Article
Materials Science, Multidisciplinary
Jingpeng Hou, Keliang Qiu, Fengshi Li, Zhenyu Yang, Yonghai Yue, Yongjun Tian, Zhongchang Wang, Lin Guo
Summary: Twin boundary (TB) is a special and fundamental internal interface that alters the mechanical and physical properties of materials. The deformation mechanism of TB and its effect on material strength and plasticity are still under debate. This study discovered that the pseudoelastic strain of a TB can recover with decomposition and escape of pile-up dislocations, which opens up new possibilities for optimizing material properties by manipulating twin boundaries at the nanoscale.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Yingbin Chen, Qishan Huang, Shuchun Zhao, Haofei Zhou, Jiangwei Wang
Summary: This study demonstrates the deformation behavior of penta-twinned nanomaterials under high shear stress, showing structural destruction and core reconstruction of the penta-twins. The intrinsic deformation behaviors enable the possibility of controlling the morphology of penta-twinned nanomaterials with unique properties.
Article
Materials Science, Multidisciplinary
Jann-Erik Brandenburg, Luis A. Barrales-Mora, Sadahiro Tsurekawa, Dmitri A. Molodov
Summary: The migration behavior of grain boundaries with misorientations close to the & sigma;3 CSL orientation relationship in high purity Al bicrystals was investigated. It was found that the ability of some boundaries to move under capillary driving force depends on the initial boundary inclination. The measured migration activation enthalpy for one specific boundary was found to be the lowest among previous experiments in Al bicrystals of the same purity.
Article
Nanoscience & Nanotechnology
Zhiqiao Li, Houwen Chen, Jian-Feng Nie
Summary: In this work, the migrations of (1011) and (1013) coherent twin boundaries (CTB) in pure magnesium are studied using first-principles methods. The process of migration is divided into nucleation and gliding of twinning disconnection (TD), with TD nucleation approximated by rigid-shifting of CTB. Energetic maps obtained from this analysis reveal the necessity of applying shear strains simultaneously along the twinning direction η1 and along k1, which is normal to η1, to activate the migration of 2-layer CTB in these two different twinning modes. The energetic map identifies the most efficient external shear strain direction for initiating CTB migration, which lies between the Burgers vectors bTD-2 of the 2-layer-height TD and η1. The shear strain required to initiate TD gliding is smaller than that needed for TD nucleation, implying that the migrations of (1011) and (1013) CTBs are primarily governed by the TD nucleation.
SCRIPTA MATERIALIA
(2023)
Article
Chemistry, Multidisciplinary
Wei-Lun Weng, Hsin-Yu Chen, Yi-Hsin Ting, Hsin-Yi Tiffany Chen, Wen-Wei Wu, King-Ning Tu, Chien-Neng Liao
Summary: Surface diffusion is closely related to crystal orientation and surface structure, and fast surface diffusion accelerates phase transformation and structural evolution of materials. In this study, researchers observed that a copper nanowire with dense coherent twin-boundary (CTB) defects evolved into a zigzag configuration under electric-current driven surface diffusion. The hindrance at the CTB-intercepted concave triple junctions reduced the effective surface diffusivity significantly. This finding offers a defect-engineering method for developing robust interconnect materials against electromigration-induced failures in nanoelectronic devices.
Article
Multidisciplinary Sciences
Asghar Shirani, Yuzhe Li, Osman Levent Eryilmaz, Diana Berman
Summary: The study reveals the anti-wear capability of metal nitride-copper nanocomposite coatings in liquid hydrocarbon environments. The formation of carbon-based protective films at the sliding interface contributes to the significant reduction of wear. Analysis of tribological characteristics under different conditions provides insights into the tribocatalysis mechanism facilitating the formation of zero-wear coatings.
SCIENTIFIC REPORTS
(2021)
Article
Materials Science, Multidisciplinary
Xiyao Li, Qingkun Zhao, Yanzhong Tian, Qiannan Wang, Jitang Fan, Kexing Song, Haofei Zhou, Jiangwei Wang
Summary: This study reveals the intrinsic coupling between phase transformation and deformation twinning in pure niobium under extreme deformations. Polymorphic transformations between BCC, omega, and orthorhombic martensite phases induce three different twinning paths without classic twinning shear. Residual interfacial phases, mostly omega phases, help reduce the transformation barrier and act as important precursors for discrete twin thickening, explaining several uncommon twinning dynamics observed in BCC metals and alloys.
