Related papers: Density dependent local structures in InTe phase-c…
There is an increasing interest in the fabrication of cement-based materials via additive manufacturing (AM) techniques. However, the processing-induced heterogeneities and interfaces represent a major challenge. The role of processing in…
We report on an inelastic (Raman) light scattering study of the local structure of amorphous GeTe films. A detailed analysis of the temperature-reduced Raman spectra has shown that appreciable structural changes occur as a function of…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
Phase-change memory devices have found applications in in-memory computing where the physical attributes of these devices are exploited to compute in place without the need to shuttle data between memory and processing units. However,…
While solid-state materials are commonly classified as covalent, ionic, or metallic, there are cases that defy these iconic bonding mechanisms. A prominent example is given by phase-change materials (PCMs) for data storage or photonics,…
Electrically tunable optical devices present diverse functionalities for manipulating electromagnetic waves by leveraging elements capable of reversibly switching between different optical states. This adaptability in adjusting their…
Phase-separated manganites provide a unique platform to study the dynamics of competing electronic and structural orders in correlated systems. In La0.275Pr0.35Ca0.375MnO3 (LPCMO), we use temperature-cycling Raman spectroscopy to uncover a…
We have employed molecular dynamics simulations based on the TIP4P/2005 water model to investigate the local structural, dynamical, and dielectric properties of the two recently reported body-centered-cubic and face-centered-cubic plastic…
Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…
Variability has always been a challenge to mitigate in electronics. This especially holds true for organic semiconductors, where reproducibility and long-term stability concerns hinder industrialization. By relying on a bio-inspired…
In-memory computing (IMC) is an emerging non-von Neumann paradigm that leverages the intrinsic physics of memory devices to perform computations directly within the memory array. Among the various candidates, phase-change memory (PCM) has…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
Programmable and reconfigurable optics hold significant potential for transforming a broad spectrum of applications, spanning space explorations to biomedical imaging, gas sensing, and optical cloaking. The ability to adjust the optical…
We develop a geometrically intrinsic formulation of the arbitrary-order Virtual Element Method (VEM) on polygonal cells for the numerical solution of elliptic surface partial differential equations (PDEs). The PDE is first written in…
Phase change memory has been developed into a mature technology capable of storing information in a fast and non-volatile way, with potential for neuromorphic computing applications. However, its future impact in electronics depends…
Recent experiments and simulations have demonstrated that particle-covered interfaces can exist in stable non-spherical shapes as a result of the steric jamming of the interfacially trapped particles, which confers the interface with…
Amorphous solids, which show characteristic differences from crystals, are common in daily usage. Glasses, gels, and polymers are familiar examples, and polymers are particularly important in terms of their role in construction and…
Entropy governs molecular self-assembly, phase transitions, and material stability, yet remains challenging to quantify and directly control in molecular systems. Here, we demonstrate that the computable information density (CID), a data…
Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…