Article
Engineering, Manufacturing
Guo Yilin, Jerry Fuh Ying Hsi, Lu Wen Feng
Summary: Additive manufacturing allows for complex geometries in parts, expanding the design space to microarchitecture scale. Optimizing structures within this expanded design space can improve performance. A surrogate model based on 3D convolutional neural networks provides flexibility in predicting material properties of microscale structures.
VIRTUAL AND PHYSICAL PROTOTYPING
(2021)
Article
Geosciences, Multidisciplinary
Daniel J. Ruth, Baptiste Neel, Martin A. Erinin, Megan Mazzatenta, Robert Jaquette, Fabrice Veron, Luc Deike
Summary: In this study, we experimentally investigate the depth distributions and dynamics of air bubbles entrained by breaking waves using high-resolution imaging and three-dimensional bubble tracking. We find that the bubble concentration decays exponentially with depth below the wave troughs. Additionally, we discover that the flow field induced by the breaking waves enhances the transport of bubbles, which is relevant for the transport of bubbles, oil droplets, and microplastics at the ocean surface.
GEOPHYSICAL RESEARCH LETTERS
(2022)
Article
Multidisciplinary Sciences
Jin Tang, Yaodong Wu, Lingyao Kong, Weiwei Wang, Yutao Chen, Yihao Wang, Y. Soh, Yimin Xiong, Mingliang Tian, Haifeng Du
Summary: This study used differential phase contrast scanning transmission electron microscopy to investigate nanoscale magnetic objects in Kagome ferromagnet Fe3Sn2 nanostructures, revealing that these magnetic objects can be attributed to the integral magnetizations of two types of complex 3D magnetic bubbles with depth-modulated spin twisting. While magnetic configurations obtained using high-resolution TEM are generally considered as two-dimensional, the results suggest the importance of the integral magnetizations of underestimated 3D magnetic structures in 2D TEM magnetic characterizations.
NATIONAL SCIENCE REVIEW
(2021)
Article
Nanoscience & Nanotechnology
Julia Flesch, Maximilian Bettenhausen, Marcin Kazmierczak, Wolfgang M. Klesse, Oliver Skibitzki, Olympia E. Psathaki, Rainer Kurre, Giovanni Capellini, Subhajit Guha, Thomas Schroeder, Bernd Witzigmann, Changjiang You, Jacob Piehler
Summary: Label-free optical detection of biomolecules is currently limited by a lack of specificity rather than sensitivity. The engineered three-dimensional IR-resonant silicon micropillar arrays (Si-MPAs) for protein sensing utilize the characteristic refractive index dispersion in the mid-infrared (IR) regime. The spatially controlled surface functionalization enables efficient targeting of soluble and membrane proteins into sensing hotspots directly from cells cultured on Si-MPAs.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Materials Science, Multidisciplinary
Zhaolong Wang, Haoyong Song, Mingzhu Xie, Ziheng Zhan, Junkai Zhao, Yongping Chen
Summary: This study proposes a capillary-force-driven self-assembly strategy for bionic three-dimensional (3D) functional surfaces. Programmable self-assembly of micropillars is achieved by tailoring their spatial arrangement and geometric parameters, and the functions of selective capture and release of microparticles are demonstrated. The programmable capillary-force-driven self-assembly of micropillars is also extended to 3D bionic curved surfaces with various applications.
MATERIALS TODAY PHYSICS
(2023)
Review
Biochemistry & Molecular Biology
Yufeng Zhou, Jingbo Chen, Xuying Liu, Jianwei Xu
Summary: This article summarizes and discusses the application of 3D/4D printing technologies in the processing of PLA nano/microstructures, focusing on crystallization principles and practical applications such as bio-inspired structures, flexible electronics, and biomedical engineering. The challenges and prospects of fabricating high-performance PLA materials nano/microstructures using 3D/4D printing technologies are also discussed.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Materials Science, Multidisciplinary
Paul Seibert, Alexander Rassloff, Marreddy Ambati, Markus Kaestner
Summary: A general algorithm is developed in this work to reconstruct a three-dimensional microstructure from given descriptors, based on spatial visualization and structure-property linkages through two-dimensional micrographs. The formulation treats microstructure reconstruction as a gradient-based optimization problem, allowing freely chosen descriptors and handling noise sources in an innovative manner.
