Article
Physics, Applied
Qing Ge, Dongdong Gu, Donghua Dai, Chenglong Ma, Yixuan Sun, Xinyu Shi, Yanze Li, Hongmei Zhang, Hongyu Chen
Summary: This study investigated the influence of ceramic addition on the laser energy absorption and powder melting behaviors during SLM of TiC/Ti6Al4V composites using mesoscopic simulation. The results showed that the addition of TiC particles increased the packing density of composite powder and decreased hall velocity, leading to enhanced laser-powder interactions and improved overall laser absorptivity. Excessive addition of ceramics resulted in deteriorated surface morphology of the melted track due to the high required energy for complete melted TiC and elevated difficulty of completely wetting unmelted particles.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Shun Guo, Yinan Li, Jieren Gu, Jie Liu, Yong Peng, Pengkun Wang, Qi Zhou, Kehong Wang
Summary: x wt.% B4C/Ti6Al4V titanium matrix composites were prepared by selective laser melting (SLM) technology. The microstructure and mechanical properties of the SLM-formed and heat-treated samples were studied in detail. The results showed that an in-situ reaction occurred during the SLM process, resulting in the formation of TiB, TiC, and TiC. The mechanical properties and microstructure of the composites were influenced by the solution temperature, with higher temperatures leading to increased grain size and agglomeration of the in-situ reaction products.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Engineering, Manufacturing
Guowen Qiao, Bi Zhang, Sai Guo, Qian Bai, Quanwei Sun, Yingwei Zhang
Summary: This study investigates the surface morphology in high-speed grinding of TiC-reinforced titanium matrix composites (TMCs) fabricated by selective laser melting (SLM). Two surface features, smearing at low grinding speeds and scratch at high grinding speeds, are found in the ground surface of TMCs. The correlations between fractal dimension (FD) and surface roughness (Ra) indicate the ground surface formation mechanisms of TMCs. The results show that submicron TiC generated in SLM cooperating with high grinding speed achieves a good surface quality in terms of reduced surface roughness and subsurface damages for TMCs, which could be beneficial to the fabrication of other metal matrix composites.
JOURNAL OF MANUFACTURING PROCESSES
(2023)
Article
Chemistry, Physical
Q. Yan, B. Chen, J. S. Li
Summary: In this study, graphene nanosheet (GNS)-reinforced Ti-6Al-4V matrix composite was successfully fabricated using selective laser melting (SLM) process, which exhibited super-high tensile strength and high Young's modulus. The locally reacted GNSs and in-situ formed ultrafine TiC particles were found to be the main contributors to the outstanding mechanical properties of the composite.
Article
Chemistry, Physical
Tao Bao, Yuanqiang Tan, Yangli Xu
Summary: A mesoscopic melt-pool dynamics model is developed to simulate the single-track selective laser melting process of core-shell composite powder materials. The melting characteristics of nickel-coated tungsten carbide composite powder are investigated, showing that smaller particle size leads to the formation of a larger melt pool. The impact of process parameters on the size of the melt pool and the distribution of reinforced particles is studied.
Article
Engineering, Multidisciplinary
Zhiguang Zhou, Yunzhong Liu, Xiaohui Liu, Qiangkun Zhan, Kaidong Wang
Summary: In situ TiB reinforced titanium matrix composites were fabricated via selective laser melting, with optimized processing to achieve crack-free and fully dense composites. The distribution of TiB reinforcement in the composites was mainly in the form of whisker clusters, showing different distributions in TMC1 and TMC2. The improvement in mechanical properties of the composites was attributed to Hall-Petch strengthening and load-bearing transformation strengthening.
COMPOSITES PART B-ENGINEERING
(2021)
Article
Engineering, Mechanical
Qinghong Jiang, Shuai Li, Sai Guo, Mingwang Fu, Bi Zhang
Summary: This study applied the selective laser melting technique to manufacture TiC/Ti6Al4V and Ti6Al4V materials and systematically characterized and analyzed their process-structure-property relationships. The addition of TiC effectively refined the matrix grain and changed the microstructures. Strong and ductile Ti6Al4V specimens and ultra-strong TMCs specimens were manufactured based on the interrelationships between energy density and resulting microstructures. The strengthening effects were mainly attributed to the Hall-Petch strengthening and load-bearing transformation.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Review
Materials Science, Multidisciplinary
Weijun Liu, Wanqiu Li, Huiru Wang, Hongyou Bian, Kai Zhang
Summary: This study focuses on the surface modification methods of selective laser melting (SLM) implants to remove unmelted powder particles and improve the biological and mechanical properties of the implants. Chemical and electrochemical methods are commonly used for surface modification, which can enhance the implant performance while minimizing health risks.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Optics
Jianbo Jin, Shengfeng Zhou, Yu Zhao, Qiang Zhang, Xiaojian Wang, Wei Li, Dongchu Chen, Lai-Chang Zhang
Summary: The study investigated the effect of TiB2 content on the microstructure and wear resistance of titanium matrix composites fabricated by selective laser melting. It was found that increasing TiB2 content refined the microstructure and improved the wear resistance by inducing strengthening and hardening effects. Additionally, the in-situ reaction of TiB2 with Ti matrix during SLM resulted in the formation of TiB and refinement of Ti matrix, leading to enhanced properties of the composites.