Article
Materials Science, Multidisciplinary
Dinh-Quan Doan, Anh-Son Tran, Ngoc-Chien Vu
Summary: The nanoindentation response of FeCoCrNiCu high-entropy alloy was studied through molecular dynamics simulation. Various grain sizes and twin lamellae thicknesses were found to significantly affect the mechanical characteristics and plastic deformation. The study revealed an inverse Hall-Petch effect in the relationship between material strength, grain size, and twin lamellae thickness. The presence of grain boundaries and twin boundaries affected atom movement and resulted in asymmetrical dispersion of atomic displacement vectors during deformation. The results also showed that pile-up height increased with grain size and decreased with twin lamellae spacing. Microstructural evolution indicated that grain rotation and grain boundary movement were dominant mechanisms in deformation with grain size reduction. Dislocation nucleation at the intersections of twin and grain boundaries also significantly affected plastic deformation, with dislocation density increasing with grain size and twin lamellae thickness.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Chaoqiang Liu, Zongyu Xie, Lin Qi, Houwen Chen, Min Song
Summary: In this study, aberration-corrected scanning transmission electron microscope was used to characterize alpha-alpha precipitates boundaries. The formation mechanism of (10 (1) over bar1)(α) and (10 (1) over bar3)(α) coherent twin boundaries (CTBs) was reported, along with the resulting lattice distortion and introduced dislocations.
Article
Materials Science, Multidisciplinary
Hongbo Xie, Xiaobo Zhao, Jingchun Jiang, Junyuan Bai, Shanshan Li, Hucheng Pan, Xueyong Pang, Hongxiao Li, Yuping Ren, Gaowu Qin
Summary: This study revealed the diffusional-displacive dominated formation mechanism of beta(1) phase in Mg-Sm alloys using aberration-corrected scanning transmission electron microscopy observation and first-principles calculations. Shear and atomic shuffling can transform hexagonal close-packed structure to face-centered-cubic structure, and beta(1) phase formation can also be realized from other intermediate phases through solute diffusion and shuffle transformation. A new habit plane on the non-close-packed plane has been identified, enriching the diffusional-displacive transformations.
MATERIALS CHARACTERIZATION
(2021)
Article
Engineering, Mechanical
Pranay Vinayak Likhar, Adarsh Divakaran, Satish Kailas
Summary: This article introduces a parallel pendulum tribometer designed for experiments at lower sliding speeds. The tribometer overcomes stiffness-related issues and has a higher resolution. The experimental results show that HDSA is more effective in reducing friction at lower sliding velocities compared to HD.
TRIBOLOGY INTERNATIONAL
(2022)
Article
Materials Science, Multidisciplinary
Jun Hui, Xiaoyong Zhang, Tao Liu, Wenguan Liu, Biao Wang
Summary: This study used first-principles calculations and tensile tests to investigate the effects of 14 metallic solutes on twin boundaries in Ti alloys. By calculating twin formation energies and examining segregation energy, the study identified how solutes influence twin boundary strength, ultimately determining maximum TB strength.
MATERIALS & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Ying Zhang, Yuxuan Hou, He Zheng, Ligong Zhao, Shuangfeng Jia, Kaixuan Li, Huayu Peng, Peili Zhao, Lei Li, Weiwei Meng, Renhui Jiang, Jianbo Wang
Summary: This study systematically investigates the effects of twin boundary orientation and spacing on the deformation mechanisms in nickel nanowires. The findings demonstrate that twin boundaries play distinct roles in the mechanical deformations of face-centered-cubic nanowires.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Enrico Gnecco, Liron Agmon, Ronen Berkovich
Summary: In this study, we numerically investigate the occurrence of long slips when a point mass representing a tip of a solid surface is driven elastically on a hexagonal surface lattice. We estimate the tip pathways and slip length histograms for different damping coefficients. Comparisons with analytical models and experimental data provide insights into the energy dissipation and quantum effects during sliding friction on the atomic scale.
Article
Chemistry, Multidisciplinary
Yi-Fen Tsai, Pai-Chun Wei, Liuwen Chang, Kuang-Kuo Wang, Chun-Chuen Yang, Yen-Chung Lai, Cheng-Rong Hsing, Ching-Ming Wei, Jian He, G. Jeffrey Snyder, Hsin-Jay Wu
Summary: The phase transition induced by Sb doping in GeTe can generate favorable spontaneous composition fluctuations and enhance the zT value of thermoelectric materials. This method can suppress thermal conductivity, maintain an appropriate carrier concentration range, and create high-performance thermoelectric materials.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Chunyang Wang, Ruoqian Lin, Yubin He, Peichao Zou, Kim Kisslinger, Qi He, Ju Li, Huolin L. Xin
Summary: Designing stable Li metal and supporting solid structures (SSS) is crucial for rechargeable Li-metal batteries. Through in situ observations of a solid-state Li-metal battery, two distinct modes of Li stripping controlled by the SSS thickness to Li deposit's radius ratio are discovered. A quantitative criterion is established to understand the damage tolerance of SSS on the Li-metal stripping pathways. This work highlights the importance of designing delicate Li-metal supporting structures for high-performance solid-state Li-metal batteries.
