相关论文: Pressure-induced amorphization, crystal-crystal tr…
We study a system of classical particles in two dimensions interacting through an isotropic pair potential that displays a martensitic phase transition between a triangular and a rhomboidal structure upon the change of a single parameter.…
An isotropic interaction potential for classical particles is devised in such a way that the crystalline ground state of the system changes discontinuously when some parameter of the potential is varied. Using this potential we model…
Using a modified Lennard-Jones model for anisotropic particles, we present results of molecular dynamics simulation in two dimensions. In one-component systems, we find crystallization, a Berezinskii-Kosterlitz-Thouless phase, and a…
Our investigations on porous Si show that on increase of pressure it undergoes crystalline phase transitions instead of pressure induced amorphization - claimed earlier, and the amorphous phase appears only on release of pressure. This…
We demonstrate that plastic deformation in solids is associated with a dynamic transition that is reminiscent to the transition from a superconducting to a mixed phase in Type II superconductors. We report analytic calculations, extensive…
Mechanical amorphization, a widely observed phenomenon, has been utilized to synthesize novel phases by inducing disorder through external loading, thereby expanding the realm of glass-forming systems. Empirically, it has been plausible…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
Molecular dynamics simulations are performed to provide a detailed understanding of the functional degradation of shape memory alloys at small scale. The origin of the experimentally reported accumulation of plastic deformation and the…
The kinetic process of mechanical amorphization plays a central role in tailoring material properties. Therefore, a quantitative understanding of how this process depends on loading parameters is critical for optimizing mechanical…
Soft matter systems are common in nature and make up nearly all the essential components necessary for life, from cells to the organelles within those cells. The ability of these soft materials to deform is crucial for the proper…
In this paper we introduce a 3D phenomenological model for shape memory behavior, accounting for: martensite reorientation, asymmetric response of the material to tension/compression, different kinetics between forward and reverse phase…
Using a modified Lennard-Jones model for elliptic particles and spherical impurities, we present results of molecular dynamics simulation in two dimensions. In one-component systems of elliptic particles, we find an orientation phase…
We report results of ab initio constant-pressure molecular dynamics simulations of sulfur compression leading to structural transition and pressure-induced amorphization. Starting from the orthorhombic S-I phase composed of S$_8$ ring…
The mechanical properties of crystalline materials can be substantially modified under confinement. Such modified macroscopic properties are usually governed by the altered microstructures and internal stress fields. Here, we use a parallel…
Acoustic emission signals are known to exhibit a high degree of reproducibility in time and show correlations with the growth and shrinkage of martensite domains when athermal martensites are subjected to repeated thermal cycling in a…
We study the athermal mechanical response of deformable ring assemblies to quasistatic compression. Beyond jamming, further densification induces buckling of rings, resulting in macroscopic mechanical softening. Under cyclic compression,…
Layered transition-metal trichalcogenides have become one of the research frontiers as two-dimensional magnets and candidate materials used for phase-change memory devices. Herein we report the high-pressure synchrotron X-ray diffraction…
Experimentally resolving atomic-scale structural changes of a deformed glass remains challenging owing to the disordered nature of glass structure. Here, we show that the structural anisotropy emerges as a general hallmark for different…
Martensite damage in Dual-Phase (DP) steel has been studied extensively, yet, the exact deformation mechanisms that trigger or inhibit damage initiation remain mostly unexplored. Whereas generally assumed to be hard and brittle, lath…
Targeting specific technological applications requires the control of nanoparticle properties, especially the crystalline polymorph. Freezing a nanodroplet deposited on a solid substrate leads to the formation of crystalline structures. We…