OPTICS AND LASER TECHNOLOGY
(2021)
Article
Engineering, Multidisciplinary
Renzhi Hu, Manlelan Luo, Anguo Huang, Jiamin Wu, Qingsong Wei, Shifeng Wen, Lichao Zhang, Yusheng Shi, Dmitry Trushnikov, V. Ya. Belenkiy, I. Yu. Letyagin, K. P. Karunakaran, Shengyong Pang
Summary: Recent studies have shown that selective laser melting (SLM) under vacuum or low ambient pressure results in fewer defects and better surface quality of the printed products. Simulations revealed more vigorous fluid flow and longer trajectory of ripple flow under 100 Pa ambient pressure, leading to improved surface quality of the printed tracks.
Article
Engineering, Chemical
Kaijie Lin, Yamei Fang, Dongdong Gu, Qing Ge, Jie Zhuang, Lixia Xi
Summary: Graphene is used as reinforcement in titanium matrix composites (TMCs) to enhance performance, with selective laser melting (SLM) showing great potential in fabrication. The study investigated the effects of ball milling time on properties of composite powder and formability of SLM. Results showed that 5-hour ball-milled composite powder had good sphericity and flowability. The optimized SLM-processed graphene reinforced TMCs exhibited higher microhardness and tensile strength compared to SLM-processed TC4.
ADVANCED POWDER TECHNOLOGY
(2021)
Article
Nanoscience & Nanotechnology
Zhiguang Zhou, Yunzhong Liu
Summary: In this study, in-situ TiB, TiC, and (TiB + TiC) reinforced titanium matrix composites were prepared using selective laser melting. The evolution mechanisms of in-situ TiB whisker and TiC particle were investigated. Micro-structural characterization and phase diagram analysis revealed that TiC particles were formed through dissolution-precipitation mechanism, while TiB whiskers were mainly reaction products. In the hybrid reinforced composite, the reaction product TiB whisker clusters acted as nucleation sites for TiC particles, altering their distribution. Compressive testing showed that TiB whiskers had a stronger strengthening effect than TiC particles, attributed to their different spatial distributions.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Biochemistry & Molecular Biology
Bingxian Ou, Lixin Lu, Qinsheng Wang, Qing He, YiLin Xie, Junxia Yan
Summary: Titanium matrix composites reinforced by graphene exhibit excellent mechanical properties, and the addition of graphene nanosheets can improve the microstructure and mechanical properties of the composites.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Shenghua Zhang, Jingshuai Shi, Bin Liu, Zhonghua Li
Summary: A honeycomb column thin-walled structure (HCTS) was designed and fabricated via selective laser melting (SLM). Numerical simulation and experimental results showed that the HCTS had higher resistance to deformation and loading force compared to equivalent solid thin-walled structures (ESTS). The numerical simulation can provide theoretical guidance for the manufacturing process of HCTS.
