Article
Physics, Multidisciplinary
Wenshuai Gao, Zheng Chen, Wensen Wei, Chao Yan, Shasha Wang, Jin Tang, Ranran Zhang, Lixun Cheng, Pengfei Nan, Jie Wang, Yuyan Han, Chuanying Xi, Binghui Ge, Lin He, Haifeng Du, Wei Ning, Xiangde Zhu, Mingliang Tian
Summary: We present a comprehensive study on Cu1.89Te single crystals using transport measurements, electron microscopy, and Raman spectroscopy. The material exhibits metal-semiconductor transitions at low temperatures and linear magnetoresistance up to 33 T. Electron diffraction patterns reveal a stable room-temperature phase with a modulated superstructure. Structural transitions from the room-temperature commensurate I phase to the low temperature commensurate II phase are observed through transmission electron microscopy and scanning tunneling microscopy. The results provide evidence for charge density wave formations in Cu1.89Te and suggest potential applications in future nano-devices.
CHINESE PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Fang Yuan, Qiang Chen, Yuejun Zheng, Weipeng Wan, Liang Ding, Zhanshan Sun, Yunqi Fu
Summary: We report a deterministic approach to decouple the phase and amplitude of reflected waves based on a single-layer metasurface. This approach allows for the generation of 1-bit phase meta-atoms with a natural 180-degree phase difference and controllable amplitude. These phase meta-atoms have potential in wavefront manipulation and radar applications.
MATERIALS & DESIGN
(2023)
Review
Chemistry, Physical
Gabriel R. Reisinger, Klaus W. Richter
Summary: This systematic review provides a bibliographic analysis of literature on vanadium based layered compounds, summarizing different synthesis approaches and structural data for further research possibilities in this field.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Engineering, Civil
Zhejian Li, Yufeng Wen, Xianlong Wen, Hong Hao, Wensu Chen
Summary: This study investigates the influence of geometric configurations on the impact resistance performance of single and double-layered kirigami corrugated (KC) sandwich panels. A kirigami corrugate unit is formed by folding a portion of the cell wall of a conventional corrugated unit, resulting in significantly improved resistance. The impact resistance performances of 38 numerical configurations of the panels are evaluated, and it is found that single-layered KC panels with more fold-ins demonstrate superior impact resistance, while the impact resistance of double-layered KC panels is not directly linked to the stacking configuration and layer orientation.
Article
Engineering, Environmental
Lianshan Ni, Ruiting Guo, Wentao Deng, Baowei Wang, Jun Chen, Yu Mei, Jinqiang Gao, Xu Gao, Shouyi Yin, Huanqing Liu, Shu Zhang, Guoqiang Zou, Hongshuai Hou, Xiaobo Ji
Summary: This study successfully improved the structure stability and cycling durability of single-crystalline Ni-rich LiNi0.83Co0.11Mn0.06O2 cathode prepared by molten salt-assisted method, which showed superior capacity retention after 100 cycles. Moreover, increasing Ni fraction can effectively enhance the discharge capacity and energy density, but may lead to aggravated particle microcracking when Ni proportion is higher than 88%, affecting cycling performance.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Polymer Science
Arkarapol Thumwong, Jitsuna Darachai, Kiadtisak Saenboonruang
Summary: This study compared the X-ray attenuation capabilities in natural rubber composites containing bismuth oxide in different layer structures and found that three-layered NR composites exhibited higher shielding properties. Increasing the Bi2O3 content in the middle layer further enhanced the X-ray shielding properties of the composites.
Article
Chemistry, Multidisciplinary
Chia-Hsing Wu, Yu-Che Huang, Yen-Teng Ho, Shu-Jui Chang, Ssu-Kuan Wu, Ci-Hao Huang, Wu-Ching Chou, Chu-Shou Yang
Summary: This study successfully grew a single-phase two-dimensional indium monoselenide (γ-InSe) film, which has high electron mobility and high photoresponsivity, making it attractive for future field-effect transistor and optoelectronic devices. The transformation from the initial 2D α-In2Se3 phase to a 2D γ-InSe crystal was achieved by solid-phase epitaxy with controlled deposition time.