ADVANCED MATERIALS
(2023)
Article
Materials Science, Ceramics
Zhonghua Dai, Shengbin Wang, Yong Liu, Fanbo Zhang, Weiguo Liu, Xin Zhao, Xiangdong Ding, Minxia Fang, Xiaobing Ren
Summary: In this study, by introducing SrSc0.5Nb0.5O3 into (Bi0.5Na0.5Ti0.95Al0.025Nb0.025O3) [(1-x)BNTA-xSSN], a high recoverable energy storage density (W-rec) of about 2.7 J/cm(3) and energy storage efficiency (eta) of approximately 76% at 210 kV/cm were achieved at x=0.1; furthermore, eta was further improved to 85% at x=0.2. The modified .9BNTA-.1SSN showed excellent stability (thermal and frequency stability) at 150 kV/cm, surpassing other lead-free ceramics. The enhanced energy storage performance is attributed to increased relaxation degree and the formation of ferroelectric nanodomains, while the improved E-b is due to increased electrical resistivity and decreased grain size.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Physics, Applied
Hongyi Ouyang, Yuanqing Gu, Zhibin Gao, Lei Hu, Zhen Zhang, Jie Ren, Baowen Li, Jun Sun, Yan Chen, Xiangdong Ding
Summary: In this study, nitrogen-doped porous graphene metamaterials on the nanoscale are designed using a topological kirigami assembly, with a thermal-switching ratio of 27.79, which is more than double the value of previous work. The excellent performance is attributed to the chiral folding-unfolding deformation, resulting in a metal-insulator transition. This research provides a nanomaterial design paradigm that bridges the gap between kinematics and functional metamaterials, motivating the development of high-performance thermal regulators.
PHYSICAL REVIEW APPLIED
(2023)
Article
Materials Science, Multidisciplinary
Liqiang He, Yang Yang, Chang Liu, Yuanchao Ji, Xiaojie Lou, Lixue Zhang, Xiaobing Ren
Summary: To achieve efficient and high-density energy storage in electrostatic capacitors, dielectric materials need to exhibit good performance over a wide temperature range. In this study, a crossover composition between antiferroelectric and relaxor antiferroelectric states is found to enable a high polarization change and low hysteresis. This leads to the development of lead-free Ag1-3xLaxNb0.9Ta0.1O3 (x=0.03) ceramics that demonstrate a large recoverable energy storage density (Wrec -8.6 J/cm3) with high efficiency (eta -85%) under 460 kV/cm. The x=0.03 ceramics also show excellent energy storage properties (Wrec > 6.8 J/cm3 with ultrahigh eta -90%) in the temperature range of 20-120 degrees C, thanks to the coexistence of micro- and nano-antiferroelectric domains.
Article
Materials Science, Multidisciplinary
Xiaoqin Ke, Dong Wang, Sen Yang, Xiaobing Ren, Yunzhi Wang
Summary: We report that the single domain generated from the vortex in ferroelectric nanodots will transform back to the vortex structure after removal of the external electric field, providing a large recoverable electrostrain. This recoverable electrostrain maintains a large value and a wide temperature range. The good recoverability is mainly attributed to the dipole-dipole interaction energy and the elastic interaction energy in the system. This work may contribute to the development of miniaturized actuators in MEMS or NEMS.
Article
Chemistry, Multidisciplinary
Huanhuan Tian, Ju Li, Martin Z. Bazant
Summary: Ion concentration polarization (CP) has been extensively studied in single-phase mixed conductors, but not in multiphase systems. In our recent publication, we proposed and demonstrated the phenomenon of multiphase polarization (MP) in ion-intercalation nanofilms. We also showed that MP can lead to nonvolatile interfacial resistive switching (RS) and improved switching performance. A comprehensive 2D phase-field model was developed to study ion-electron transport in ion-intercalation materials, and the model was used to analyze the time evolution and switching characteristics of MP.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Thi Xuyen Nguyen, Jagabandhu Patra, Chia-Chien Tsai, Wen-Ye Xuan, Hsin-Yi Tiffany Chen, Matthew S. S. Dyer, Oliver Clemens, Ju Li, Subhasish Basu Majumder, Jeng-Kuei Chang, Jyh-Ming Ting
Summary: High entropy oxide (HEO) is a new type of anode material for Li-ion batteries that allows for customized charge-discharge properties. However, the impact of a secondary phase has been overlooked. In this study, two types of Co-free HEOs were prepared, one with a plain cubic structure and the other with an additional tetragonal spinel oxide phase. It was found that the secondary phase improved the redox kinetics and reversibility of the electrodes. The cycling stability of the electrodes was also validated using density functional theory calculations. This study demonstrates for the first time the enhanced rate capability and cyclability of HEO electrodes induced by a secondary phase.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Jaekyung Sung, So Yeon Kim, Avetik Harutyunyan, Maedeh Amirmaleki, Yoonkwang Lee, Yeonguk Son, Ju Li
