resistance of alloys with complex composition. Here, we propose that superior wear resistance can be achieved via dynamic surface segregation during sliding at room temperature. This strategy was demonstrated in CrCoNi multi-principal element alloy (MPEA) films with
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Resolving localized geometrically necessary dislocation densities in Al-Mg polycrystal via in situ EBSD Acta Mater. (IF 8.3) Pub Date : 2024-08-15 Hongru Zhong, Qiwei Shi, Chengyi Dan, Xiaojiao You, Shuwei Zong, Shengyi Zhong, Yudong Zhang, Haowei Wang, Zhe Chen
The distribution of geometrically necessary dislocation (GND) densities is critical to understanding the heterogeneous plastic deformation at intragranular scales in polycrystals. In this work, we performed an in situ electron backscatter diffraction (EBSD) measurement during the tensile test on a polycrystalline Al-Mg alloy. The EBSD patterns were processed through the integrated digital image correlation
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Enhanced thermal stability in additive friction stir deposited ODS IN9052 Al alloy Acta Mater. (IF 8.3) Pub Date : 2024-08-15 Aishani Sharma, Roopam Jain, Priyanka Agrawal, Shreya Mukherjee, Anurag Gumaste, Devin F. Davis, Ravi Sankar Haridas, Rajiv S. Mishra
Mechanically alloyed (MA) oxide dispersion strengthened (ODS) IN9052 Al alloy exhibits excellent strength both at ambient and high temperatures (up to 300 °C). The limited ductility at ambient temperatures, stemming primarily from the inherent microstructure, impede its practical appeal in structural applications. The present study signifies a maiden effort to additively manufacture MA-ODS IN9052 alloy
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Triple junction excess energy in polycrystalline metals Acta Mater. (IF 8.3) Pub Date : 2024-08-14 Nutth Tuchinda, Christopher A. Schuh
The energetics of triple lines are often negligible in polycrystalline systems, but may play a significant role in the finest nanocrystals, and in fact lower the excess defect energies of those polycrystals. This paper develops a methodology to assess polycrystalline average grain boundary and triple junction excess energies for pure fcc metals Ni, Cu, Al, Pd, Pt, Ag and Au using embedded atom method
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Untangling individual cation roles in rock salt high-entropy oxides Acta Mater. (IF 8.3) Pub Date : 2024-08-14 Saeed S.I. Almishal, Jacob T. Sivak, George N. Kotsonis, Yueze Tan, Matthew Furst, Dhiya Srikanth, Vincent H. Crespi, Venkatraman Gopalan, John T. Heron, Long-Qing Chen, Christina M. Rost, Susan B. Sinnott, Jon-Paul Maria
We unravel the distinct role each cation plays in phase evolution, stability, and properties within the MgCoNiCuZnO high-entropy oxide (HEO) by integrating experimental findings, thermodynamic analyses, and first-principles predictions. Our approach is through sequentially removing one cation at a time from the five-component high-entropy oxide to create five four-component derivatives. Bulk synthesis
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In-situ ETEM study of plasma-facing tungsten nanofuzz oxidation at atmospheric pressure: Microstructure evolution and substrate-free oxidation kinetics Acta Mater. (IF 8.3) Pub Date : 2024-08-12 Rajat Sainju, Marlene Patino, Matthew J. Baldwin, Osman El Atwani, Robert Kolasinski, Yuanyuan Zhu
To enable sustainable carbon-free fusion energy, managing reactor structural material degradation during normal operation as well as accident scenarios is vital. Tungsten (W) plasma-facing materials (PFMs) are susceptible to aggressive high-temperature oxidation during air-ingress fusion reactor accidents, yet there's a lack of oxidation kinetic data for irradiated tungsten. Here, we utilize atmospheric
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Disruptive atomic jumps induce grain boundary stagnation Acta Mater. (IF 8.3) Pub Date : 2024-08-11 Xinyuan Song, Chuang Deng
Grain growth in polycrystalline materials can be impeded by grain boundary (GB) stagnation. Using atomistic simulations, we observed that during GB migration, the disruptive jumps of a few GB atoms can disturb the original ordered collective movement of GB atoms, leading to the stagnation of the entire GB. These disruptive atomic jumps can be activated by both high driving forces and high temperatures