Article
Optics
Jie Hu, Yujie Chen, Wenting Zhang, Ziyi Tang, Xiang Lan, Qinrong Deng, Hengyu Cui, Ling Li, Yijia Huang
Summary: This article proposes a simple yet powerful design methodology for single-layered reconfigurable metasurfaces composed of nonvolatile phase-change material Ge2Sb2Se4Te1 (GSST). The proposed metasurfaces have independent phase control and introduce another polarization degree of freedom, enabling multi-focus metalens, multistate vortex beam generator, and multi-channel meta-hologram. These multifunctional metasurfaces with tunability and compactness show great potential in various applications including information encryption, chiroptical spectroscopy, chiral imaging, and wireless communication.
Article
Biochemistry & Molecular Biology
Chao Zhang, Wei Zhao, Samuel W. Duvall, Kimberly A. Kowallis, W. Seth Childers
Summary: The scaffolding protein PodJ regulates the subcellular positioning and activity of PleC, impacting the signaling networks within the cell.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Jianming Sun, Xin Cao, Huijun Yang, Ping He, Michael A. Dato, Jordi Cabana, Haoshen Zhou
Summary: Compared with polycrystal cathode materials, single-crystal cathode materials exhibit excellent structural stability and high voltage stability during cycling. However, the origin of this high voltage stability is not well understood. In this study, the evolution of phase transitions was tracked, revealing that single-crystal cathode materials effectively suppress destructive volume change and formation of H3 phase, thereby maintaining high voltage stability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Hangfeng Zhang, A. Dominic Fortes, Henry Giddens, Theo Graves Saunders, Matteo Palma, Isaac Abrahams, Haixue Yan, Yang Hao
Summary: In this study, a new type of material with antiferroelectric characteristics has been reported, despite having a polar crystal structure. The material exhibits double polarization-electric field hysteresis loops over a wide range of electric field and temperature, which is different from previous observations. The study also reveals the phase transitions and structural changes in the material, and confirms its stable dielectric performance in the microwave frequency range.
INORGANIC CHEMISTRY
(2022)
Review
Chemistry, Physical
Longbo Jiang, Ding Zhou, Jinjuan Yang, Shaoyu Zhou, Hou Wang, Xingzhong Yuan, Jie Liang, Xiaodong Li, Yaoning Chen, Hui Li
Summary: MXenes are a class of two-dimensional inorganic compounds composed of transition metal carbides, nitrides, or carbonitrides, with properties that can be regulated by external strain and number of layers. SFL-MXenes exhibit superior properties such as low ion diffusion barrier and high specific surface area. Fabrication methods for SFL-MXenes include both top-down and bottom-up strategies, with applications spanning various fields.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Weihao Zeng, Fang Liu, Jinlong Yang, Bingkai Zhang, Fei Cao, Weixi Tian, Juan Wang, Ruohan Yu, Fanjie Xia, Haoyang Peng, Jingjing Ma, Zhenbo Wang, Shichun Mu, Jinsong Wu
Summary: In this study, a robust double layer cathode-electrolyte interphase (CEI) is introduced onto the surface of Li1.2Ni0.2Mn0.6O2, which effectively blocks the phase transition and diffusion of TM-ions, and relieves the voltage decay and capacity fading. The modified DL-LLO exhibits a voltage drop of only 0.83 mV per cycle and a capacity retention of 82.5 % over 300 cycles at 1 C.
ENERGY STORAGE MATERIALS
(2023)
Article
Chemistry, Physical
Yaohua Feng, Hui Xu, Bo Wang, Kuanyou Tuo, Peng Wang, Shimin Wang, Wenbiao Liang, Hongli Lu, Shiyou Li
Summary: The structural evolution of Ni-rich layered oxide LiNi0.8Co0.1Mn0.1O2 at different cycling rates shows that at low rates, the material evolves from a layered structure to a rock salt phase structure, while at high rates, it evolves to a spinel structure. Electrochemical performances reveal that maintaining capacity is higher at low rates (78.23% after 300 cycles at 1 C) than at high rates (65.76% at 2 C). This suggests that forming a stable rock salt phase layer on the material's surface at low rates helps maintain particle integrity and lithium-ion transmission rate better.
Article
Physics, Multidisciplinary
Shutong Li, Turan Birol
Summary: This study demonstrates that electron doping can enhance oxygen octahedral rotations in certain hybrid-improper ferroelectrics, thereby strengthening structural polarization. Using this design strategy, a cation ordered Ruddlesden-Popper compound has been predicted to be driven into a metallic ferroelectric-like phase via electrolyte gating.