Summary: All-solid-state batteries with metallic lithium (Li-BCC) anode and solid electrolyte (SE) are facing challenges due to the unstable SE/Li-BCC interface. This study demonstrates the use of an ultra-thin nanoporous mixed ionic and electronic conductor (MIEC) interlayer to regulate Li-BCC deposition and stripping and improve the stability of the interface. The full-cell with this design shows high specific capacity, initial Coulombic efficiency, capacity retention, and rate capability.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Hao Tang, Ariel Rebekah Barr, Guoqing Wang, Paola Cappellaro, Ju Li
Summary: Spin qubits associated with color centers show promise for various quantum technologies, but their intrinsic properties need to be known precisely under external conditions such as temperature and strain. This research develops a first-principles method to determine the temperature dependence of color centers' properties and demonstrates its accuracy with the NV-center in diamond. This method can be applied to different color centers and is useful for designing high-precision quantum sensors.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Physics, Multidisciplinary
Minxia Fang, Yuanchao Ji, Yan Ni, Wenjia Wang, Hengmin Zhang, Xifei Wang, Andong Xiao, Tianyu Ma, Sen Yang, Xiaobing Ren
Summary: In this letter, researchers report a surprising low-temperature toughening phenomenon in a La-doped CaTiO3 perovskite ceramic. The fracture toughness of the ceramic increases by 2.5 times when cooling from above room temperature down to cryogenic temperature, due to the emergence of nanosized orthorhombic ferroelastic domains from the existing tetragonal ferroelastic matrix. This finding may lead to the design of tough ceramics with a wide temperature range and provide insights into reentrant transitions in other ferroic systems.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Yang Yang, Weiyue Zhou, Sheng Yin, Sarah Y. Wang, Qin Yu, Matthew J. Olszta, Ya-Qian Zhang, Steven E. Zeltmann, Mingda Li, Miaomiao Jin, Daniel K. Schreiber, Jim Ciston, M. C. Scott, John R. Scully, Robert O. Ritchie, Mark Asta, Ju Li, Michael P. Short, Andrew M. Minor
Summary: Corrosion is a common failure mode in materials. The authors report a percolating 1D wormhole corrosion morphology using advanced electron microscopy and theoretical simulations. The work presents a vacancy mapping method with nm-resolution, identifying the incubation sites of the wormholes.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Yaoshen Niu, Zilin Hu, Bo Zhang, Dongdong Xiao, Huican Mao, Lin Zhou, Feixiang Ding, Yuan Liu, Yang Yang, Juping Xu, Wen Yin, Nian Zhang, Zhiwei Li, Xiqian Yu, Hao Hu, Yaxiang Lu, Xiaohui Rong, Ju Li, Yong-Sheng Hu
Summary: This study successfully utilizes Mg2+ to activate the oxygen redox reaction in abundant Fe/Mn-based layered cathodes, achieving reversible anionic and cationic redox capacities. This leads to lower cost, higher energy density, and improved cycling performance of Na-ion batteries.
ADVANCED ENERGY MATERIALS
(2023)
Article
Physics, Multidisciplinary
Haowei Xu, Changhao Li, Guoqing Wang, Hua Wang, Hao Tang, Ariel Rebekah Barr, Paola Cappellaro, Ju Li
Summary: Photons and nuclear spins are important building blocks in quantum information science and technology. In this work, an optonuclear quadrupolar (ONQ) effect is proposed, which allows efficient coupling between optical photons and nuclear spins without the need for ancilla electron spins. This effect has advantages in terms of applicability and coherence time, and can be fine-tuned to minimize material heating and match telecom wavelengths.
Article
Multidisciplinary Sciences
Jiaojian Shi, Haowei Xu, Christian Heide, Changan HuangFu, Chenyi Xia, Felipe de Quesada, Hongzhi Shen, Tianyi Zhang, Leo Yu, Amalya Johnson, Fang Liu, Enzheng Shi, Liying Jiao, Tony Heinz, Shambhu Ghimire, Ju Li, Jing Kong, Yunfan Guo, Aaron M. Lindenberg
Summary: The authors report giant room-temperature nonlinearity enhancements in Janus transition metal dichalcogenides, which may be leveraged through electronic band topology. The giant nonlinear optical response is linked to topological band mixing and strong inversion symmetry breaking due to the Janus structure. This work defines general protocols for designing materials with large nonlinearities and heralds the applications of topological materials in optoelectronics.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Hao Tang, Boning Li, Yixuan Song, Mengren Liu, Haowei Xu, Guoqing Wang, Heejung Chung, Ju Li
Summary: This study develops a method using reinforcement learning to accelerate the simulation of atomic diffusion in alloys, and achieves some interesting results through testing.