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Exploring defect behavior in helium-irradiated single-crystal and nanocrystalline 3C-SiC at 800°C: A synergy of experimental and simulation techniques Acta Mater. (IF 8.3) Pub Date : 2024-08-10 Zhiqiang Wang, Limin Zhang, Ahmed Tamer AlMotasem, Bingsheng Li, Tomas Polcar, Nabil Daghbouj
In this study, single crystal (sc) and nanocrystalline (nc) 3C-SiC samples were subjected to 30 keV He ion irradiation across various doses while maintaining a temperature of 800 °C. Employing techniques including Raman spectroscopy, transmission electron microscopy (TEM), and nanoindentation, the alterations in microstructure and hardness resulting from He irradiation with various fluences were examined
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A “bond-focused” local atomic environment representation for a high throughput solute interaction spectrum analysis Acta Mater. (IF 8.3) Pub Date : 2024-08-10 Thomas P. Matson, Christopher A. Schuh
Local atomic environment (LAE) representations have enabled a deeper understanding of complex alloy configurations, by enabling machine learning and data science approaches to previously inaccessible tasks. For example, recent developments have used site-centered descriptors to interpret the structurally complex LAEs present in polycrystalline grain boundary (GB) networks and learn the spectrum of
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Far-from-equilibrium solid–liquid interfacial properties of aluminum Acta Mater. (IF 8.3) Pub Date : 2024-08-09 Yan Yin, Yiqi Zhu, Shijie Liu, Dayong Zheng, Min Yi
Simulating quantitatively far-from-equilibrium conditions, which is relevant to a host of rapid solidification processes, has remained a major challenge where theoretical models and physical mechanisms for far-from-equilibrium solid–liquid (SL) interface are essential. Herein, we investigate the effects of far-from-equilibrium state and external strain on SL interfacial properties by using capillary
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Intrinsic grain boundary shear coupling tensor Acta Mater. (IF 8.3) Pub Date : 2024-08-09 Xinyuan Song, Liang Yang, Chuang Deng
Grain boundary (GB) migration stands as a linchpin process governing microstructural evolution in polycrystalline materials. Over the past decade, the concept of shear coupling, quantified through the shear coupling factor, has transformed our understanding and driven the development of theoretical frameworks for unifying GB behaviors. In this study, we introduced a novel concept of shear coupling
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A micromechanical study of heat treatment induced hardening in [formula omitted]-brass Acta Mater. (IF 8.3) Pub Date : 2024-08-08 Jonathan Birch, Emily Jenkins, Anastasia Vrettou, Mohammed Said, Himanshu Vashishtha, Thomas Connolley, Jeff Brooks, David M. Collins
The mechanisms that govern a previously unexplained hardening effect of a single phase Cu-30wt%Zn -brass after heating have been investigated. After cold-work, the alloy possesses an increased yield strength and hardening rate only when heat treated to temperatures close to 220 °C, and is otherwise softer. Crystallographic texture and microstructure, explored using electron backscatter diffraction
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Realizing high thermoelectric performance and thermal stability in CuInTe2 through heavy dose Mg doping Acta Mater. (IF 8.3) Pub Date : 2024-08-08 Qihong Xiong, Hong Wu, Kaiqi Zhang, Guiwen Wang, Sikang Zheng, Yajie Feng, Shuai Wu, Bin Zhang, Guang Han, Guoyu Wang, Xiaoyuan Zhou, Xu Lu
Cu based ternary compounds have received intensive attentions as thermoelectric materials but their carrier mobility and thermal stability are subject to native Cu vacancy. In this work, the synergistic improvement in thermoelectric performance and stability in CuInTe is presented, facilitated by local chemical bond enhancement. Heavy dose Mg doping on In site can successfully suppress the formation
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3D deep learning for enhanced atom probe tomography analysis of nanoscale microstructures Acta Mater. (IF 8.3) Pub Date : 2024-08-08 Jiwei Yu, Zhangwei Wang, Aparna Saksena, Shaolou Wei, Ye Wei, Timoteo Colnaghi, Andreas Marek, Markus Rampp, Min Song, Baptiste Gault, Yue Li
