Article
Materials Science, Ceramics
Yunxuan Zhou, Mengdi Gan, Wei Yu, Xiaoyu Chong, Jing Feng
Summary: In this study, the thermal and mechanical properties of polymorphous yttrium tantalate (YTaO4) ceramics were systematically investigated under finite temperature using first-principles calculations combined with quasi-harmonic approximation. Results showed significant variations in thermal expansion coefficients and Young's modulus among different phases, with M YTaO4 exhibiting lower values than T YTaO4. The study also highlighted the strong O-Ta bond compared to O-O and O-Y bonds, leading to a higher modulus.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Huang-Hui Jiang, Lin Shao, Ning Ding, Chao-Ren Xu, Bi-Yu Tang
Summary: This study systematically explores the structural stability, elastic characteristics, and thermodynamic properties of TiCNO and TiZrCNO. The results indicate that both materials are thermodynamically stable and have improved ductility. The influence of multi-component mixing and Zr incorporation on the properties of the ceramics should be given high attention. The investigations provide valuable insight into the mechanical and thermodynamic behavior of these multicomponent ceramics.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Wenhui Xiao, Ying Yang, Zhipeng Pi, Fan Zhang
Summary: This article investigates the phase stability and mechanical properties of YTaO4 and related modifications. The study finds that M'-RETaO4 is the stable phase at low temperatures, while RENbO4 has a monoclinic structure. The phase transformation temperature of M'->T or M->T decreases with increasing ionic radius of RE3+. Furthermore, adding Nb to the M'-RETaO4 phase induces the phase transformation temperature of M'->M.
Article
Materials Science, Ceramics
Sina Kavak, Kubra Gurcan Bayrak, Mubashir Mansoor, Mertcan Kaba, Erhan Ayas, Ozge Balci-Cagiran, Bora Derin, M. Lutfi Ovecoglu, Duygu Agaogullari
Summary: First principles calculations were used to study the (HfTiWZr)B2 high entropy diboride and showed that it has low formation energy and promising mechanical properties. The synthesized samples exhibited high hardness and low wear volume loss. The multi-phase HEBs also demonstrated low thermal conductivity and low mass gain at high temperature.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Jun Ji, Liu Zhang, Jinman Yu, William E. Lee, Simon C. Middleburgh, Dechun Li, Xuye Wang, Qinggang Li, Zhi Wang, Guopu Shi, Fei Chen
Summary: The synthesis, characterization, and first-principles calculations of Ti3SiC2/Al2O3 ceramics were investigated. The purity of the composite ceramics was confirmed through X-ray diffraction measurements. The stability and intercrystalline strengthening of Ti3SiC2/Al2O3 composite ceramics were found to be influenced by the terminations of Ti3SiC2 and Al2O3 crystals, particularly the attraction between coordinatively unsaturated Ti and O atoms on their interface.
CERAMICS INTERNATIONAL
(2021)
Article
Materials Science, Ceramics
Huahai Shen, Menglu Li, Pengcheng Li, Haiyan Xiao, Haibin Zhang, Xiaotao Zu
Summary: First-principles calculations were used to investigate defect formation and its effect on the thermodynamic properties of Pu2Zr2O7. The study found that Pu-Zr antisite and O-8a interstitial defects are easily formed in Pu2Zr2O7, decreasing elastic moduli and Debye temperature, while increasing ductility. Compared to other zirconate pyrochlores, Pu2Zr2O7 is suggested to be less resistant to radiation-induced amorphization. The study highlights the significant influence of defects created by self-radiation on the thermophysical properties of Pu2Zr2O7.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Bei Huang, Zengsheng Ma
Summary: In this study, first-principles calculations were performed to investigate the thermal-mechanical properties of LnTa(2)O(6) ceramics. The results showed that LnTa(2)O(6) has excellent fracture toughness and thermal conductivity, lower Young's modulus and comparable hardness compared to YSZ. These characteristics make LnTa(2)O(6) ceramics a promising material for next-generation turbine engines.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Bohayra Mortazavi, Mohammad Silani, Evgeny Podryabinkin, Timon Rabczuk, Xiaoying Zhuang, Alexander Shapeev
Summary: This study introduces the concept of first-principles multiscale modeling of mechanical properties and demonstrates the crucial role of machine learning interatomic potentials in achieving this goal. By investigating the mechanical/failure response, MLIPs can conveniently evaluate the mechanical properties of graphene/borophene coplanar heterostructures at room temperature.
