[HTML][HTML] Unveiling the structural origin to control resistance drift in phase-change memory materials
The global demand for data storage and processing is increasing exponentially. To deal
with this challenge, massive efforts have been devoted to the development of advanced …
with this challenge, massive efforts have been devoted to the development of advanced …
Theoretical and experimental advances in high-pressure behaviors of nanoparticles
Using compressive mechanical forces, such as pressure, to induce crystallographic phase
transitions and mesostructural changes while modulating material properties in …
transitions and mesostructural changes while modulating material properties in …
[HTML][HTML] CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
CP2K is an open source electronic structure and molecular dynamics software package to
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …
Design rules for phase‐change materials in data storage applications
Phase‐change materials can rapidly and reversibly be switched between an amorphous
and a crystalline phase. Since both phases are characterized by very different optical and …
and a crystalline phase. Since both phases are characterized by very different optical and …
Preparation, characterization and thermal properties of micro-encapsulated phase change materials
In this study, a novel microencapsulated phase change material (palmitic acid@ AlOOH)
was prepared using an in situ emulsion interfacial poly-condensation method. The resulting …
was prepared using an in situ emulsion interfacial poly-condensation method. The resulting …
Distortion-triggered loss of long-range order in solids with bonding energy hierarchy
An amorphous-to-crystal transition in phase-change materials like Ge–Sb–Te is widely used
for data storage. The basic principle is to take advantage of the property contrast between …
for data storage. The basic principle is to take advantage of the property contrast between …
Second generation Car–Parrinello molecular dynamics
TD Kühne - Wiley Interdisciplinary Reviews: Computational …, 2014 - Wiley Online Library
Computer simulation methods, such as Monte Carlo or molecular dynamics, are very
powerful theoretical techniques to provide detailed and essentially exact informations on …
powerful theoretical techniques to provide detailed and essentially exact informations on …
Ab Initio Computer Simulation of the Early Stages of Crystallization: Application <?format ?>to Phase-Change Materials
TH Lee, SR Elliott - Physical Review Letters, 2011 - APS
By virtue of the ultrashort phase-transition time of phase-change memory materials, eg, Ge 2
Sb 2 Te 5, we successfully reproduce the early stages of crystallization in such a material …
Sb 2 Te 5, we successfully reproduce the early stages of crystallization in such a material …
First-principles study of crystalline and amorphous Ge2Sb2Te5 and the effects of stoichiometric defects
Based on ab initio molecular dynamics simulations, we investigated the structural, electronic
and vibrational properties of cubic and amorphous Ge 2 Sb 2 Te 5 (GST) phase change …
and vibrational properties of cubic and amorphous Ge 2 Sb 2 Te 5 (GST) phase change …
Thermal Effects on CH3NH3PbI3 Perovskite from Ab Initio Molecular Dynamics Simulations
We present a molecular dynamics simulation study of CH3NH3PbI3 based on forces
calculated from density functional theory. The simulations were performed on model systems …
calculated from density functional theory. The simulations were performed on model systems …