Quantitative analysis of microstructural features on the nanoscale, including precipitates, local chemical orderings (LCOs) or structural defects (e.g. stacking faults) plays a pivotal role in understanding the mechanical and physical responses of engineering materials. Atom probe tomography (APT), known for its exceptional combination of chemical sensitivity and sub-nanometer resolution, primarily
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Enhancing comprehensive energy storage properties in Pb-free relaxor AFE/FE system via heterogeneous structure tuning and defect engineering Acta Mater. (IF 8.3) Pub Date : 2024-08-08 Kun Wei, Jianhong Duan, Gaosheng Li, Huifen Yu, He Qi, Hao Li
Multi-phase NaNbO (NN) exhibits high adjustability on the ordering of both polarization and oxygen octahedral tilt, becoming a perfect carrier to design heterogeneous structure for boosting comprehensive energy storage properties. To balance the energy storage density and efficiency, the coexistence of the relaxor antiferroelectric (AFE) with high polarization capability and the relaxor ferroelectrics
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The investigation of the influence of B-site disorder on giant exchange bias: Experimental observations and theoretical insights Acta Mater. (IF 8.3) Pub Date : 2024-08-08 Koustav Pal, Sudip Mandal, I. Das
Recent research has highlighted the significance of perovskites owing to their diverse characteristics arising from the integration of elements across the periodic table. The properties of these materials are influenced through a range of factors, including constituent elements, disorder, oxygen deficiency, and so on. We investigated the impact of disorder, along with the dependency of temperature
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Pivotal role of polarization coupling on strain evolution in BNT-based systems Acta Mater. (IF 8.3) Pub Date : 2024-08-08 Xiaojun Wu, Chao Wu, Lanji Wen, Jie Yin, Ting Zheng, Jiagang Wu
Bismuth sodium titanate [BiNaTiO (BNT)]-based relaxors exhibit outstanding strain performances, making them valuable for piezoelectric actuators. Although various giant strain BNT-based systems have been constructed, the chemical modification on BNT ceramics still require amounts of trial-and-error experiments. Herein, based on the typical ferroelectric/relaxor theory and Preisach model, we propose
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A macroscopically inhomogeneous stress-induced R-phase transformation in Ti50Ni48.5Fe1.5 with enhanced elastocaloric effect Acta Mater. (IF 8.3) Pub Date : 2024-08-06 Ruihang Hou, Fei Xiao, Shungui Zuo, Xiaorong Cai, Ying Zhou, Marcel Porta, Antoni Planes, Xuejun Jin
The stress-induced transformation from austenite phase to R phase in NiTi and TiNi-based shape memory alloys has a small stress hysteresis and a high stability to cycling across the transformation due to a small lattice distortion. However, the elastocaloric effect is limited due to the intrinsic small transformation strain and this significantly hinders its application in solid-state refrigeration
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Experimental and computational assessment of the temperature dependency of the stacking fault energy in face-centered cubic high-entropy alloys Acta Mater. (IF 8.3) Pub Date : 2024-08-06 Konstantin V. Werner, Muhammad Naeem, Frank Niessen, Li Zhu, Matteo Villa, Xun-Li Wang, Marcel A.J. Somers
The activation of deformation mechanisms in face-centered cubic materials is considered closely related with the stacking fault energy. Experimentally determined stacking fault energy (SFE) values are exclusively positive. However, results obtained by first principle methods predict that the intrinsic SFE of metastable face-centered cubic metals and alloys is negative. It was previously shown that
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Operando study of the dynamic evolution of multiple Fe-rich intermetallics of an Al recycled alloy in solidification by synchrotron X-ray and machine learning Acta Mater. (IF 8.3) Pub Date : 2024-08-05 Kang Xiang, Ling Qin, Yuliang Zhao, Shi Huang, Wenjia Du, Elodie Boller, Alexander Rack, Mengnie Li, Jiawei Mi
Using synchrotron X-ray diffraction, tomography and machine-learning enabled phase segmentation strategy, we have studied under operando conditions the nucleation, co-growth and dynamic interplays among the dendritic and multiple intermetallic phases of a typical recycled Al alloy (Al5Cu1.5Fe1Si, wt.%) in solidification with and without ultrasound. The research has revealed and elucidated the underlying