ADVANCED MATERIALS
(2021)
Article
Materials Science, Ceramics
Ze Zhang, Shizhen Zhua, Yanbo Liu, Ling Liu, Zhuang Ma
Summary: In this study, six quaternary and quinary high-entropy transition metal and rare-earth diborides (HE TMREB2) were designed and their phase stability and properties were investigated. The results show that the addition of REB2 has a significant impact on the phase stability and thermal properties.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Guangchi Wang, Xiaoyu Chong, Zulai Li, Jing Feng, Yehua Jiang
Summary: Iron Boride (Fe2B) has potential as a wear- and corrosion-resistant ceramic due to its high hardness, good corrosion resistance, and low cost. The toughness and elastic heat resistance of Fe2B can be improved through alloying with elements like Cr and Ni.
CERAMICS INTERNATIONAL
(2022)
Article
Materials Science, Ceramics
Shiqiang Hao, Qi-Jun Hong, Michael C. Gao
Summary: It is found that the self-forming CrTaO4 oxide scale exhibits better oxidation protection for refractory high-entropy alloys compared to Cr2O3. In this study, the phase stability, mechanical properties, and thermal properties of three polymorphous phases of CrTaO4 are investigated using first-principles density functional theory calculations. The results show that all three phases are mechanically stable, but exhibit thermal softening with increasing temperature. The rutile I4(1)md phase shows the highest apparent bulk coefficient of thermal expansion and the lowest lattice thermal conductivity. The melting point of CrTaO4 is predicted to be between 1975 and 2449 K. This work provides a comprehensive theoretical understanding of the properties of CrTaO4 and offers a computational design strategy for improving the oxidation resistance of refractory alloys at high temperatures.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Yiming Li, Xuanyu Meng, Qian Chen, Jiatong Zhu, Jie Xu, Michael J. Reece, Feng Gao
Summary: By combining theoretical calculations and experiments, it was found that LaSmZr2O7 exhibits good mechanical and thermal properties, with the highest hardness achieved at a Sm3+ doping rate of 50%. This material can serve as a potential option for thermal barrier coating applications.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Weizong Bao, Tao Xiang, Zeyun Cai, Jie Chen, Longke Bao, Guoqiang Xie
Summary: Through first-principles calculations, the electronic, mechanical and thermodynamic properties of LuAlB4 ceramics were predicted. LuAlB4 ceramics are stable with high hardness and metallic properties, and their elastic anisotropy is influenced by crystal structure, showing high thermal stability.