Article
Engineering, Chemical
Yunpeng Gao, Lianglai Song, Lijun Wang, Housheng Wang, Yihang Li
Summary: A sieve with three-dimensional translational motion was designed and investigated using CFD-DEM. The results show that this sieve has better particle dispersion compared to the traditional planar reciprocating vibrating sieve. This study provides a reference for designing a multi-dimensional motion sieve for cleaning large particles.
Article
Materials Science, Multidisciplinary
Yu-Hsuan Chiang, Bor-Yann Tseng, Jyun-Ping Wang, Yu-Wen Chen, Cheng-Che Tung, Chi-Hua Yu, Po-Yu Chen, Chuin-Shan Chen
Summary: This study developed a deep generative network with a self-attention mechanism to generate three-dimensional (3D) bioinspired microstructures. The model showed excellent consistency with desired structures and performed well in generating complex biological materials. The study demonstrates the potential of using Transformer-based deep generative models in generating novel 3D microstructures.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Geochemistry & Geophysics
Satoshi Izumoto
Summary: Induced polarization (IP) method is a geophysical method that detects conducting materials through their polarization. Previous studies investigated the polarization of metal in simplified geometries, but there is a gap when it comes to geological materials. To bridge this gap, the author used computational-fluid-dynamic software to simulate the polarization of metal grains in a 3D field. The simulations revealed different polarization patterns based on channel size, grain orientation, elongation, and distance between grains. The results provide insights into the underlying mechanisms and can be applied to improve modeling and experimental setups.
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
(2023)
Article
Mechanics
Rui-Nan Cui, Rui Han, Shao-Cong Pei, Shi-Ping Wang
Summary: In this study, a three-dimensional model is established to investigate the dynamics of underwater explosion bubbles. The model is based on a weakly compressible theory implemented in the boundary integral method. The accuracy and reliability of the model are validated by comparing its results with theoretical solutions, an axisymmetric model, and experimental data. The study systematically explores the jet characteristics of underwater explosion bubbles in the free field and reveals the power laws for the height, width, and velocity of the liquid jet with respect to the buoyancy parameter. The findings show that the strength parameter also plays a significant role in determining the height of the jet, especially when the buoyancy parameter is less than 0.3. The impact of an inclined wall on jet features is further investigated, and an analytical expression for the jet angle near a vertical wall is provided using the Kelvin impulse theory.
Article
Geochemistry & Geophysics
Junya Matsuno, Akira Tsuchiyama, Akira Miyake, Keiko Nakamura-Messenger, Scott Messenger
Summary: GEMS (Glass with Embedded Metal and Sulfides) grains found in interplanetary dust particles are considered one of the most primitive materials in the Solar System. Their formation processes have been a topic of debate, with two main hypotheses proposed: radiation processing and amorphization in the interstellar medium, or disequilibrium condensation in protosolar disks. By examining the 3D distributions of elements and inclusions within GEMS grains using TEM-tomography, this study provides evidence supporting the condensation hypothesis, as the observed properties of the grains resemble those of experimental condensation products. The study also reveals textures indicating aggregation and possible coalescence of primary grains.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Hui Li, Fengqian Chen, Xinyu Guan, Jiali Li, Cuiyan Li, Bin Tang, Valentin Valtchev, Yushan Yan, Shilun Qiu, Qianrong Fang
Summary: This study presents the design and synthesis of 3D triptycene-based COFs with specific topologies, which exhibit excellent gas adsorption performance. The materials show potential for diversifying 3D COFs based on complex building blocks and hold promise for applications in energy storage and environmental fields.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Optics
Zihao Tang, Wenjun Ni, Zehao Li, Jin Hou, Shaoping Chen, Perry Ping Shum, Chunyong Yang
Summary: This study introduces a systematic method to optimize the geometry of a PA cell for enhanced detection signal intensity. The optimized cell shows higher acoustic gain and lower detection threshold in a wide frequency range compared to conventional cells.
