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Two classes of Phase Change Materials (PCMs) have emerged as the best candidates for applications requiring the fast reading and writing of data: GeTe-Sb$_{2}$Te$_{3}$ pseudobinary alloys (group 1) and doped Sb-Te compounds near the…
One significant drawback of a spectroscopic ellipsometry (SE) technique is its time-consuming and often complicated analysis procedure necessary to assess the optical functions of thin-film and bulk samples. Here, to solve this inherent…
We propose a new approach for calculating the change of the absorption spectrum of a molecule when moved from the gas phase to a crystalline morphology. The so-called gas-to-crystal shift $\Delta{\cal E}_m$ is mainly caused by dispersion…
Ice-templating is a well-established processing route for porous ceramics. Because of the structure/properties relationships, it is essential to better understand and control the solidification microstructures. Ice-templating is based on…
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…
The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored…
In this article, we discuss the stability of soft quasicrystalline phases in a coupled-mode Swift-Hohenberg model for three-component systems, where the characteristic length scales are governed by the positive-definite gradient terms.…
Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…
Isolating the features associated with different materials growth conditions is important to facilitate the tuning of these conditions for effective materials growth and characterization. This study presents machine learning models for…
Despite the advances in the development of numerical methods analytical approaches play a key role on the way towards a deeper understanding of strongly interacting systems. In this regards, renormalization schemes for Hamiltonians…
The microscopic model of semi-crystalline polymer in high-elastic state is proposed. The model is based on the assumption that, below the melting temperature, the semi-crystalline polymer comprises crystal nuclei connected by stretched…
Programmable photonic integrated circuits are expected to play an increasingly important role to enable high-bandwidth optical interconnects, and large-scale in-memory computing as needed to support the rise of artificial intelligence and…
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,…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
The development of visual luminescent thermometers capable of exhibiting pronounced color changes in response to temperature variations requires the rational design of phosphors with high spectrally selective thermal sensitivity. In this…
Phase-change materials (PCMs), which are well-established in optical and random-access memories, are increasingly studied for emerging topics such as brain-inspired computing and active photonics. These applications take advantage of the…
Crystal-structure match (CSM), the atom-to-atom correspondence between two crystalline phases, is used extensively to describe solid-solid phase transition (SSPT) mechanisms. However, existing computational methods cannot account for all…
We describe a scheme for producing conditional nonlinear phase shifts on two-photon optical fields using an interaction with one or more ancilla two-level atomic systems. The conditional field state transformations are induced by using high…
We propose a new method based on variational principle for analysis of photonic crystal (PC) slabs. Most of the methods used today treat PC slab as a three-dimensional (3D) crystal and this makes them very time and/or memory consuming. In…
We use a simplified model which is based on the same physics as inherent in most statistical models for nuclear multifragmentation. The simplified model allows exact calculations for thermodynamic properties of systems of large number of…