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Unravelling dynamic recrystallisation in a microalloyed steel during rapid high temperature deformation using synchrotron X-rays Acta Mater. (IF 8.3) Pub Date : 2024-08-05 Kai Zhang, Tim Wigger, Rosa Pineda, Simon A. Hunt, Ben Thomas, Thomas Kwok, David Dye, Gorka Plata, Jokin Lozares, Inaki Hurtado, Stefan Michalik, Michael Preuss, Peter D. Lee, Mohammed A. Azeem
Microstructure evolution during high-strain rate and high-temperature thermo-mechanical processing of a 44MnSiV6 microalloyed steel is investigated using synchrotron high-energy powder X-ray diffraction. The conditions selected replicate a newly developed near solidus high-strain rate process designed for reducing raw material use during the hot processing of steels. High temperatures (exceeding 1300
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The coordination environment dominated clustering behavior of vacancy and rhenium in molybdenum Acta Mater. (IF 8.3) Pub Date : 2024-08-05 Lu Sun, Ming-Jun Li, Li Chen, Yu-Hao Li, Meng-Lu Qin, Guang-Hong Lu, Zhen-Feng Tong
Refractory molybdenum-rhenium (Mo-) alloys are considered as the best core structural materials in the space nuclear reactor. Irradiation will induce obvious microstructure damage and formation of -rich precipitates, but the underlying mechanism remains unclear due to the complicated interaction between and defects. In this work, by using first-principles and molecular static calculations, we obtain
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Achieving ultralow contact resistivity in Si via Te hyperdoping and millisecond post-metallization annealing Acta Mater. (IF 8.3) Pub Date : 2024-08-04 Hang Liu, Yunxia Zhou, M.S. Shaikh, Yijia Huang, Jianqi Zhu, R. Heller, U. Kentsch, Ling Li, Mingyang Tian, Shengqiang Zhou, Mao Wang
Achieving extremely low specific contact resistance () has become a critical challenge for nanoelectronics to achieve high device performance with increased miniaturization. In this work, we explore the use of Tellurium hyperdoping and millisecond-range post-metallization flash lamp annealing as a potential solution to overcome this bottleneck. The epitaxially-resolidified hyperdoped Si layers with
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Dynamic recrystallisation: A quantitative study on grain boundary characteristics and dependence on temperature and strain rate in an aluminium alloy Acta Mater. (IF 8.3) Pub Date : 2024-08-04 Ruiqiang Zhang, Jing-Hua Zheng, Jun Jiang
Dynamic recrystallisation (DRX) usually occurs during hot forming of metallic materials, significantly impacting the mechanical properties of the final parts. Although DRX has been studied for decades, the types of DRX that occurs in high stacking fault energy (SFE) materials like aluminium alloys are still controversial, and their dependence on both temperature and strain rate is surprisingly missing
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Photoelectric properties surge driven by molecular-ionic crystal transition in layered antimony triiodide under high pressure Acta Mater. (IF 8.3) Pub Date : 2024-08-04 Zonglun Li, Shuxin Chen, Fuyu Tian, Sixue Fang, Quanjun Li, Mingyang Du, Bao Yuan, Le Kang, Lijun Zhang, Bingbing Liu
Establishing an effective interconnection between the crystal structure and photoelectric-related properties in layered materials is paramount for fostering efficient energy conversion. Here, we present a systematic demonstration of the adjustable and fascinating photoelectric properties alongside the intriguing molecular-ionic crystal transition in layered SbI under high pressure. With increasing
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Superelastic electromechanical behaviors in ferroelectric PbTiO[formula omitted] ceramics under coupled mechanical-electric fields: Higher-order piezoelectric constitutive equations from first-principles Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Susumu Minami, Tomohiro Nakayama, Takahiro Shimada
With the recent discovery of superelastic behaviors of ferroelectric (piezoelectric) ceramics, understanding their non-linear mechanical and electromechanical responses under high stress and electric field conditions is crucial for engineering and designing advanced piezoelectric devices, such as ultrasmall actuator systems. In this study, we carry out first-principles finite electric field calculations
