Article
Nanoscience & Nanotechnology
Mengrong Li, Pengzhan Ying, Zhengliang Du, Xianglian Liu, Xie Li, Teng Fang, Jiaolin Cui
Summary: By alloying with Ag0.5Bi0.5Se and ZnO sequentially, both the electronic and phonon transports of SnTe were engineered to increase the Seebeck coefficient and reduce thermal conductivity. This synergistic engineering led to a significant improvement in TE performance with a peak ZT value of about 1.2 at around 870 K for the sample.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Nanoscience & Nanotechnology
Luping Qu, Chao Yang, Yong Luo, Zhengliang Du, Cong Li, Jiaolin Cui
Summary: In this study, the incorporation of defect zinc-blende cubic structure In2Te3 into CTS was proposed to regulate the electronic and phonon transport mechanism. The synergy engineering achieved a remarkable improvement in TE performance with the highest ZT value of 0.92 at 718 K.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Jan-Hendrik Poehls, Marissa MacIver, Sevan Chanakian, Alexandra Zevalkink, Yu-Chih Tseng, Yurij Mozharivskyj
Summary: Thermoelectric materials, which convert thermal energy into electrical energy, have the potential to address the global climate crisis. This study explores the use of lithium to reduce the lattice thermal conductivity of chalcopyrite CuGaTe2, improving its thermoelectric performance. The findings show that introducing lithium leads to a significant reduction in lattice thermal conductivity without compromising the electronic properties, resulting in an increase in the average zT of Cu0.90Li0.05Ag0.05GaTe2 by 56%.
CHEMISTRY OF MATERIALS
(2022)
Article
Multidisciplinary Sciences
B. Andriyevsky, I. E. Barchiy, I. P. Studenyak, A. Kashuba, M. Piasecki
Summary: The study on the thermoelectric properties of copper-based argyrodite structure reveals that the strong nonlinearity of copper atom vibrations results in lower thermal conductivity and relatively higher thermoelectric figure of merit.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Yingcai Zhu, Dongyang Wang, Tao Hong, Lei Hu, Toshiaki Ina, Shaoping Zhan, Bingchao Qin, Haonan Shi, Lizhong Su, Xiang Gao, Li-Dong Zhao
Summary: Thermoelectric generators convert waste heat to electricity, but their efficiency is a major obstacle. By incorporating AgInSe2, we have achieved multiple valence bands and strong phonon scattering in p-type PbSe, leading to improved thermoelectric performance.
NATURE COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Bindu Rani, Aadil Fayaz Wani, Utkir Bahodirovich Sharopov, Lokanath Patra, Jaspal Singh, Atif Mossad Ali, A. F. Abd El-Rehim, Shakeel Ahmad Khandy, Shobhna Dhiman, Kulwinder Kaur
Summary: This study discusses the thermoelectric properties of PdXSn (X = Zr, Hf) half Heusler materials and investigates the lattice thermal conductivity using effective mass and deformation potential theory. The results indicate that both alloys are stable indirect band gap semiconductors, and their electrical/thermal conductivity is inversely proportional to the effective mass of electrons/holes.
Article
Chemistry, Physical
Yangfan Cui, Xiaojun Wang, Shuai Duan, Xin Chen, Xiaobing Liu
Summary: This article introduces a new semiconducting phase in TaS3, called the C2/m phase, which has beneficial multivalley band dispersions for electronic transport and a unique nano-pore structure that reduces thermal conductivity. It shows potential high-performance thermoelectric capability.
JOURNAL OF MATERIOMICS
(2022)
Article
Chemistry, Physical
Bin Yang, Shuangming Li, Xin Li, Zhenpeng Liu, Dou Li, Hong Zhong, Songke Feng
Summary: Through theoretical calculations, the lattice thermal conductivity contributions of SnTe were synthesized, with acoustic modes identified as the major contributor. Additionally, designing nanostructures with characteristic lengths less than 14.5nm proved to be an effective method for reducing thermal conductivity.