Article
Materials Science, Multidisciplinary
Liu Cao
Summary: This study investigates the influence of different scanning strategies on the SLM process, revealing significant differences in grain orientation and surface quality between layers formed under different scanning strategies, providing valuable insights for the selection of scanning strategies in practical production processes.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Thermodynamics
Yongfeng Li, Shuhui Li, Ji He, Yuan Chen, Lan Yue
APPLIED THERMAL ENGINEERING
(2019)
Article
Automation & Control Systems
Kaijie Lin, Dongdong Gu, Lixia Xi, Luhao Yuan, Songqiao Niu, Pei Lv, Qing Ge
INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY
(2019)
Article
Engineering, Mechanical
Yixuan Sun, Dongdong Gu, Donghua Dai, Meng Guo, Qing Ge, Xinyu Shi, Yanze Li, Guomin Le, Mingxuan Yao
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2020)
Article
Engineering, Industrial
Ronggao Cui, Shuhui Li
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2020)
Article
Automation & Control Systems
Luhao Yuan, Dongdong Gu, Kaijie Lin, Qing Ge, Xinyu Shi, Haoran Wang, Kaiming Hu
INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY
(2020)
Article
Materials Science, Multidisciplinary
Hongmei Zhang, Dongdong Gu, Chenglong Ma, Meng Guo, Rui Wang, Jiankai Yang, Qing Ge
Article
Physics, Applied
Qing Ge, Dongdong Gu, Donghua Dai, Chenglong Ma, Yixuan Sun, Xinyu Shi, Yanze Li, Hongmei Zhang, Hongyu Chen
Summary: This study investigated the influence of ceramic addition on the laser energy absorption and powder melting behaviors during SLM of TiC/Ti6Al4V composites using mesoscopic simulation. The results showed that the addition of TiC particles increased the packing density of composite powder and decreased hall velocity, leading to enhanced laser-powder interactions and improved overall laser absorptivity. Excessive addition of ceramics resulted in deteriorated surface morphology of the melted track due to the high required energy for complete melted TiC and elevated difficulty of completely wetting unmelted particles.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Mechanics
Yongfeng Li, Shuhui Li, Yuan Chen
Summary: This paper introduces an extended LSSCI method to accurately identify the viscoplastic behavior of boron steel under large strain conditions, and validates its accuracy and reliability through numerical and experimental cases. Additionally, a unified viscoplastic (UVP) model based on dislocation density evolution is proposed for describing the viscoplastic behavior of Boron steel at large strain.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2021)
Article
Nanoscience & Nanotechnology
Yongfeng Li, Yuan Chen, Shuhui Li
Summary: The study investigated the effects of hot deformation amount, deformation temperature, and strain rate on phase transformation in boron steels, proposing a new non-isothermal kinetic model to describe the process. Results showed that deformation accelerates diffusive phase transformation, but its effect rapidly saturates with increasing plastic strain. Lower deformation temperature and higher strain rate are more favorable to diffusion phase transformation.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Engineering, Manufacturing
Yongfeng Li, Yunguang Zhang, Shuhui Li
Summary: In this study, a testing and parameter identification method for the viscoplastic constitutive behavior of boron steel based on the Gleeble system was proposed, along with an FEM-based optimization method to identify the hardening behavior under large deformation. Shear specimens were used for testing hardening behavior with more uniform temperature and strain rate distribution, and showed high accuracy in identifying the constitutive behavior of product phase. The proposed methods and models were verified through thermomechanical tension tests and hot semi-cutting processes, showing accurate results.
JOURNAL OF MANUFACTURING PROCESSES
(2021)
Article
Engineering, Mechanical
Yongfeng Li, Shuhui Li
Summary: Hot stamping of boron steel is effective for weight reduction in automobile parts, but the loss of mechanical properties due to incomplete martensitic transformation is a challenge. In this study, a deep-learning based phase transformation model is developed to capture the history-dependent phase transformation behavior of boron steel under hot stamping conditions. The model integrates diffusive and diffusionless transformation and provides a novel approach for two-scale simulation of hot stamping process.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2022)
Article
Engineering, Multidisciplinary
Donghua Dai, Dongdong Gu, Qing Ge, Chenglong Ma, Xinyu Shi, Han Zhang
CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES
(2020)
Correction
Materials Science, Multidisciplinary
A. D. Boccardo, M. Tong, S. B. Leen, D. Tourret, J. Segurado
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tao Li, Qing Hou, Jie-chao Cui, Jia-hui Yang, Ben Xu, Min Li, Jun Wang, Bao-qin Fu
Summary: This study investigates the thermal and defect properties of AlN using molecular dynamics simulation, and proposes a new method for selecting interatomic potentials, developing a new model. The developed model demonstrates high computational accuracy, providing an important tool for modeling thermal transport and defect evolution in AlN-based devices.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Chao-Chuan Huang, Hsing-Yin Chen
Summary: Amorphous boron nitride (a-BN) is a promising ultralow-dielectric-constant material for interconnect isolation in integrated circuits. This study establishes a deep learning potential (DLP) for different forms of boron nitride and uses molecular dynamics simulations to investigate the mechanical behaviors of a-BN. The results reveal the structure-property relationships of a-BN, providing useful insights for integrating it in device applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. Salman, S. Schmauder
