Molecular Dynamics Simulations of Plastic Damage in Metals

Lu, Shijing; Liu, Dong; Brenner, Donald W.

doi:10.1007/978-1-4614-5589-9_6

Cited by 7 publications

(5 citation statements)

References 95 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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“…The centro-symmetry parameter is defined as (1) where r i and r (i+N/2) are vectors from the central atom to a pair of opposite neighbors. [13] For perfect fcc crystals, the two vectors cancel because of symmetry and the CSP values are zero.…”

Section: Methodsmentioning

confidence: 99%

“…Molecular dynamics (MD) simulations have produced insights into plastic damage in crystals that have complemented, confirmed and in some cases revealed new structures and processes with respect to traditional materials defect theories. [1] MD simulations have also been used to probe the effects of conditions like temperature, applied stress and high strain rates on plastic deformation. [2][3][4] One of the major challenges to effectively using MD is interpreting the simulation data (e.g.…”

Section: Introductionmentioning

confidence: 99%

Statistical and image analysis for characterizing simulated atomic-scale damage in crystals

Reich

Brenner

2017

Computational Materials Science

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While molecular dynamics simulations have been used for decades to study structure and formation mechanisms of plastic damage in crystals, the analytical tools needed to characterize collections of plastic defects have been limited. Here we demonstrate the use of two methods, spatial cross-correlations (CC) and Linear Discriminate Analysis (LDA), to analyze and compare plastic damage profiles among molecular dynamics simulations in which damage was created by straining bi-crystals containing symmetric tilt grain boundaries with different tilt angles. Two potentials were used, one representing Cu and one representing Ag, and two coarse-grained descriptors for different types of crystal damage were used, averaged central symmetry parameters (CSP) and atomic hydrostatic stress (HS). We find that in general the CSP is a more accurate descriptor than HS for both analysis methods, and for data base sizes of about 30 or more simulations per tilt angle, the LDA does considerably better in predicting angle and material than the CC method. For example, at the largest data base size of 50 simulations per tilt angle and using the average CSP values, the LDA predicts the exact initial tilt angle and material type for 92% of the simulations, while the CC approach drops to 58%. If the average HS is used instead of the average CSP, the LDA and CC predictions drop to 63% and 32%, respectively. These results point to a number of possible applications of this method, for example in quantifying how the range of damage for a set of strained systems may depend on strain rate or temperature, or quantifying similarities between complex damage from processes such as indentation and energetic ion bombardment.

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“…Applications are found for simulating plastic damage [127] or the interface and lubricant behavior [229].…”

Section: Multi-scale Multi-physics and Multi-resolution Modelsmentioning

confidence: 99%

Metal forming beyond shaping: Predicting and setting product properties

et al. 2015

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Molecular Dynamics Simulations of Plastic Damage in Metals

Cited by 7 publications

References 95 publications

Multiphysics Modeling and Numerical Simulation in Computer-Aided Manufacturing Processes

Multiphysics Modeling and Numerical Simulation in Computer-Aided Manufacturing Processes

Statistical and image analysis for characterizing simulated atomic-scale damage in crystals

Metal forming beyond shaping: Predicting and setting product properties

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