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Investigating grain-resolved evolution of lattice strains during plasticity and creep using 3DXRD and crystal plasticity modelling Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Farhan Ashraf, Ranggi S. Ramadhan, Abdullah Al Mamun, James A.D. Ball, Eralp Demir, Thomas Connolley, David M. Collins, Mahmoud Mostafavi, David Knowles
Microstructure-informed crystal plasticity finite element models have shown great promise in predicting plastic and creep deformation in polycrystalline materials. These models can provide substantial insight into the design, fabrication and lifetime assessment of critical metallic components during operation, for instance, in thermal power plants. However, to correctly incorporate damage prediction
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Revealing the mechanisms of electrocaloric effects by simultaneously direct measuring local electrocaloric and electrostrain under ambient conditions Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Luocheng Liao, Dongliang Shan, Chihou Lei, Kai Pan, Jiangyu Li, Yunya Liu
Electrocaloric solid-state refrigeration is a primary candidate for the next-generation cooling method for microelectronic systems. However, the mechanisms of electrocaloric effect remain unclear due to the lack of direct correlation evidence, especially for novel negative electrocaloric (NEC) effect. In this work, we develop a high-accuracy direct measurement method for simultaneously measuring local
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Effects of B- and A/B-sites Codoping on lattice distortion and defect concentration for high electromechanical response of lead-free piezoelectrics Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Salman Ali Khan, Tauseef Ahmed, Hong Woo Park, Muhammad Habib, Tae Kwon Song, Chenxi Wang, Seung Uk Mun, Yunseok Kim, Myong-Ho Kim, Soonil Lee
Effects of different thermal conditions on lead-free (BiBa)(FeTi)O ceramics were studied to reduce secondary phase formation, regulate bismuth vacancies and resulting oxygen vacancies, and Fe ions valence transition during the heat treatment process. The optimal thermal conditions led to a higher = 200 pC/N and a = 420 pm/V. A/B-sites ions replacement in BF35BT, BF35BT-Zr, and BF35BTSZ ceramics were
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Effect of alkali-metal phosphate additives on the interphase structure of 5-V LiNi0.5Mn1.5O4-based lithium–ion batteries Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Jinping Mu, Xiaohui Li, Rui He, Lijing Sun, Xue Bai, Lihui Zhang, Xi Zhang, Zhenfa Liu, Jing Gao, Aijia Wei
High-voltage (5-V) lithium–ion batteries (LIBs) have garnered substantial interest due to their superior energy density. Nevertheless, the unstable interphase of high-voltage LIBs can cause electrolyte decomposition, electrode collapse, transition metal dissolution, and lithium dendrite growth during cycling, which impedes their widespread commercial use. To mitigate these challenges, various alkali-metal
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High-fidelity phase-field simulation of solid-state sintering enabled by Bayesian data assimilation using in situ electron tomography data Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Akimitsu Ishii, Akinori Yamanaka, Mizumo Yoshinaga, Shunsuke Sato, Midori Ikeuchi, Hikaru Saito, Satoshi Hata, Akiyasu Yamamoto
Experimental observation methods for understanding industrially important solid-state sintering are essential for the development of new materials and devices. To experimentally characterize solid-state sintering, the limitations posed by the complexity of target materials, experimental equipment, and observation conditions must be overcome. Therefore, hybrid techniques for predicting sintering behavior
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Phosphorus doped Li2FeSiO4 thin films prepared by magnetron sputtering as high-performance thin-film cathode materials Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Yongsong Liu, Shijin Yuan, Xinai Ren, Zejian Zheng, Cuiping Jia, Jingrui Kang, Lei Ma, Lei Liu
Polycrystalline LiFeSiO (LFS) and LiFePSiO (LFSP) thin film cathode materials tested in quasi-solid thin-film Li-ion cells have been synthesized using radio frequency magnetron sputtering in combination with rapid thermal annealing. The thin films were characterized for their phase and morphology using X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy
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A new criterion for formation capability of annealing twin in face-centered cubic metals/alloys Acta Mater. (IF 8.3) Pub Date : 2024-08-03 Hongxian Xie, Tingting He, Gaobing Wei, Wei Fang, Shigenobu Ogata, Guang-Hong Lu
Annealing twins (ATs) are prevalent in face-centered cubic (FCC) metals/alloys and significantly influence their mechanical properties. Therefore, understanding the formation capability of ATs is crucial for controlling the mechanical properties of FCC metals/alloys. Although the "Stacking Fault Energy" is a widely used factor to characterize AT formation capability, it doesn't comprehensively explain
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Effect of precipitates on the dominant active slip systems in Mg-4.5Zn (wt.%) alloy Acta Mater. (IF 8.3) Pub Date : 2024-08-02 Biaobiao Yang, Jun Wang, Mahmoud Reza Ghandehari Ferdowsi, Qi Chao, Xiang Gao, Yunping Li, Yuman Zhu, Matthew Barnett, Javier LLorca
The dominant active slip systems during plastic deformation of an extruded Mg-4.5Zn (wt.%) alloy with and without precipitates were investigated by means of advanced electron back-scattered diffraction techniques and transmission electron microscopy. Planar slip traces were found in 92% of the grains with slip traces in the sample without precipitates and, among them, the primary active slip systems
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Stochastic nature of incipient plasticity in a body-centered cubic medium-entropy alloy Acta Mater. (IF 8.3) Pub Date : 2024-08-02 A-Hyun Jeon, Yakai Zhao, Zhe Gao, Jin-Yoo Suh, Ho Jin Ryu, Hyoung Seop Kim, Upadrasta Ramamurty, Jae-il Jang
The stochastic nature of the small-scale incipient plasticity (i.e., “pop-in” behavior manifested as a sudden displacement excursion in the load-displacement curves) in a single grain of the body-centered cubic NbTiZr medium-entropy alloy is explored through a series of nanoindentation tests with three spherical tips having different radii (1.8, 3.4, and 8.2 μm). The maximum shear stress underneath
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The toughening effect of twins on fracture in nanotwinned Cu during cyclic loading Acta Mater. (IF 8.3) Pub Date : 2024-08-02 S.Y. He, B.B. Jiang, N. Lu, C.J. Chen, J.P. Cui, Z.Y. Huang, S. Jin, H.Q. Ye, L. Lu, K. Du
Extensive studies have been focused on improving the fatigue performance of materials, as fatigue fracture is a primary mode of failure in material applications for structural components. The introduction of high-density twins emerges as a novel strategy for enhancing fracture toughness; however, the mechanisms driving this enhancement during fatigue remain elusive. In this work, the impact of twins
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Non-symmetric plate-lattices: Recurrent neural network-based design of optimal metamaterials Acta Mater. (IF 8.3) Pub Date : 2024-07-31 Paul P. Meyer, Thomas Tancogne-Dejean, Dirk Mohr
The elastic response of plate-lattices with cubic symmetry can reach the upper, isotropic Hashin-Shtrikman bound. Here, our primary objective is the design of stiff lattices with tailored properties beyond any symmetry or isotropy. We propose a general construction method of plate-lattices, defined as a sequence of plates. We present the large elastic property space, accessible via the geometric control
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High-performance ultra-lean biodegradable Mg–Ca alloys and guidelines for their processing Acta Mater. (IF 8.3) Pub Date : 2024-07-31 Tatiana Akhmetshina, Leopold Berger, Indranil Basu, Samuel Montibeller, Wolfgang Rubin, Andrea M. Rich, Robin E. Schäublin, Jörg F. Löffler
High-performance binary Mg–Ca alloys are engineered by intelligent alloying and thermo-mechanical processing using hot-extrusion. With Ca-alloying contents as low as 0.2-0.6 wt.%, remarkable room-temperature tensile properties are obtained with tensile strength values as high as 380–420 MPa, or ductility values reaching a maximum of 36 %. By means of multiscale structural and chemical analysis using
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Mapping high entropy state spaces for novel material discovery Acta Mater. (IF 8.3) Pub Date : 2024-07-31 Johnathan von der Heyde, Walter Malone, Abdelkader Kara