Summary: Shape memory polymer foams (SMPFs) are lightweight cellular materials that can recover their undeformed shape through external stimulation. Reinforcing the material with nano-clay filler improves its physical properties. Multiscale modeling techniques can be used to study the thermomechanical response of SMPFs and show good agreement with experimental results.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Laura Gueci, Francesco Ferrante, Marco Bertini, Chiara Nania, Dario Duca
Summary: This study investigates the acidity of 30 Bronsted sites in the beta-zeolite framework and compares three computational methods. The results show a wide range of deprotonation energy values, and the proposed best method provides accurate calculations.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
K. A. Lopes Lima, L. A. Ribeiro Junior
Summary: Advancements in nanomaterial synthesis and characterization have led to the discovery of new carbon allotropes, including biphenylene network (BPN). The study finds that BPN lattices with a single-atom vacancy exhibit higher CO2 adsorption energies than pristine BPN. Unlike other 2D carbon allotropes, BPN does not exhibit precise CO2 sensing and selectivity by altering its band structure configuration.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Jay Kumar Sharma, Arpita Dhamija, Anand Pal, Jagdish Kumar
Summary: In this study, the quaternary Heusler alloys LiAEFeSb were investigated for their crystal structure, electronic properties, and magnetic behavior. Density functional theory calculations revealed that LiSrFeSb and LiBaFeSb exhibit half-metallic band structure and 100% spin polarization, making them excellent choices for spintronic applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Roman A. Eremin, Innokentiy S. Humonen, Alexey A. Kazakov, Vladimir D. Lazarev, Anatoly P. Pushkarev, Semen A. Budennyy
Summary: Computational modeling of disordered crystal structures is essential for studying composition-structure-property relations. In this work, the effects of Cd and Zn substitutions on the structural stability of CsPbI3 were investigated using DFT calculations and GNN models. The study achieved accurate energy predictions for structures with high substitution contents, and the impact of data subsampling on prediction quality was comprehensively studied. Transfer learning routines were also tested, providing new perspectives for data-driven research of disordered materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Zhixin Sun, Hang Dong, Yaohui Yin, Ai Wang, Zhen Fan, Guangyong Jin, Chao Xin
Summary: In this study, the crystal structure, electronic structure, and optical properties of KH2PO4: KDP crystals under different pressures were investigated using the generalized gradient approximate. It was found that high pressure caused a phase transition in KDP and greatly increased the band gap. The results suggest that high pressure enhances the compactness of KDP and improves the laser damage threshold.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tingting Yu
Summary: This study presents atomistic simulations revealing that an increase in driving force may result in slower grain boundary movement and switches in the mode of grain boundary shear coupling migration. Shear coupling behavior is found to effectively alleviate stress and holds potential for stress relaxation and microstructure manipulation in materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Zhang, X. Q. Deng, Q. Jing, Z. S. Zhang
Summary: The electronic properties of C2N/antimonene van der Waals heterostructure are investigated using density functional theory. The results show that by applying horizontal strain, vertical strain, electric field, and interlayer twist, the electronic structure can be adjusted. Additionally, the band alignment and energy states of the heterostructure can be significantly changed by applying vertical strain on the twisted structure. These findings are important for controlling the electronic properties of heterostructures.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Chad E. Junkermeier, Evan Larmand, Jean-Charles Morais, Jedediah Kobebel, Kat Lavarez, R. Martin Adra, Jirui Yang, Valeria Aparicio Diaz, Ricardo Paupitz, George Psofogiannakis
Summary: This study investigates the adsorption properties of carbon dioxide (CO2), methane (CH4), and dihydrogen (H2) in carbophenes functionalized with different groups. The results show that carbophenes can be promising adsorbents for these gases, with high adsorption energies and low desorption temperatures. The design and combination of functional groups can further enhance their adsorption performance.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Borges, L. Huber, H. Zapolsky, R. Patte, G. Demange
Summary: Grain boundary structure is closely related to solute atom segregation, and machine learning can predict the segregation energy density. The study provides a fresh perspective on the relationship between grain boundary structure and segregation properties.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. R. Jones, L. T. W. Fey, I. J. Beyerlein
Summary: In this work, a three-dimensional ab-initio informed phase-field-dislocation dynamics model combined with Langevin dynamics is used to investigate glide mechanisms of edge and screw dislocations in Nb at finite temperatures. It is found that the screw dislocation changes its mode of glide at two distinct temperatures, which coincides with the thermal insensitivity and athermal behavior of Nb yield strengths.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Joshua A. Vita, Dallas R. Trinkle
Summary: This study introduces a new machine learning model framework that combines the simplicity of spline-based potentials with the flexibility of neural network architectures. The simplified version of the neural network potential can efficiently describe complex datasets and explore the boundary between classical and machine learning models. Using spline filters for encoding atomic environments results in interpretable embedding layers that can incorporate expected physical behaviors and improve interpretability through neural network modifications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)