Article
Chemistry, Multidisciplinary
YinBo Zhu, YongChao Wang, Bao Wu, ZeZhou He, Jun Xia, HengAn Wu
Summary: The mechanical behavior of disordered graphene networks (DGNs) was studied, revealing prolonged plastic platforms in tension and shear, and special plastic damages in compression, resulting in tension-compression asymmetry. Additionally, out-of-plane topological defects and average angular defects in deformed DGNs exhibit inverse proportional scaling relationship. Ashby charts demonstrate that the mechanical properties of DGNs can surpass those of most conventional materials, reaching theoretical limits.
Article
Chemistry, Physical
Luchan Zhang, Jian Han, David J. Srolovitz, Yang Xiang
Summary: This study proposes continuum equations of motion for grain boundaries based on disconnection dynamics, accounting for mechanical constraints in polycrystals to develop a zero-shear constrained model for grain boundary motion. The model is easily implemented in a computationally efficient framework and suitable for large-scale simulation of polycrystalline microstructure evolution. Validation of the proposed model was conducted through direct comparisons with full multi-disconnection mode simulations.
NPJ COMPUTATIONAL MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Jian Han, David J. Srolovitz, Marco Salvalaglio
Summary: Understanding, predicting, and controlling microstructural evolution in crystalline materials is a longstanding goal. This study presents a new model for the motion of curved interfaces that respects the crystallography and microscopic mechanisms of interface motion, providing a comprehensive understanding of interface migration under various driving forces.
Article
Multidisciplinary Sciences
Shuai Chen, Zachary H. Aitken, Subrahmanyam Pattamatta, Zhaoxuan Wu, Zhi Gen Yu, David J. Srolovitz, Peter K. Liaw, Yong-Wei Zhang
Summary: The study reveals that short-range ordering in high-entropy alloys can lead to a pseudo-composite microstructure, with different types of clusters playing specific roles to enhance both strength and ductility. This provides a promising route for designing alloys with superior mechanical properties.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Marco Salvalaglio, David J. Srolovitz, Jian Han
Summary: The motion of interfaces plays a crucial role in the microstructure evolution of crystalline materials. This study presents a microstructure evolution simulation approach that is linked to the underlying microscopic mechanisms of interface migration. The method extends the continuum approach to a diffuse interface, phase-field model, allowing for large-scale simulations. The results highlight the influence of microscopic interface migration mechanisms on microstructure evolution, particularly the effects of stress and its coupling to interface migration.
Article
Multidisciplinary Sciences
Q. F. He, J. G. Wang, H. A. Chen, Z. Y. Ding, Z. Q. Zhou, L. H. Xiong, J. H. Luan, J. M. Pelletier, J. C. Qiao, Q. Wang, L. L. Fan, Y. Ren, Q. S. Zeng, C. T. Liu, C. W. Pao, D. J. Srolovitz, Y. Yang
Summary: The development of high-performance ultraelastic metals is crucial for various industrial applications, and chemically complex alloys with large atomic size misfits have shown promising properties, including a high elastic strain limit and a constant elastic modulus at room temperature.
Article
Multidisciplinary Sciences
Lihua Wang, Yin Zhang, Zhi Zeng, Hao Zhou, Jian He, Pan Liu, Mingwei Chen, Jian Han, David J. Srolovitz, Jiao Teng, Yizhong Guo, Guo Yang, Deli Kong, En Ma, Yongli Hu, Baocai Yin, XiaoXu Huang, Ze Zhang, Ting Zhu, Xiaodong Han
Summary: Grain boundaries (GBs) are crucial for the mechanical behavior of polycrystalline materials, yet the atomic-scale dynamic processes of GB deformation remain unclear. This study presents an in situ atomic-resolution investigation on how sliding-dominant deformation occurs at general tilt GBs in platinum bicrystals, involving direct atomic-scale sliding and sliding with atom transfer across the boundary plane.
Article
Multidisciplinary Sciences
A. S. L. Subrahmanyam Pattamatta, David J. Srolovitz
Summary: In this study, a crystal thermodynamics framework is proposed to describe phase transformations induced by tensor stress in solids. The approach is based on nonlinear elasticity and first principles calculations. It allows for the prediction of phase transformations in grains of any orientation in different materials, regardless of the effects from the stress tensor.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Mingjie Xu, Kongtao Chen, Fan Cao, Leonardo Velasco, Thomas M. Kaufman, Fan Ye, Horst Hahn, Jian Han, David J. Srolovitz, Xiaoqing Pan
Summary: This study presents the mechanism of grain boundary motion in polycrystalline materials through novel observations, simulations, and disconnection theory. The results show that the motion of grain boundaries is coupled through disconnection motion/reactions at grain boundary triple junctions. The driving force for migration affects the mode selection, with different modes observed under chemical potential jump and stress-driven conditions.