High-entropy alloys show promising properties for novel catalytic designs, but their vast potential configurations make them challenging to study computationally. Additionally, the traditional methods for data acquisition required to train neural networks on these broad systems can be inefficient. To address this, we propose an active learning methodology that integrates genetic algorithms with deep
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Comparison and validation of stochastic microstructure characterization and reconstruction: Machine learning vs. deep learning methodologies Acta Mater. (IF 8.3) Pub Date : 2024-07-31 Arulmurugan Senthilnathan, Vishnu Saseendran, Pinar Acar, Namiko Yamamoto, Veera Sundararaghavan
In the world of computational materials science, the knowledge of microstructure is vital in understanding the process-microstructure–property linkage across various length-scales. To circumvent costly experimental characterizations, typically, analyses on ensembles of 3D microstructures within a numerical framework are preferred. Utilizing a moment invariants-based physical descriptor, the current
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Corrigendum to “Diffusion-controlled growth and microstructural evolution between Pt and Pd containing B2-NiAl bond coats and Ni-based single crystal superalloy” [Acta Mater. 266 (2024) 119687] Acta Mater. (IF 8.3) Pub Date : 2024-07-31 Neelamegan Esakkiraja, Aditya Vishwakarma, Surendra K Makineni, Vikram Jayaram, Tilmann Hickel, Sergiy V. Divinski, Aloke Paul
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ω-Strengthened Ti-23Nb alloy with twinning-induced plasticity developed via reverse martensitic transformation Acta Mater. (IF 8.3) Pub Date : 2024-07-30 Xianbing Zhang, Shubin Wang, Jialin Wu, Jian Sun, Yipeng Gao, Binbin He, Stephen J. Pennycook
The twinning-induced plasticity (TWIP) effect contributes to high strength and ductility synergy in metastable β Ti alloys. Moreover, stress-induced α″ martensites (SIMs) are usually concurrent with TWIP, resulting in low yield strength. As a new pathway, the production of ω-strengthened metastable β Ti alloys from full α″ Ti alloys can be accomplished via reverse martensitic transformation. However
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Unusual nanoscale amorphization of metallic chromium interfacing with SiC under high energy irradiation Acta Mater. (IF 8.3) Pub Date : 2024-07-30 Kyle Quillin, K.N. Sasidhar, Muhammad Waqas Qureshi, Hwasung Yeom, Izabela Szlufarska, Kumar Sridharan
Layered metal/silicon carbide (SiC) materials systems are becoming increasingly relevant to solve materials challenges in advanced fission and fusion nuclear energy systems, necessitating a deeper understanding of how interfaces between dissimilar materials behave under high energy irradiation. In this work, we use a Cr-SiC bilayer system as a model to study the behavior of such interfaces under high
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Martensitic transformation-governed Lüders deformation enables large ductility and late-stage strain hardening in ultrafine-grained austenitic stainless steel at low temperatures Acta Mater. (IF 8.3) Pub Date : 2024-07-30 Wenqi Mao, Si Gao, Wu Gong, Takuro Kawasaki, Tatsuya Ito, Stefanus Harjo, Nobuhiro Tsuji
Deformation-induced martensitic transformation that rapidly occurs generally leads to a significant reduction in elongation of metastable austenitic steels, particularly at low temperatures. However, we proved that the ultrafine-grained 304 stainless steel is an exception. Using a hybrid method of neutron diffraction and digital image correlation, we found that this material exhibits Lüders deformation
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From soft to ultrahard over 1000 HV: Engineering the hardness of FeMnAl(Cu) medium entropy alloys by unlocking the potential of β-Mn precipitation Acta Mater. (IF 8.3) Pub Date : 2024-07-30 Yang Zuo, Yu Fu, Renlong Xiong, Lixin Sun, Huabei Peng, Hui Wang, Yuhua Wen, Hyoung Seop Kim
Ultra-hard and wear-resistant metallic alloys are crucial for engineering applications to withstand prolonged wear and tear. However, fabricating multiple component alloys with varying hardness levels poses challenges in compositional design, processing optimization, and the application of hardening techniques across different alloy systems. Here, we demonstrate a facile approach for fabricating ultrahard