Article
Chemistry, Physical
Suiting Ning, Shan Huang, Ziye Zhang, Bin Zhao, Renqi Zhang, Ning Qi, Zhiquan Chen
Summary: The thermoelectric properties of intrinsic n-type β-Ga2O3 were evaluated using first-principles calculations and transport theory. A large Seebeck coefficient and good electron mobility were observed. The lattice thermal conductivity can be reduced by adjusting the grain size. These findings suggest the potential application of β-Ga2O3 in high temperature thermoelectric conversion.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Chao Yang, Yong Luo, Yafen Xia, Teng Fang, Zhengliang Du, Xie Li, Jiaolin Cui
Summary: In this study, the electronic and phonon transports in Cu8GeSe6 compound were engineered by incorporating In2Te3 species, resulting in improved thermoelectric performance.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Multidisciplinary Sciences
Lizhong Su, Dongyang Wang, Sining Wang, Bingchao Qin, Yuping Wang, Yongxin Qin, Yang Jin, Cheng Chang, Li-Dong Zhao
Summary: Thermoelectric materials offer the potential for direct conversion of heat into electricity. Phonon-electron decoupling plays a critical role in achieving high-performance thermoelectrics.
Article
Chemistry, Multidisciplinary
C. Y. Wu, X. L. Li, J. C. Han, H. R. Gong, S. F. Zhou
Summary: Combining first-principles calculations and Boltzmann transport theory, this study comparatively investigated the thermoelectric properties of square/octagon (s/o)-bismuth monolayer. The results show that s/o-bismuth monolayer exhibits better thermoelectric properties compared to beta-bismuth monolayer due to lower lattice thermal conductivity and weakened electron-phonon coupling. Phonon frequency and group velocity are found to play important roles in determining the lattice thermal conductivity of s/o-bismuth monolayer, while the Seebeck coefficient and figure of merit are higher than those of beta-bismuth monolayer.
Article
Chemistry, Multidisciplinary
Jiaxin Chen, Yan Gu, Haitao Zhou, Lin Pan, Yifeng Wang, Chunlei Wan, Shengping He
Summary: By decorating micro-nanoscale AgSnSe2 along grain boundaries of Cu2Sn0.9Co0.1S3, an enhanced ZT value can be achieved while maintaining a high power factor. The AgSnSe2 phase serves as a charge carrier filter, reducing the conductivity and thermal conductivity, and phonon scattering is enhanced by the AgSnSe2 phase as a phonon barrier. A maximum ZT value of 0.93 is obtained in Cu2Sn0.9Co0.1S3-3 wt% AgSnSe2.
Article
Chemistry, Physical
Xiangmei Yan, Sikang Zheng, Zizhen Zhou, Hong Wu, Bin Zhang, Yuling Huang, Xu Lu, Guang Han, Guoyu Wang, Xiaoyuan Zhou
Summary: This study reports significantly improved thermoelectric performance in Sb, Mn-codoped SnTe synthesized by energy-efficient melt spinning, achieving peak zT values that are 110% and 340% higher than those of SnTe. The enhancement in performance is attributed to intensified phonon scattering and valence band convergence, demonstrating the effectiveness of microstructure and band structure engineering in improving thermoelectric properties.
Article
Chemistry, Physical
Chuang Jia, Xiao Xu, LiJie Zhong, DingXuan Kang, Peng Shen, Biao Xu, Jing Bai, Feng Xue, Kang Yin, BeiBei Zhu, Li Tao
Summary: This study demonstrates that the thermal conductivity of Cu70Ni30 alloy can be significantly reduced and thermoelectric performance can be improved by creating micron-scale defects through sintering melt-spun ribbons. However, these defects also reduce the charge carrier concentration, mobility, and electrical conductivity.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Shengnan Dai, Changdong Liu, Jinyan Ning, Chenguang Fu, Jinyang Xi, Jiong Yang, Wenqing Zhang
Summary: This study reveals the influence of electron-phonon interactions on the lattice thermal conductivity of thermoelectric materials at different temperatures and carrier concentrations. It is found that TiCoSb and ZrIrSb compounds show the largest reductions in thermal conductivity (32% and 20%) due to the electron-phonon interactions at a carrier concentration of 1021 cm-3 and 300 K. Strong electron-phonon coupling and increased electronic density of states at the Fermi level are beneficial for reducing the thermal conductivity.
MATERIALS TODAY PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Weishu Liu, Zhijia Han, Jialin Ji, Tao Feng, Jiong Yang, Wenqing Zhang
Summary: Thermoelectric materials are of great interest for their ability to convert thermal energy and electrical power. New materials and strategies are being explored to achieve high values of ZT, a key parameter for thermoelectric materials. This study shows that (ZT)max has a nearly linear relationship with B*, which combines mobility, thermal conductivity, and bandgap into a single parameter. The authors suggest that pursuing high values of U*, large bandgap, and low lattice thermal conductivity can lead to high B*, making it an effective screening parameter for new thermoelectric materials.