Article
Physics, Applied
Ke Wang, Kai Ren, Dingbo Zhang, Yuan Cheng, Gang Zhang
Summary: In this study, the phonon properties and the origin of anisotropy in monolayer biphenylene were investigated using first-principles calculations and theoretical analysis. The results showed that monolayer biphenylene has multiple Raman-active and infrared-active modes, and a Raman-active single phonon mode with a high frequency, suggesting potential applications. Furthermore, the inconsistent motion speed and different intensities of hybridization between the carbon atoms were found to be responsible for the direction-dependent thermal and elastic properties in biphenylene.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Lei Li, Xueyan Yan, Bingzheng Yang, Sen Yang, Alex A. Volinsky, Xiaolu Pang
Summary: The thermal stability of AlN substrates coated with active metal was studied using first principles calculations. The results showed good thermal stability of the interface at elevated temperatures, and an orientation dependence of the interface elasticity was found. This study is helpful for the development of novel high-power microelectronic devices.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Physics, Applied
Jijun Ding, Yanxin Jin, Haixia Chen, Haiwei Fu, Chao Xu, Bing Xiao
Summary: This study investigates the adsorption properties of boron- and phosphorus-doped graphene and ZnO monolayer heterojunctions. The results show that the doped heterojunctions have better adsorption characteristics compared to the undoped heterojunction. The study also suggests a new approach to regulate the electronic and adsorption properties of the heterojunctions by adjusting the gas concentration. Additionally, the study explores the possibility of opening the bandgap and forming p-n and n-n junctions through atom doping.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Physical
Zhiwei Cheng, Bin Zhao, Yu-Jie Guo, Lianzheng Yu, Boheng Yuan, Weibo Hua, Ya-Xia Yin, Sailong Xu, Bing Xiao, Xiaogang Han, Peng-Fei Wang, Yu-Guo Guo
Summary: This study presents a strategy based on the synergetic effect of multiple selected metal ions to improve the performance of P2-type cathodes. The results demonstrate that the contribution of multi-metal ions converts the unfavorable and large-volume phase transition into a moderate structure, leading to enhanced electrode performance. The P2-Na0.7Li0.03Mg0.03Ni0.27Mn0.6Ti0.07O2 composite electrode exhibits high reversible capacity, cycling stability, and rate performance, and the full cell with a hard carbon anode achieves a high energy density.
ADVANCED ENERGY MATERIALS
(2022)
Article
Physics, Applied
Xinyu Gao, Nan Li, Andreas Kyritsakis, Mihkel Veske, Chengye Dong, Kai Wu, Bing Xiao, Flyura Djurabekova, Yonghong Cheng
Summary: In this study, multiscale-multiphysics simulations were conducted to investigate the structural evolution and thermal runaway process of W, Mo, and Cu nanotips under high electric fields. The critical electric field values for Cu, Mo, and W nanotips were predicted, and the boiling point of the metal was found to be a good indicator for the initiation of thermal runaway. The structural thermal runaway process for refractory metals like W and Mo was determined by the growth, sharpening, and thinning of small protrusions under high electric stress, while the intense atomic evaporation of Cu nanotips was caused by the ejection of large droplets generated by recrystallization and necking at the apex region.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Electrochemistry
Yuting Yin, Haoliang Liu, Fei Shen, Jiadong Zuo, Hong Guo, Bing Xiao, Xiaogang Han
Summary: This study investigates the nucleation and morphology control of lithium metal deposition through experiments and calculations. It is found that, on the modified amorphous AlN-coated copper current collector, lithium metal nucleates as a two-dimensional island rather than a dendritic structure. This approach achieves smooth and uniform lithium deposition, leading to improved cycling stability and Coulombic efficiency.