PHYSICAL REVIEW LETTERS
(2021)
Article
Engineering, Electrical & Electronic
Yan Zhang, Dao Wang, Chunlai Luo, Jiayun Cheng, Siying Huo, Beijing Zhang, Ruiqiang Tao, Deyang Chen, Zhen Fan, Ji-Yan Dai, Xubing Lu, J-M Liu
Summary: We demonstrate a simple and efficient method to regulate the high coercive field (Ec) value of Hf0.5Zr0.5O2 (HZO) films through interface modification. By varying the ultraviolet-ozone (UV-O-3) irradiation time, we achieve well-controlled Ec values and maintain a relatively high 2P(r) level.
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2022)
Article
Chemistry, Physical
Zizhen Zhou, Kunling Peng, Shijuan Xiao, Yiqing Wei, Qinjin Dai, Xu Lu, Guoyu Wang, Xiaoyuan Zhou
Summary: In the topological semimetal BaAgBi, lower degeneracy p-type Dirac bands synergistically produce higher Seebeck coefficient and electrical conductivity. The anomalous transport phenomenon originates from asymmetric electronic structures, including complete p-type Dirac bands and additional parabolic conduction valleys.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Yufeng Huo, Shijuan Xiao, Lu Dai, Yuling Huang, Sikang Zheng, Zhiran Wang, Peng Chen, Guang Han, Xu Lu, Xiaoyuan Zhou, Guoyu Wang
Summary: In this paper, enhanced thermoelectric performance was achieved in SmMg2Bi2 by Ca-alloying and Ge-doping. The introduction of point defects by alloying Ca reduces the lattice thermal conductivity, while Ge doping increases the hole concentration and improves the power factor. The optimized sample showed significant enhancement in thermoelectric properties.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Honghui Wang, Zizhen Zhou, Jianjun Ying, Ziji Xiang, Rui Wang, Aifeng Wang, Yisheng Chai, Mingquan He, Xu Lu, Guang Han, Yu Pan, Guoyu Wang, Xiaoyuan Zhou, Xianhui Chen
Summary: Magnetic topological semimetal TbPtBi exhibits excellent thermoelectric performance with high transverse and longitudinal thermopower as well as power factor. The large thermopower and power factor are attributed to the bipolar effect and large Hall angle. This discovery demonstrates the great potential of topological semimetals for thermoelectric applications and provides a new candidate for magneto-thermoelectrics.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
De Zhang, Xincan Wang, Hong Wu, Yuling Huang, Sikang Zheng, Bin Zhang, Huixia Fu, Zien Cheng, Pengfei Jiang, Guang Han, Guoyu Wang, Xiaoyuan Zhou, Xu Lu
Summary: High electrical performance in Cu3SbS4 is achieved by creating high valence vacancies and using aluminum as a vacancy stabilizer. The addition of CuAlS2 improves the average power factor to 16.1 mu W cm(-1) K-2, and further addition of AgAlS2 reduces the thermal conductivity, resulting in a peak zT of 1.3 and an average zT of 0.77. These findings provide insights into a new strategy for high-efficiency doping in thermoelectric materials.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Peng Chen, Hong Wu, Bin Zhang, Zizhen Zhou, Sikang Zheng, Lu Dai, Yufeng Huo, De Zhang, Yanci Yan, Kunling Peng, Guang Han, Xu Lu, Xiaoyuan Zhou, Guoyu Wang
Summary: In this study, Ge1-xInxSb2Te4 single crystals were grown by Bridgman method and their anisotropic thermoelectric properties were systematically investigated. Lower electrical conductivity and higher Seebeck coefficient were observed in the c-axis direction due to the higher effective mass in this direction. Indium doping introduced an impurity band and locally distorted density of states near the Fermi level, contributing to enhanced Seebeck coefficient and improved power factor. Ultimately, Ge0.93In0.07Sb2Te4 exhibited a peak zT value of 1 at 673 K and an average zT value of 0.68 within 323-773 K, which were 54% and 79% higher than that of the pristine GeSb2Te4 single crystal, respectively. This study clarified the origin of intrinsic low lattice thermal conductivity and anisotropic transport properties in GeSb2Te4, and provided insights for optimizing the performance of other layered thermoelectric materials.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Sikang Zheng, Shijuan Xiao, Kunling Peng, Yu Pan, Xiaolong Yang, Xu Lu, Guang Han, Bin Zhang, Zizhen Zhou, Guoyu Wang, Xiaoyuan Zhou
Summary: A route is proposed based on crystal symmetry arguments to facilitate the charge transport of quasi-2D semiconductors. It is found that the horizontal mirror symmetry can eliminate the electron-phonon coupling strength mediated by phonons with purely out-of-plane vibrational vectors in quasi-2D systems. In ZrBeSi-type quasi-2D systems, the representative sample Ba1.01AgSb shows a record high room-temperature hole mobility of 344 cm(2)V-1s-1 and an excellent p-type zT value of approximately 1.3 at 1012 K due to the intrinsic low thermal conductivity.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Huijun Liao, Zizhen Zhou, Sikang Zheng, Yuling Huang, Guang Han, Guoyu Wang, Zhengyong Huang, Xu Lu, Jian Li, Xiaoyuan Zhou
Summary: A potential high-temperature n-type thermoelectric material, SmS, with a narrow band gap of approximately 0.25 eV and a simple NaCl structure, is reported. The material exhibits no bipolar effect due to the strong electron-hole asymmetry in the electronic structure and a high electron-to-hole conductivity ratio. By further alloying with Se, a peak zT value of approximately 1.1 is achieved at 1123 K, making it one of the best n-type high-temperature thermoelectrics.