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Grain boundary diffusion and segregation of Cr in Ni [formula omitted] bicrystals: Decoding the role of grain boundary defects Acta Mater. (IF 8.3) Pub Date : 2024-07-30 Shraddha V. Sevlikar, G. Mohan Muralikrishna, Daniel Gaertner, Sergei Starikov, Tobias Brink, Daniel Scheiber, Daria Smirnova, Daniel Irmer, Bengü Tas, Vladimir A. Esin, Vsevolod I. Razumovskiy, Christian H. Liebscher, Gerhard Wilde, Sergiy V. Divinski
Grain boundary diffusion of Cr in a near Ni bicrystal is measured over a temperature interval between 503 K and 1203 K using the radiotracer technique. The grain boundary diffusion coefficients, , and the triple products, , are determined in the C- and B-type kinetics regimes, respectively, with being the segregation factor and the grain boundary width. Opposite to expectations, two distinct contributions
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Point defects in BaSi2 identified and analyzed by electron paramagnetic resonance, photoluminescence and density functional theory Acta Mater. (IF 8.3) Pub Date : 2024-07-29 Takuma Sato, Jean-Marie Mouesca, Anne-Laure Barra, Didier Gourier, Motoharu Imai, Takashi Suemasu, Serge Gambarelli
Barium disilicide (BaSi) is a semiconductor with promising photovoltaic properties. To build efficient devices, a good understanding of its defects is required. In this article, we present the first systematic study of such defects in a series of BaSi samples synthetized in Barium-rich and Silicon-rich conditions. We combined electron paramagnetic resonance (EPR), Photoluminescence (PL) and density
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PYN-based antiferroelectric ceramics with superior energy storage performance within an ultra-wide temperature range Acta Mater. (IF 8.3) Pub Date : 2024-07-29 Chukai Chen, Jin Qian, Jinfeng Lin, Guohui Li, Cheng Shi, Simin Wang, Chao Sun, Guanglong Ge, Bo Shen, Jiwei Zhai
Antiferroelectric (AFE) ceramics are known for their rich field-induced phase transitions, which mainly contribute to their superior energy storage performance. However, the phase transitions instability caused by high temperature often limits its application scenarios. Developing AFE ceramics with high energy storage properties and wide application temperature ranges is challenging. Here, considering
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Revealing the mechanism of the electron-transfer induced and enhanced intrinsic auxeticity in 2D penta-materials Acta Mater. (IF 8.3) Pub Date : 2024-07-29 Jintong Guan, Zeyan Wang, Cong Sun, Jing Weng, Rui Luo, Xiaohua Zhao, Conglin Zhang, Qingfeng Guan, Erjun Kan
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Construction of self-supported TiO2 nanotube arrays with hybrid point defect engineering: A bifunctional anode for Li+/Na+ storage Acta Mater. (IF 8.3) Pub Date : 2024-07-27 Wei Cao, Ziwei Chen, Maolin Yang, Hanxi Guan, Xing Cheng, Ming Zhang, Feng Lin, Yinguo Xiao, Min Ling, Chengdu Liang, Jun Chen
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Grain boundary segregation for the Fe-P system: Insights from atomistic modeling and Bayesian inference Acta Mater. (IF 8.3) Pub Date : 2024-07-26 Alexander Reichmann, Nutth Tuchinda, Christoph Dösinger, Daniel Scheiber, Vsevolod I. Razumovskiy, Oleg Peil, Thomas P. Matson, Christopher A. Schuh, Lorenz Romaner
In this work we re-assess experimental data for grain boundary (GB) segregation of P in bcc Fe with thermodynamic and statistical methods. The data are based on Auger-Electron-Spectroscopy (AES) measurements which have provided P GB concentrations for various bulk contents and temperatures for ferrite. While in the previous investigations of this system a single-site McLean equation was used to extract
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Rate-independent mechanism of deformation twinning in single crystal magnesium Acta Mater. (IF 8.3) Pub Date : 2024-07-26 Doron Shilo, Eilon Faran
The dynamics of extension twins in a single crystal of pure magnesium are studied through uniaxial compression experiments coupled with direct optical imaging. The experiments covered a seven orders of magnitude strain rate, between , covering all rates of engineering applications of magnesium and its alloys. Under uniaxial compression along a direction perpendicular to prismatic planes, only two variants