MATERIALS TODAY PHYSICS
(2023)
Article
Nanoscience & Nanotechnology
Xinyue Zhang, Genwang Wei, Ye Sheng, Wenjun Bai, Jiong Yang, Wenqing Zhang, Caichao Ye
Summary: High-performance organic semiconductors (OSCs) can be designed by identifying functional units and their role in material properties. A Python-based polymer-unit recognition script (PURS) is proposed to generate polymer-unit fingerprints (PUFp) and classify OSCs based on structure-mobility relationships. The scheme combines machine learning approaches and PUFp information to actively guide the design of high-mobility OSC materials.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Yang Hua, Wei Bai, Shengnan Dai, Rongjie He, Pengfei Nan, Liang Sun, Jiong Yang, Bo Sun, Binghui Ge, Chong Xiao, Yi Xie
Summary: Currently, the focus has been on layered materials in the search for materials with high kappa anisotropy ratios. However, the limited quantity and lower workability of these materials compared to non-layered ones have led to exploration of non-layered materials instead. In this study, using PbSnS3 as an example, it was found that the maldistribution of chemical bond strength in non-layered materials can result in large anisotropy of kappa. The findings reveal an anisotropy ratio in PbSnS3 that is among the highest ever reported in non-layered materials, surpassing classical layered materials like Bi2Te3 and SnSe. These findings not only expand the exploration of high anisotropic kappa materials but also offer new possibilities for thermal management applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Physical
Xiangdong Wang, Ye Sheng, Jinyan Ning, Jinyang Xi, Lili Xi, Di Qiu, Jiong Yang, Xuezhi Ke
Summary: Thermoelectric materials have the potential to convert heat to electricity and vice versa, making them ideal for solid-state power generation and refrigeration. However, traditional methods of developing these materials are time-consuming and expensive. This paper reviews the recent progress in machine learning-based research on thermoelectric materials, including predicting and optimizing their properties and developing functional materials with targeted thermoelectric properties. The future research directions are also discussed.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Physics, Multidisciplinary
Yunxiu Li, Jinyan Ning, Jinyang Xi, Shenghao Wang, Jiong Yang
Summary: Fluctuations in operating temperatures can have a significant impact on the efficiency of solar cells due to changes in the electronic structures of absorption layer materials. We used the EPR method to study the temperature dependence of the band gap of FeS2 and found that the band gap reduction caused by vibrations is small and can be explained by the counteracting influences of different phonon modes. Our analysis also revealed that the shortening of the S-S bond length and the change in the Fe-S bond length are responsible for the increase and decrease in the band gap of FeS2, respectively.
Article
Materials Science, Multidisciplinary
Yu He, Xin Li, Jiong Yang, Weimin Li, Gang Li, Tingjun Wu, Wenjie Yu, Lei Zhu
Summary: Current-induced spin polarization or electric-field-controlled energy splitting has potential applications in spintronic devices such as spin-orbit torque devices and spin transistors. In this study, a high-throughput workflow using the three-point-spin-texture method was designed to screen for materials with large spin-split energy. A total of 440 Rashba, 411 Dresselhaus, and 469 Zeeman-type candidate materials were identified. The spin-split energies of KSnSb, TaSi2, and PtN2 were found to be 0.19 eV, 0.82 eV, and 0.55 eV, respectively. This work expands the materials database for spintronic devices and facilitates further experimental research.
RESULTS IN PHYSICS
(2023)
Article
Multidisciplinary Sciences
Qingxin Dong, Junsen Xiang, Zhen Wang, Yunxiu Li, Rui Lu, Te Zhang, Nan Chen, Yifei Huang, Yiyan Wang, Wenliang Zhu, Guodong Li, Huaizhou Zhao, Xinghua Zheng, Shuai Zhang, Zhian Ren, Jiong Yang, Genfu Chen, Peijie Sun
Summary: This research reports a compound, TlCu3Te2, with remarkably high thermoelectric performance due to its quasi-one-dimensional structure. The compound exhibits outstanding thermoelectric performance at 300K and 400K, which is attributed to large power factors and small lattice thermal conductivities. It represents the first bulk material with quasi-uniaxial thermoelectric transport and provides a new opportunity for high-performance thermoelectricity.
Article
Materials Science, Multidisciplinary
Mingjia Yao, Jialin Ji, Xin Li, Zhenyu Zhu, Jun-Yi Ge, David J. Singh, Jinyang Xi, Jiong Yang, Wenqing Zhang
Summary: Two-dimensional materials (2DMs) possess unique physical and chemical properties not found in other material classes. We employed high-throughput computational screening to identify high-mobility 2DM semiconductors. By evaluating properties such as band gap, magnetism, elasticity, and deformation potential, we predicted 19 2DMs with high mobilities at room temperature and good dynamic stability. These materials show promising potential for semiconductor electronic devices.
