Shock-induced plasticity and damage in single-crystalline Cu at elevated temperatures by molecular dynamics simulations

Xia, Tian; Cui, Junzhi; Ma, Kaipeng; Xiang, Meizhen

doi:10.1016/j.ijheatmasstransfer.2020.120013

Cited by 40 publications

(4 citation statements)

References 45 publications

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“…The properties of materials are based on dislocation mechanics, fracture prediction, damage accumulation, void mechanics, dislocation density, and material localization. MD is a simulation method that is applied at the atomistic level to simulate stacking fault tetrahedra of face centered cubic (FCC) metals and alloys [74], Crystal-melt coexistence in FCC and body centered cubic (BCC) metals [75], and plastic damage [76,77].…”

Section: Finite Element Methodsmentioning

confidence: 99%

Multiphysics Modeling and Numerical Simulation in Computer-Aided Manufacturing Processes

Trzepieciński

Dell’Isola

Lemu

2021

Metals

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The concept of Industry 4.0 is defined as a common term for technology and the concept of new digital tools to optimize the manufacturing process. Within this framework of modular smart factories, cyber-physical systems monitor physical processes creating a virtual copy of the physical world and making decentralized decisions. This article presents a review of the literature on virtual methods of computer-aided manufacturing processes. Numerical modeling is used to predict stress and temperature distribution, springback, material flow, and prediction of phase transformations, as well as for determining forming forces and the locations of potential wrinkling and cracking. The scope of the review has been limited to the last ten years, with an emphasis on the current state of knowledge. Intelligent production driven by the concept of Industry 4.0 and the demand for high-quality equipment in the aerospace and automotive industries forces the development of manufacturing techniques to progress towards intelligent manufacturing and ecological production. Multi-scale approaches that tend to move from macro- to micro- parameters become very important in numerical optimization programs. The software requirements for optimizing a fully coupled thermo-mechanical microstructure then increase rapidly. The highly advanced simulation programs based on our knowledge of physical and mechanical phenomena occurring in non-homogeneous materials allow a significant acceleration of the introduction of new products and the optimization of existing processes.

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Section: Finite Element Methodsmentioning

confidence: 99%

Multiphysics Modeling and Numerical Simulation in Computer-Aided Manufacturing Processes

Trzepieciński

Dell’Isola

Lemu

2021

Metals

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“…For determining the interaction potential between the Cu atoms, the embedded-atom method-derived potential [77] was selected. This potential has been successfully applied at various high temperatures and pressures to demonstrate its accuracy in terms of temperature-dependent mechanical properties [78][79][80]. In addition, the potential can accurately characterize dislocation nucleation, multiplication, and stacking fault formation in Cu under multiple conditions including uniaxial and shear loading [81].…”

Section: Interatomic Potentialsmentioning

confidence: 99%

Molecular Dynamics Simulation on Solidification Microstructure and Tensile Properties of Cu/SiC Composites

Yan,

Lu,

Gao

et al. 2024

Molecules

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The shape of ceramic particles is one of the factors affecting the properties of metal matrix composites. Exploring the mechanism of ceramic particles affecting the cooling mechanical behavior and microstructure of composites provides a simulation basis for the design of high-performance composites. In this study, molecular dynamics methods are used for investigating the microstructure evolution mechanism in Cu/SiC composites containing SiC particles of different shapes during the rapid solidification process and evaluating the mechanical properties after cooling. The results show that the spherical SiC composites demonstrate the highest degree of local ordering after cooling. The more ordered the formation is of face-centered-cubic and hexagonal-close-packed structures, the better the crystallization is of the final composite and the less the number of stacking faults. Finally, the results of uniaxial tensile in three different directions after solidification showed that the composite containing spherical SiC particles demonstrated the best mechanical properties. The findings of this study provide a reference for understanding the preparation of Cu/SiC composites with different shapes of SiC particles as well as their microstructure and mechanical properties and provide a new idea for the experimental and theoretical research of Cu/SiC metal matrix composites.

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“…The Al atoms are color-coded by CSP analysis, which helps to determine local defects such as stacking faults (green regions) and void surfaces (red regions). Generally, for the case of ideal single crystal, the dislocation and stacking fault structure generated by the shock compression process will be greatly reduced during the unloading and tensile process, and few residual defects are retained [33,60]. However, for single crystal Al containing Cu inclusions, as shown in Figure 8, the stacking faults on the slip plane near the inclusions are more difficult to recover than dislocation and stacking faults in the matrix.…”

Section: Characteristics Of Spall Damage At Low Piston Velocitiesmentioning

confidence: 99%

“…On the other hand, the influence of initial defects on the spallation process is not only the tensile fracture process but also the impact compression process of materials [29,30]. For the need of theoretical research, molecular dynamics (MD) simulation is widely used in the study of metal spallation [31][32][33][34]. Based on MD simulation, the in-situ observation from compression process to tensile process can be carried out, and we can directly obtain the local physical quantities such as stress, density, and temperature.…”

Section: Introductionmentioning

confidence: 99%

Spallation Characteristics of Single Crystal Aluminum with Copper Nanoparticles Based on Atomistic Simulations

et al. 2021

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In this study, the effects of Cu nanoparticle inclusion on the dynamic responses of single crystal Al during shockwave loading and subsequent spallation processes have been explored by molecular dynamics simulations. At specific impact velocities, the ideal single crystal Al will not produce dislocation and stacking fault structure during shock compression, while Cu inclusion in an Al–Cu nanocomposite will lead to the formation of a regular stacking fault structure. The significant difference of a shock-induced microstructure makes the spall strength of the Al–Cu nanocomposite lower than that of ideal single crystal Al at these specific impact velocities. The analysis of the damage evolution process shows that when piston velocity up ≤ 2.0 km/s, due to the dense defects and high potential energy at the interface between inclusions and matrix, voids will nucleate preferentially at the inclusion interface, and then grow along the interface at a rate of five times faster than other voids in the Al matrix. When up ≥ 2.5 km/s, the Al matrix will shock melt or unloading melt, and micro-spallation occurs; Cu inclusions have no effect on spallation strength, but when Cu inclusions and the Al matrix are not fully diffused, the voids tend to grow and coalescence along the inclusion interface to form a large void.

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Shock-induced plasticity and damage in single-crystalline Cu at elevated temperatures by molecular dynamics simulations

Cited by 40 publications

References 45 publications

Multiphysics Modeling and Numerical Simulation in Computer-Aided Manufacturing Processes

Multiphysics Modeling and Numerical Simulation in Computer-Aided Manufacturing Processes

Molecular Dynamics Simulation on Solidification Microstructure and Tensile Properties of Cu/SiC Composites

Spallation Characteristics of Single Crystal Aluminum with Copper Nanoparticles Based on Atomistic Simulations

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