相关论文: Void Growth in BCC Metals Simulated with Molecular…
Understanding failure in nanomaterials is critical for the design of reliable structural materials and small-scale devices that have components or microstructural elements at the nanometer length scale. No consensus exists on the effect of…
A binary liquid near its consolute point exhibits critical fluctuations of the local composition; the diverging correlation length has always challenged simulations. The method of choice for the calculation of critical points in the phase…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…
Molecular dynamics simulations of the temperature dependent crystal growth rates of the salts, NaCl and ZnS, from their melts are reported, along with those of a number of pure metals. The growth rate of NaCl and the FCC-forming metals show…
Ductile damage in sheet steels is caused by voids. It is crucial for product design to predict the distribution of voids in bent components. Since the void volume fraction is a state variable in the Gurson-Tvergaard-Needleman (GTN) model,…
Recent theoretical investigations [Belonoshko et al. Nature Geoscience 10, 312 (2017)] revealed occurrence of concerted migration of several atoms in bcc Fe at inner-core temperatures and pressures. Here, we combine first-principles and…
The time evolution of the expanding Colorless Partonic Matter, created in Ultra-Relativistic Heavy Ion Collisions and undergoing the confining phase transition towards a Hadronic Gas, is discussed in the context of a unified model combining…
Molecular dynamics simulations on a three dimensional defective Lennard-Jones solid containing a void are performed in order to investigate detailed properties of hot spot generation. In addition to the temperature, I monitor the number of…
Topological defects resulted from boundary constraints in confined liquid crystals have attracted extensive research interests. In this paper, we use numerical simulation to study the phase transition dynamics in the context of stochastic…
Initial volume fluctuation (VF) arising from the participant fluctuation would be the background which should be subtracted experimentally from the measured higher-order cumulants. We study the validity of the Volume Fluctuation Correction…
An important question in the physics of superconducting nanostructures is the role of thermal fluctuations on superconductivity in the zero-dimensional limit. Here, we probe the evolution of superconductivity as a function of temperature…
We report simulations on the homogeneous liquid-fcc nucleation of charged colloids for both low and high contact energy values. As a precursor for crystal formation, we observe increased local order at the position where the crystal will…
Voids can be observed at various scales in ductile materials, frequently of sizes lower than the grain size, leading to porous single crystals materials. Two local deformation modes of porous ductile (single crystals) materials have been…
Weakly coupled semiconductor superlattices under dc voltage bias are nonlinear systems with many degrees of freedom whose nonlinearity is due to sequential tunneling of electrons. They may exhibit spontaneous chaos at room temperature and…
We report a numerical study addressing the dynamics of compound vesicles confined in a channel under shear flow. The system comprises a smaller vesicle embedded within a larger one and can be used to mimic, for example, leukocytes or…
Understanding the mechanism of nucleation of the stable phase inside the metastable parent phase during a first order phase transition has been a subject of outstanding interest in natural science. The problem becomes even more challenging…
Utilizing an atomistic computational model which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to investigate the effect of vacancy defects on spin wave…
Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…
The interaction between cracks, as well as their propagation, in single-crystal aluminum is investigated at the atomic scale using the molecular dynamics method and the modified embedded atom method. The results demonstrated that the crack…
We introduce a coupled system of PDEs for the modeling of the fluid-fluid and fluid-solid interaction in a poroelastic material with a single static fracture. The fluid flow in the fracture is modeled by a lower-dimensional Darcy equation,…