ELECTROCHIMICA ACTA
(2022)
Article
Materials Science, Multidisciplinary
Xianghui Feng, Nan Li, Baiyi Chen, Chao Zeng, Tianyu Bai, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: The reaction thermodynamics for synthesizing the 312 and 413 o-MAX phases using powder metallurgy were investigated, and the validity of the method was verified by experimental results. The formability of each phase was evaluated, and it was found that the 413 o-MAX phase is less stable and less formable compared to the 312 phase. The optimal synthetic routes were predicted for all stable phases.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Ceramics
Mengdi Gan, Xiaoyu Chong, Wei Yu, Bing Xiao, Jing Feng
Summary: Rare-earth tantalates (RETaO4) are promising thermal barrier coating (TBC) materials with low thermal conductivity, but the mechanism behind this property remains unclear. This study compares the thermal transport properties of monoclinic (m)-RETaO4 (RE = Y, Eu, Gd, Dy, Er) with ZrO2 to reveal the mechanism of low lattice thermal conductivity. The results show that strong anharmonicity and large scattering rate in m-RETaO4, derived from strong ionic bonding in the crystal structure and strong anti-crossing property of acoustic-optical phonon branches in phonon dispersion, contribute to its lower thermal conductivity compared to ZrO2. Distortion degree and stretching force constant are suggested as descriptors to screen RETaO4 with relatively lower thermal conductivity.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Physics, Applied
Xinyu Gao, Nan Li, Zifeng Song, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: Multi-scale and multi-physics simulations were conducted to investigate nano-emitters composed of FCC (Al, Cu and Au), BCC (V, Mo and W) and HCP (Ti, Zn and Zr) metals, using hybrid electrodynamics coupled with molecular dynamics-particle in cell simulations (PIC-ED-MD). It was found that the tilting of the nano-emitter at low temperature and small electric field (E-field) is mainly caused by the movement of partial dislocations or elastic local distortions of atomic registries. At high E-field, resistive heating leads to direct melting of the nano-emitter apex. The critical E-field strength of metal nano-emitters is strongly correlated with structural parameters, thermodynamic quantities and phase transition temperatures, allowing for the prediction of critical E-field values using linear fitting or regression models.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Xuewen Zhao, Mengyue Gu, Rui Zhai, Yuhao Zhang, Mengting Jin, Yanhao Wang, Jiangfan Li, Yonghong Cheng, Bing Xiao, Jinying Zhang
Summary: Recently confirmed violet phosphorus (VP) has unique photoelectric, mechanical, and photocatalytic properties. By substituting antimony for some phosphorus atoms in VP crystals, the physical and chemical properties are modified, resulting in significantly enhanced photocatalytic hydrogen evolution performance.
Article
Chemistry, Physical
Junyi Yin, Haoliang Liu, Peng Li, Xiang Feng, Minghui Wang, Chenyang Huang, Mingyan Li, Yaqiong Su, Bing Xiao, Yonghong Cheng, Xin Xu
Summary: Aqueous zinc ion batteries (AZIBs) are gaining increasing attention for large-scale energy storage systems due to their safety, low cost, and scalability. Unfortunately, the use of zinc metal anode in AZIBs is hindered by side reactions, dendrite growth, and hydrogen evolution. In this study, the introduction of trifunctional tranexamic acid (TXA) into the electrolyte is proposed to enhance the anode/electrolyte interface and regulate the solvation structure of zinc ions. The experimental and simulation results demonstrate the crucial role of TXA in controlling the anode interface chemistry and electrolyte environment, leading to improved performance and stability of AZIBs.
ENERGY STORAGE MATERIALS
(2023)
Article
Computer Science, Interdisciplinary Applications
Xianghui Feng, Nan Li, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: Thermo-lp is a computational program that evaluates the thermodynamic formability of MAX phases at finite temperature. It uses phonon density of states and electron density of states as inputs to calculate the Gibbs free energy. Thermo-lp employs linear programing optimization algorithm to assess the thermodynamic stability and optimize the synthetic pathways. The program's capabilities are demonstrated using the example of Cr2TiAlC2 o-MAX compound.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Ziang Jing, Xianghui Feng, Yiding Qiu, Nan Li, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: Through high-throughput experiments, we have successfully predicted the electrical and thermal conductivities of double-transition-metal o-MXenes. 225 double-transition-metal o-MXenes with different combinations, surface terminations, and structural types were calculated. It was found that the electrical conductivities of all investigated o-MXenes were in the range of 10(5) to 10(7) S/m, indicating their good electron conductivity. In terms of thermal conductivity, surface functionalized o-MXenes were dominated by electron thermal conduction, while lattice thermal conductivity was comparable to electron thermal conduction in intrinsic o-MXenes. Surface terminations had a significant influence on phonon and electron transport properties. O-termination tended to produce semiconducting o-MXenes, while OH-termination effectively reduced the lattice thermal conductivity of o-MXenes. Dozens of o-MXenes were predicted to be potentially excellent thermoelectric materials for the first time, with Seebeck coefficients higher than 100μV/K and ZT values larger than 0.5 at room temperature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Multidisciplinary
Nan Li, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: In this work, the quantum effects of space charge on electron field emission in metal-vacuum-metal nanogaps were studied. A self-consistent solution of the one-dimensional Poisson-Schrodinger equation and the Wentzel-Kramers-Brillouin-Jeffreys model was obtained using an in-house software. The effects of space charge field components and exchange-correlation functionals on the field emission characteristics were analyzed for different emission regimes.