ADVANCED ENERGY MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Sen Wang, Linzhi Wang, Jiquan Liu, Runqi Yang, Jing Li, Guoyu Wang
Summary: This study investigated the effects of laser energy density (LED) on the characteristics of single molten tracks (SMT) in the selective laser melting (SLM) process. The results showed that an optimized range of LED between 200 and 500 J/mm(3) achieved the best SLM process for 316L stainless steel, resulting in beautiful SMT appearance and high densification. The relationship between SMT characteristics and LED found in this study can be used to optimize SMT and control microstructures in situ, simplifying guesswork in additive manufacturing.
FRONTIERS IN MATERIALS
(2023)
Article
Chemistry, Physical
Wen Wang, Zizhen Zhou, Sikang Zheng, Qihong Xiong, Xuan Hu, Bin Zhang, Guiwen Wang, Guoyu Wang, Xu Lu, Xiaoyuan Zhou
Summary: By employing the entropy engineering strategy through S alloying on the Se site, the phase transition temperature of Cu8GeSe6 is lowered, maintaining a stable cubic phase throughout the operating temperature region. The cubic Cu8GeSe6 exhibits improved carrier mobility and electrical performance due to its favorable electronic structure. Additionally, it possesses an ultralow thermal conductivity, making it a promising candidate for thermoelectric applications.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Hengyang Wang, Guang Han, Bin Zhang, Yao Chen, Xiaofang Liu, Kaiqi Zhang, Xu Lu, Guoyu Wang, Xiaoyuan Zhou
Summary: In this study, Ag2Se/AgSbSe2 composite architectures were constructed with uniform distribution of AgSbSe2 inclusions, which effectively enhanced the thermoelectric and mechanical performance of Ag2Se. The composite material exhibited low lattice thermal conductivity, excellent average zT, and significantly improved compressive strength. This research provides new insights into simultaneously boosting the thermoelectric and mechanical performance of Ag2Se by introducing secondary-phase particles.
Article
Materials Science, Multidisciplinary
Peng Chen, Bin Zhang, Zizhen Zhou, Sikang Zheng, De Zhang, Yanci Yan, Guang Han, Xu Lu, Hong Wu, Xiaoyuan Zhou, Guoyu Wang
Summary: In this study, Se alloying was used to improve the thermoelectric performance of GeSb2Te4 crystals. The Seebeck coefficient was increased and the lattice thermal conductivity was reduced by introducing Se impurities. A high figure of merit and significant improvement in zT were achieved.