Article
Materials Science, Multidisciplinary
Larissa M. Woryk, Sicong He, Emily M. Hopkins, Chang-Yu Hung, Jian Han, David J. Srolovitz, Jaime Marian, Mitra L. Taheri
Summary: A numerical methodology is presented to compute the Nye-tensor fingerprints of dislocation loop absorption at grain boundaries (GBs) and compare them with TEM observations. This approach connects atomistic simulations with experimentally extracted GND maps to facilitate the interpretation of damage processes. The method provides a framework for future investigations of defect absorption by grain boundaries under irradiation conditions.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Rui Wang, Xiaoxiao Ma, Linfeng Zhang, Han Wang, David J. Srolovitz, Tongqi Wen, Zhaoxuan Wu
Summary: This study focuses on the development of two interatomic potentials for BCC vanadium (V) using classical semiempirical modified embedded-atom method and the ML Deep Potential framework. Both potentials can reproduce various defect properties relevant to plastic deformation and fracture.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Caihao Qiu, Marco Salvalaglio, David J. Srolovitz, Jian Han
Summary: An intrinsic feature of crystalline systems is the presence of disconnections, which strongly affect the morphology and motion of interfaces. These elastic interactions modify equilibrium interface morphologies compared to surface energy and affect interface kinetics, leading to a faceting-defaceting transition.
Article
Materials Science, Multidisciplinary
Shuai Chen, Zachary H. Aitken, Subrahmanyam Pattamatta, Zhaoxuan Wu, Zhi Gen Yu, David J. Srolovitz, Peter K. Liaw, Yong-Wei Zhang
Summary: By employing density-functional theory calculations, Monte Carlo method, and molecular dynamic simulation, this study investigates the role of short-range ordering (SRO) on dislocation kinetics in a BCC MoTaTiWZr high-entropy alloy. The results demonstrate that SRO enhances the energy barriers for both edge and screw dislocation motion, giving rise to the dominance of edge dislocations in the BCC RHEA.
Article
Engineering, Mechanical
Tongqi Wen, Anwen Liu, Rui Wang, Linfeng Zhang, Jian Han, Han Wang, David J. Srolovitz, Zhaoxuan Wu
Summary: This study determines the properties of dislocation cores, twins, and cracks in HCP and BCC Ti using Deep Potential (DP), DFT, and linear elastic fracture mechanics. It provides insights into the behavior of slip dislocations and the brittleness of cracks on basal planes, as well as the energy and structure of twin boundaries. The results offer a comprehensive understanding of Ti plasticity and fracture.
INTERNATIONAL JOURNAL OF PLASTICITY
(2023)
Article
Multidisciplinary Sciences
Shuai Chen, Ping Liu, Qingxiang Pei, Zhi Gen Yu, Zachary H. Aitken, Wanghui Li, Zhaoxuan Wu, Rajarshi Banerjee, David J. Srolovitz, Peter K. Liaw, Yong-Wei Zhang
Summary: This study constructs nanolamellar high-entropy alloys and explores their mechanical properties using molecular dynamic simulation and density functional theory calculation. The results show that the nanolamellar structure exhibits ideal plastic behavior and remarkable shape memory effect, highlighting the importance of nanolamellar structures in controlling the mechanical and functional properties of high-entropy alloys.
Article
Quantum Science & Technology
Cheng-Lin Hong, Ting Tsai, Jyh-Pin Chou, Peng-Jen Chen, Pei-Kai Tsai, Yu-Cheng Chen, En-Jui Kuo, David Srolovitz, Alice Hu, Yuan-Chung Cheng, Hsi-Sheng Goan
Summary: Although quantum chemistry calculations on quantum computers are currently limited to small molecules, we propose a method using Daubechies wavelet functions that can achieve accurate and efficient quantum computations. Our method provides a better description of the molecular Hamiltonian and enables predictions that are in agreement with experimental measurements.