SCIENCE CHINA-MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Chenxin Wang, Zirui Dong, Jiajun Chen, Zhili Li, Lu Gan, Jiong Yang, Jiye Zhang, Jun Luo
Summary: TiFeSb can be stabilized by filling Ni to the vacant 4d site of the half-Heusler structure, leading to the formation of a single-phase TiFeNi0.1Sb alloy. By designing and synthesizing TiFe1.1-xNixSb (x = 0.1-1.0) samples with more valence electrons, improved thermoelectric properties were achieved. The p-type TiFe0.8Ni0.3Sb and n-type TiFe0.3Ni0.8Sb exhibited dimensionless thermoelectric figure of merits zT of about 0.6 and 0.4 at 973 K, respectively.
SCIENCE CHINA-MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Jialin Ji, Zhehong Liu, Jianhong Dai, Di Qiu, Jiong Yang, Jinyang Xi, Youwen Long, Wenqing Zhang
Summary: Low-frequency cluster vibration, specifically the delocalized cluster vibration, significantly reduces the lattice thermal conductivity by interrupting acoustic vibrations. In this study, the delocalized cluster vibration was observed in the transition-metal oxide Bi3Ir3O11, leading to a much lower thermal conductivity value compared to other metallic materials. The discovery of this phenomenon contributes to a better understanding of lattice thermal transport and opens up possibilities for designing materials with improved thermal insulation properties.
MATERIALS TODAY PHYSICS
(2023)
Article
Physics, Multidisciplinary
Shen Han, Shengnan Dai, Jie Ma, Qingyong Ren, Chaoliang Hu, Ziheng Gao, Manh Duc Le, Denis Sheptyakov, Ping Miao, Shuki Torii, Takashi Kamiyama, Claudia Felser, Jiong Yang, Chenguang Fu, Tiejun Zhu
Summary: This study finds that aliovalent doping can be more effective in reducing the lattice thermal conductivity of thermoelectric semiconductors compared to isoelectronic alloying. The introduction of aliovalent dopants leads to the softening and deceleration of optical phonons, resulting in a significant reduction in thermal conductivity. Moreover, the heavy dopant can induce the avoided crossing of acoustic and optical phonon branches, further suppressing phonon propagation.
Article
Materials Science, Multidisciplinary
Yifan Zhu, Erting Dong, Hongliang Yang, Lili Xi, Jiong Yang, Wenqing Zhang
Summary: This work investigates the application of the Green-Kubo method based on machine-learning interatomic potentials and equilibrium molecular dynamics (GK-MLIP-EMD) in thermal transport simulations of solids. Using β-Cu2-xSe (0 x 0.05) as an example, it is found that the GK-MLIP-EMD approach fails to evaluate the lattice thermal conductivities (κLs) for β-Cu1.95Se, while a direct method based on nonequilibrium molecular dynamics reliably predicts these values. The failure of GK-MLIP-EMD for β-Cu1.95Se is attributed to the ambiguous projection of the local atomic potential energy Ui in MLIPs.
Article
Chemistry, Physical
Pu Miao, Cheng Yang, Shen Han, Shengnan Dai, Airan Li, Lili Xi, Jiong Yang, Tiejun Zhu, Chenguang Fu
Summary: The electrical and thermal transport properties of LuNiSb-based compounds were simultaneously improved by aliovalent doping of Sn and Co, resulting in a significant suppression of lattice thermal conductivity. Compared with Co-doped compounds, Sn-doped ones showed better electrical performance, likely due to a weaker perturbation of the valence band. This work highlights the simultaneous optimization of electrical and thermal transport properties through aliovalent doping, paving the way for the development of high-performance thermoelectric materials.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Peng-Fei Luo, Shengnan Dai, Yuting Zhang, Xin Liu, Zhili Li, Jiye Zhang, Jiong Yang, Jun Luo
Summary: This study successfully designed and synthesized alloyed triple Half-Heusler alloys with low lattice thermal conductivity, showing great potential as high-performance thermoelectric materials in high-temperature applications. The random distribution of Fe/Co/Cu greatly enhances point-defect phonon scattering, leading to significantly lower lattice thermal conductivity. Furthermore, the electrical transport properties can be optimized through partial substitution of Cu with Fe.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
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.