Article
Engineering, Environmental
Peng Chen, Bin Zhang, Hanjun Zou, Xiangnan Gong, Yanci Yan, Jingwei Li, Daliang Zhang, Guang Han, Xu Lu, Hong Wu, Yun Zhou, Xiaoyuan Zhou, Guoyu Wang
Summary: In this study, it was shown that the introduction of resonant level through In-doping can enhance the thermoelectric performance of GeBi2Te4. The Ge0.97In0.03Bi2Te4 crystal sample exhibited significantly improved electrical conductivity, Seebeck coefficient, and thermoelectric figure of merit compared to the pristine single crystal sample.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Hong Wu, Peng Chen, Zizhen Zhou, De Zhang, Xiangnan Gong, Bin Zhang, Yang Zhou, Kunling Peng, Yanci Yan, Guiwen Wang, Jun Liu, Dengfeng Li, Guang Han, Guoyu Wang, Xu Lu, Xiaoyuan Zhou
Summary: In this work, the thermoelectric properties of polycrystalline InxSn1-xSb2(Te1-ySey)4 samples were comprehensively investigated. The introduction of indium and selenium significantly improved the Seebeck coefficient and power factor due to the combined effects of emergent resonant states and converged valence bands. Moreover, the disordered cations occupancy in SnSb2Te4 enhanced lattice anharmonicity and reduced phonon group velocity, resulting in intrinsically low lattice thermal conductivity. A record zT value of approximately 0.6 at 670 K and an average zT of approximately 0.4 between 320 and 720 K were achieved in the In0.1Sn0.9Sb2Te3.4Se0.6 sample, making it one of the highest zT values among SnSb2Te4-based materials.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Yuling Huang, Xingchen Shen, Guiwen Wang, Bin Zhang, Sikang Zheng, Chun-Chuen Yang, Xuan Hu, Shaokuan Gong, Guang Han, Guoyu Wang, Xu Lu, Xiaoyuan Zhou
Summary: Developing a non-toxic and tellurium-free substitute for PbTe is crucial for large-scale waste heat recovery. In this study, a simple Cu3SbSe4-CuAlS2 composite is demonstrated to achieve a peak zT of 1.8 and an average zT of 0.77 in the temperature range of 300-723 K, which are both record-breaking values in diamond-like semiconductors. The enhanced electrical performance is mainly attributed to the reduced carrier scattering deformation potential. Furthermore, the Cu3SbSe4-CuAlS2 composites exhibit weak temperature dependence, making them superior for device fabrication compared to most IV-VI thermoelectric compounds. The thermal stability and mechanical performance of Cu3SbSe4 are also improved by the addition of CuAlS2. These findings indicate that the Cu3SbSe4-based composite, composed of environmentally friendly and abundant elements, can be comparable to p-type PbTe in mid-temperature thermoelectric power generation.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Jie Zhang, Xiaoyang Chen, MingJian Ding, Jiaqiang Chen, Ping Yu
Summary: This study enhances the compositional inhomogeneity of relaxor ferroelectric thin films to improve their dielectric temperature stability. The prepared films exhibit a relatively high dielectric constant and a very low variation ratio of dielectric constant over a wide temperature range.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xiaoyu Chen, Ranran Zhang, Hao Zou, Ling Li, Qiancheng Zhu, Wenming Zhang
Summary: Polyaniline-manganese dioxide composites exhibit high conductivity, long discharge platform, and stable circulation, and the specific capacity is increased by providing additional H+ ions to participate in the reaction.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xutao Huang, Yinping Chen, Jianjun Wang, Gang Lu, Wenxin Wang, Zan Yao, Sixin Zhao, Yujie Liu, Qian Li
Summary: This study aims to establish a novel approach to better understand and predict the behavior of materials with multi-scale lamellar microstructures. High-resolution reconstruction and collaborative characterization methods are used to accurately represent the microstructure. The mechanical properties of pearlite are investigated using crystal plasticity simulation and in-situ scanning electron microscopy tensile testing. The results validate the reliability of the novel strategy.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Cheng Chen, Fanchao Meng, Jun Song
Summary: This study systematically investigated the unfaulting mechanism of single-layer interstitial dislocation loops in irradiated L12-Ni3Al. The unfaulting routes of the loops were uncovered and the symmetry breaking during the unfaulting processes was further elucidated. A continuum model was formulated to analyze the energetics of the loops and predict the unfaulting threshold.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Darshan Bamney, Laurent Capolungo
Summary: This work investigates the formation of adjoining twin pairs (ATPs) at grain boundaries (GBs) in hexagonal close-packed (hcp) metals, focusing on the co-nucleation (CN) of pairs of deformation twins. A continuum defect mechanics model is proposed to study the energetic feasibility of CN of ATPs resulting from GB dislocation dissociation. The model reveals that CN is preferred over the nucleation of a single twin variant for low misorientation angle GBs. Further analysis considering GB character and twin system alignment suggests that CN events could be responsible for ATP formation even at low m' values.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Bing Han, Zhengqian Fu, Guoxiang Zhao, Xuefeng Chen, Genshui Wang, Fangfang Xu
