Related papers: A simple method for programming and analyzing mult…
When viewed with a cross-polarized optical microscope (POM), liquid crystals display interference colors and complex patterns that depend on the material's microscopic orientation. That orientation can be manipulated by application of…
The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…
Isomerization, i.e. the rearrangement between distinct molecular configurations, is a fundamental process in chemistry. Here we demonstrate that two-dimensional Coulomb crystals can emulate molecular isomerization and be used to…
The parameterization method (PM) provides a broad theoretical and numerical foundation for computing invariant manifolds of dynamical systems. PM implements a change of variables in order to represent trajectories of a system of ordinary…
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via the application of the lever rule, where an assigned molar…
Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been systematized using phase diagrams. We show here that the same…
Understanding the morphology formation process of solution-cast photoactive layers (PALs) is crucial to derive design rules for optimized and reliable third generation solar cell fabrication. For this purpose, a Phase-Field (PF)…
Phase change material (PCM) features distinct optical or electronic properties between amorphous and crystalline states. Recently, it starts to play a key role in the emerging photonic applications like optoelectronic display, dynamic…
The kinetics of the $\kappa$ to $\beta$-Ga$_2$O$_3$ phase transformation were investigated in five batches of nominally phase-pure $\kappa$-Ga2O3 thin films heteroepitaxially grown on c-plane sapphire, with film thickness ranging from 700…
We analyze, design and assess the performance of a reflective reconfigurable metasurface (MS) architecture for optical wireless communications. The device is based on the Ge-Sb-Te (GST225) phase-change material (PCM) alloy, thermally…
The switchable optical and electrical properties of phase change materials (PCMs) are finding new applications beyond data storage in reconfigurable photonic devices. However, high power heat pulses are needed to melt-quench the material…
The instant crystallization of semi-crystalline polymers have become possible following the recent advances in Fast Scanning Calorimetry (FSC) and enables to make a bridge between the time scale available experimentally with those…
We study the identification of quantum phases of matter, at zero temperature, when only part of the phase diagram is known in advance. Following a supervised learning approach, we show how to use our previous knowledge to construct an…
This paper proposes a semidefinite programming based method for estimating moments of a stochastic hybrid system (SHS). For polynomial SHSs -- which consist of polynomial continuous vector fields, reset maps, and transition intensities --…
Below the melting temperature $T_m$ crystals are the stable phase of typical elemental or molecular systems. However, cooling down a liquid below $T_m$, crystallization is anything but inevitable. The liquid can be supercooled, eventually…
A numerical method based on Matrix Product Formalism is proposed to study the phase transitions and shock formation in the Asymmetric Simple Exclusion Process with open boundaries and parallel dynamics. By working in a canonical ensemble,…
In Part I of this study, vibration assisted heat treatments of ZBLAN glass revealed irregular crystallization at higher vibration levels, attributed to intermittent loss of thermal contact between the sample and the inner silica ampoule…
Syndiotactic polystyrene (sPS) exhibits complex polymorphic behavior upon crystallization. Computational modeling of polymer crystallization has remained a challenging task because the relevant processes are slow on the molecular time…
We propose a low-cost approach for the synthesis of multifunctional CuSnS3 (CTS) ternary compound thin film via spray pyrolysis technique. By varying Sn and S doping concentrations, a high energy absorber layers of CuSnS3 thin films were…
Photoemission orbital tomography (POT) from photoelectron momentum maps (PMMs) has enabled detailed analysis of the shape and energy of molecular orbitals in the adsorbed state. This study proposes a new POT method based on the PhaseLift.…