Related papers: Atomistic Simulations of Flash Memory Materials Ba…
Implementing on-chip non-volatile optical memories has long been an actively pursued goal, promising significant enhancements in the capability and energy efficiency of photonic integrated circuits. Here, a novel optical memory has been…
Nanocrystalline Si and Ge are of high interest for integrated Si photonics related to light emission, optical sensors, photodetectors, solar energy harvesting and conversion devices, and also for floating gate non-volatile memories (NVMs).…
In this paper, we review some recent work on amorphous materials using current "first principles" electronic structure/molecular dynamics techniques. The main theme of the paper is to emphasize new directions in the use of such ab initio…
Analog Content Addressable Memories (aCAMs) have proven useful for associative in-memory computing applications like Decision Trees, Finite State Machines, and Hyper-dimensional Computing. While non-volatile implementations using FeFETs and…
Computational modeling is an important aspect of the research on nuclear waste materials. In particular, atomistic simulations, when used complementary to experimental efforts, contribute to the scientific basis of safety case for nuclear…
We consider the coherent stimulated Raman process developing in an optically dense and disordered atomic medium in application to the quantum memory scheme. Our theoretical model predicts that the hyperfine interaction in the excited state…
We study a calcium aluminosilicate glass of composition (SiO2)0.60(Al2O3)0.10(CaO)0.30 by means of molecular dynamics. To this end, we conduct parallel simulations, following a consistent methodology, but using three different potentials.…
Material properties are fundamentally dictated by multiscale phenomena, which often reach mesoscale in size. The {\mu}m mesoscale is also the size which can be observed directly under an optical microscope, bridging the atomistic…
We present thermodynamic crystallization and melting models and calculate phase change velocities in $Ge_2 Sb_2 Te_5$ based on kinetic and thermodynamic parameters. The calculated phase change velocities are strong functions of grain size,…
Glassiness is ubiquitous and diverse in characteristics in nature. Understanding their differences and classification remains a major scientific challenge. Here, we show that scaling of magnetic memories with time can be used to classify…
Two-dimensional (2D) transition metal dichalcogenides have emerged as a promising platform for next-generation optoelectronic and spintronic devices. Mechanical exfoliation using adhesive tape remains the dominant method for preparing 2D…
Sesqui-chalcogenides serve as a critical bridge between traditional semiconductors and quantum materials, offering significant potential in applications such as thermoelectrics, phase change memory, and topological insulators. While…
Shape memory alloys (SMAs) exhibit hysteresis behaviors upon stress and temperature induced loadings. In this contribution, we focus on numerical simulations of microstructure evolution of cubic-to-tetragonal martensitic phase…
We have developed models of metallic alloy glass forming ability based on newly computationally accessible features obtained from molecular dynamics simulations. In this work we showed that it is possible to increase the predictive value of…
Granular materials are heterogenous grains in contact, which are ubiquitous in many scientific and engineering applications such as chemical engineering, fluid mechanics, geomechanics, pharmaceutics, and so on. Granular materials pose a…
In recent years, simulation methods based on the scaling of atomic potential functions, such as quasi-coarse-grained dynamics and coarse-grained dynamics, have shown promising results for modeling crystalline systems at multiple scales.…
The crystal nucleation from liquid in most cases is too rare to be accessed within the limited timescales of the conventional molecular dynamics (MD) simulation. Here, we developed a "persistent embryo" method to facilitate crystal…
We provide a brief survey of our current developments in the simulation-based design of novel families of mesoscale porous materials using computational kinetic theory. Prospective applications on exascale computers are also briefly…
Using the Spectroscopic Limited Maximum Efficiency, and Shockley and Queisser predictor models, we compute the solar efficiency of the chalcopyrites AgMX2(M=In,Al;X=S,Se,Te). The results presented are based on the estimation of the…
We demonstrate coherent storage and retrieval of pulsed light using the atomic frequency comb quantum memory protocol in a room temperature alkali vapour. We utilise velocity-selective optical pumping to prepare multiple velocity classes in…