Summary: This study investigates the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition and reveals the evolution of atomic displacement ordering as the cause for the transition behavior changing from sharp to diffuse. The novel semi-ordered configuration results from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which leads to a diffuse AFE-FE transition while maintaining the switching field.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Akib Jabed, Golden Kumar
Summary: This study demonstrates that cryogenic rejuvenation promotes homogeneous-like flow and increases ductility in metallic glass samples. Conversely, annealing has the opposite effect, resulting in a smoother fracture surface.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xin Ji, Yan Chong, Satoshi Emura, Koichi Tsuchiya
Summary: A heterogeneous microstructure in Ti-15Mo-3Al alloy with heterogeneous distributions of Mo element and omega(iso) precipitates has achieved a four-fold increase in tensile ductility without a loss of tensile strength, by blocking the propagation of dislocation channels and preventing the formation of micro-cracks.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Amit Samanta, Prasanna Balaprakash, Sylvie Aubry, Brian K. Lin
Summary: This study proposes a combined large-scale first principles approach with machine learning and materials informatics to quickly explore the chemistry-composition space of advanced high strength steels (AHSS). The distribution of aluminum and manganese atoms in iron is systematically explored using first principles calculations to investigate low stacking fault energy configurations. The use of an automated machine learning tool, DeepHyper, speeds up the computational process. The study provides insights into the distribution of aluminum and manganese atoms in systems containing stacking faults and their effects on the equilibrium distribution.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Guowei Zhou, Yuanzhe Hu, Zizheng Cao, Myoung Gyu Lee, Dayong Li
Summary: In this work, a physics-constrained neural network is used to predict grain-level responses in FCC material by incorporating crystal plasticity theory. The key feature, shear strain rate of slip system, is identified based on crystal plasticity and incorporated into the loss function as physical constitutive equations. The introduction of physics constraints accelerates the convergence of the neural network model and improves prediction accuracy, especially for small-scale datasets. Transfer learning is performed to capture complex in-plane deformation of crystals with any initial orientations, including cyclic loading and arbitrary non-monotonic loading.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Pengfei Yang, Qichang Li, Zhongying Wang, Yuxiao Gao, Wei Jin, Weiping Xiao, Lei Wang, Fusheng Liu, Zexing Wu
Summary: In this study, the HER performance of Ru-based catalysts is significantly improved through the dual-doping strategy. The obtained catalyst exhibits excellent performance in alkaline freshwater and alkaline seawater, and can be stably operated in a self-assembled overall water splitting electrolyzer.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ilias Bikmukhametov, Garritt J. Tucker, Gregory B. Thompson
Summary: Depositing a Ni-1at. % P film can facilitate the formation of multiple quintuple twin junctions, resulting in a five-fold twin structure and a pentagonal pyramid surface topology. The ability to control material structures offers opportunities for creating novel surface topologies, which can be used as arrays of field emitters or textured surfaces.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Zening Yang, Weiwei Sun, Zhengyu Sun, Mutian Zhang, Jin Yu, Yubin Wen
Summary: Multicomponent oxides (MCOs) have wide applications and accurately predicting their thermal expansion remains challenging. This study introduces an innovative attention-based deep learning model, which achieves improved performance by using two self-attention modules and demonstrates adaptability and interpretability.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ze Liu, Cai Chen, Yuanxun Zhou, Lanting Zhang, Hong Wang
Summary: This study attempts to address the gap in cooling rates between thin film deposition and bulk metallic glass (BMG) casting by correlating the glass-forming range (GFR) determined from combinatorial materials chips (CMCs) with the glass-forming ability (GFA) of BMG. The results show that the full-width at half maximum (FWHM) of the first sharp diffraction peak (FSDP) is a good indicator of BMG GFA, and strong positive correlations between FWHM and the critical casting diameter (Dmax) are observed in various BMG systems. Furthermore, the Pearson correlation coefficients suggest possible similarities in the GFA natures of certain BMG pairs.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Mike Schneider, Jean-Philippe Couzinie, Amin Shalabi, Farhad Ibrahimkhel, Alberto Ferrari, Fritz Koermann, Guillaume Laplanche
Summary: This work aims to predict the microstructure of recrystallized medium and high-entropy alloys, particularly the density and thickness of annealing twins. Through experiments and simulations, a database is provided for twin boundary engineering in alloy development. The results also support existing theories and empirical relationships.
SCRIPTA MATERIALIA
(2024)
