相关论文: Void Growth in BCC Metals Simulated with Molecular…

We present a comprehensive study of voids formation, nucleation and growth in a prototype model of binary alloys subjected to irradiation by using a combined approach based on phase field and rate theories. It is shown that voids formation…

Molecular dynamics simulations have been performed to understand the influence of temperature on the tensile deformation and fracture behavior of $<$111$>$ BCC Fe nanowires. The simulations have been carried out at different temperatures in…

Ductile failure is studied in a bcc HfNbTaZr High Entropy Alloy (HEA) with a pre-existing void. Using molecular dynamics simulations of uniaxial tensile tests, we explore the effect of void radius on the elastic modulus and yield stress.…

During hydraulic fracturing, the injection of a pressurized fluid in a brittle elastic medium leads to the formation and growth of fluid-filled fractures. A disc-like or penny-shaped fracture grows radially from a point source during the…

In this work, the spallation processes in the ductile metals are systematically discussed in theory. By employing the phase transition theory and non-equilibrium transport theory, the spallation processes of ductile metals under dynamic…

Molecular dynamics simulations in three-dimensional copper have been performed to quantify the void coalescence process leading to fracture. The correlated growth of the voids during their linking is investigated both in terms of the onset…

Kinetics of separation between the low and high density phases in a single component Lennard-Jones model has been studied via molecular dynamics simulations, at a very low temperature, in the space dimension $d=2$. For densities close to…

Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundamental knowledge gaps in relating the influence of…

Isolated kinks on thermally fluctuating (1/2)<111> screw, <100> edge and (1/2)<111> edge dislocations in bcc iron are simulated under zero stress conditions using molecular dynamics (MD). Kinks are seen to perform stochastic motion in a…

In this study, we present the first simulation results of the formation of dislocation cell wall microstructures in tantalum subjected to shock loading. Dislocation patterns and cell wall formation are important to understanding the…

We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

We present a novel method for simulation of the interior of large cosmic voids, suitable for study of the formation and evolution of objects lying within such regions. Following Birkhoff's theorem, void regions dynamically evolve as…

We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper films. Our results show that…

We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…

A continuum plasticity model for metals is presented from considerations of non-equilibrium thermodynamics. Of specific interest is the application of a fluctuation relation that subsumes the second law of thermodynamics en route to…

A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…

Cavitation is a common damage mechanism in soft solids. Here, we study this using a phase-separation technique in stretched, elastic solids to controllably nucleate and grow small cavities by several orders of magnitude. The ability to make…

Three dimensional calculations of ductile crack growth under mode I plane strain, small scale yielding conditions are carried out using an elastic-viscoplastic constitutive relation for a progres- sively cavitating plastic solid with two…

Molecular dynamics simulations are performed to investigate the structural phase transition in body-centered cubic (bcc) single crystal iron under high strain rate loading. We study the nucleation and growth of the hexagonal-close-packed…