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While phase-change materials (PCMs) composed of chalcogenide have different crystallization mechanisms (CM), such as nucleation-dominated Ge2Sb2Te5 (GST) and growth-dominated GeTe (GT), revealing the essential reason of CM as well as the…
External stress can accelerate molecular mobility of amorphous solids by several orders of magnitude. The changes in mobility are commonly interpreted through the Eyring model, which invokes an empirical activation volume whose origin…
Machine-learned potential-driven molecular dynamics (MLMD) simulations are of great value in guiding the design and optimization of memory devices. Amorphous indium-tin-oxide (ITO) is widely used as transparent conducting oxide for…
Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…
A wide variety of real random composites can be studied by means of prototypes of multiphase microstructures with a controllable spatial inhomogeneity. To create them, we propose a versatile model of randomly overlapping super-spheres of a…
Polyamide 6,6 (PA66) is a key engineering polymer, whose unique mechanical properties arise from strong interchain hydrogen bonding. However, its hygroscopic nature makes it highly sensitive to water uptake, which markedly alters its…
During the reversible insertion of ions, lattices in intercalation materials undergo structural transformations. These lattice transformations generate misfit strains and volume changes that, in turn, contribute to the structural decay of…
Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…
In Valence Change Memory (VCM) cells, the conductance of an insulating switching layer is reversibly modulated by creating and redistributing point defects under an external field. Accurate simulations of the switching dynamics of these…
The present paper numerically analyzes a passive cooling system using enclosures with different geometries filled with thermal conductivity-enhanced phase change material (PCM). A numerical code is developed using an unstructured…
Compute in-memory (CIM) is a promising technique that minimizes data transport, the primary performance bottleneck and energy cost of most data intensive applications. This has found wide-spread adoption in accelerating neural networks for…
Aside from recent advances in artificial intelligence (AI) models, specialized AI hardware is crucial to address large volumes of unstructured and dynamic data. Hardware-based AI, built on conventional complementary metal-oxidesemiconductor…
Temporal entanglement (TE) of an influence matrix (IM) has been proposed as a measure of complexity of simulating dynamics of local observables in a many-body system. Foligno et al. [Phys. Rev. X 13, 041008 (2023)] recently argued that the…
Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…
This study evaluates four widely used fracture simulation methods, comparing their computational expenses and implementation complexities within the Finite Element (FE) framework when employed on heterogeneous solids. Fracture methods…
Phase-change memory (PCM) is a scalable and low latency non-volatile memory (NVM) technology that has been proposed to serve as storage class memory (SCM), providing low access latency similar to DRAM and often approaching or exceeding the…
We present a multiscale simulation framework to compute the current vs. voltage (I-V ) characteristics of metal/oxide/metal structures building the core of conductive bridging random access memory (CBRAM) cells and to shed light on their…
Structural symmetry of crystals plays important roles in physical properties of two-dimensional (2D) materials, particularly in the nonlinear optics regime. It has been a long-term exploration on the physical properties in 2D materials with…
Disorder and homogeneity are two concepts that refer to spatial variation of the system potential. In condensed-matter systems disorder is typically divided into two types; those with local parameters varying from site to site (diagonal…
Metal halide perovskites are multifunctional semiconductors with tunable structures and properties. They are highly dynamic crystals with complex octahedral tilting patterns and strongly anharmonic atomic behaviour. In the higher…