FRONTIERS IN PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Lei Fu, Jun Zhou, Zilin Zhou, Bing Xiao, Nithima Khaorapapong, Yunqing Kang, Kai Wu, Yusuke Yamauchi
Summary: Efficient and durable electrocatalysts made from nanosized nonprecious-metal-based materials have gained attention for their potential use in the oxygen evolution reaction (OER). In this study, CoP nanoparticles enclosed within a CoFeP shell (CoP/CoFeP) were fabricated. The CoFeP shell with a mesoporous structure allows for effective mass transport, abundant active sites, and accessibility of the hybrid interfaces between CoP and CoFeP. As a result, the encapsulated CoP/CoFeP nanocubes demonstrate excellent OER catalytic activity, outperforming reference hollow CoFeP nanocubes and commercial RuO2. Experimental characterization and theoretical calculations indicate that the CoP/CoFeP structure with a Fe-doped shell facilitates electronic interactions between CoP and CoFeP, and promotes structural reconstruction, exposing more active sites and enhancing the OER performance. This study aims to inspire further research on nonprecious-metal catalysts with tailored nanostructures and electronic properties for the OER.
Article
Nanoscience & Nanotechnology
Mengting Liu, Bin Wu, Duo Si, Haojie Dong, Kai Chen, Lu Zheng, Xin-Yu Fan, Lianzheng Yu, Bing Xiao, Shulei Chou, Yao Xiao, Peng-Fei Wang
Summary: By substituting Mg2+ for Na0.67Ni0.33Mn0.67O2 and forming hollow rodlike structures, the structure stability and sodium ion diffusion dynamics of P2-type NaxTMO2 can be improved, leading to enhanced rate capability and cycling stability for sodium-ion storage.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Baiyi Chen, Haoliang Liu, Tianyu Bai, Zifeng Song, Jinan Xie, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: We conducted a comprehensive density functional theory investigation on the structural stability and electrochemical properties of boridenes as anode materials in rechargeable alkaline (earth) metal-ion batteries. The results show that Mo4/3B2 and Mo4/3B2O2 monolayers can accommodate various metal ions and form stable multi-layer adsorption structures. The bare Mo4/3B2 monolayer exhibits higher gravimetric capacities than Mo4/3B2O2 monolayer.
Article
Materials Science, Multidisciplinary
Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek
Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.
Article
Materials Science, Multidisciplinary
Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj
Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.
Article
Materials Science, Multidisciplinary
Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan
Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.
Article
Materials Science, Multidisciplinary
Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand
Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.
Article
Materials Science, Multidisciplinary
P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling
Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.
Article
Materials Science, Multidisciplinary
Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou
Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.
Article
Materials Science, Multidisciplinary
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai
Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.
Article
Materials Science, Multidisciplinary
X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang
Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Materials Science, Multidisciplinary
Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng
Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.
Article
Materials Science, Multidisciplinary
Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch
Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.
Article
Materials Science, Multidisciplinary
Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi
Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.
Article
Materials Science, Multidisciplinary
Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma
Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.
Article
Materials Science, Multidisciplinary
Thomas Beerli, Christian C. Roth, Dirk Mohr
Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.
Article
Materials Science, Multidisciplinary
Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen
Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.
