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One of the most widely used active materials for phase-change memories (PCM), the ternary stoichiometric compound Ge$_2$Sb$_2$Te$_5$ (GST), has a low crystallization temperature of around 150$^\circ$C. One solution to achieve higher…

材料科学 · 物理学 2024-09-11 Robin Miquel , Thomas Cabout , Olga Cueto , Benoît Sklénard , Mathis Plapp

We consider problems of dynamic viscoelasticity taking into account the coupling of elastic and thermal fields. Efficient approximate models are developed and computational results on thermomechanical behaviour of shape-memory-alloy…

数值分析 · 数学 2025-10-20 R. V. N. Melnik , A. J. Roberts

Phase-change materials based on Ge-Sb-Te alloys are widely used in industrial applications such as nonvolatile memories, but reaction pathways for crystalline-to-amorphous phase-change on picosecond timescales remain unknown. Femtosecond…

We developed a machine learning interatomic potential (MLIP) for Ge-rich GeSbTe alloys of interest for applications in phase change memories embedded in microcontrollers. The MLIP was generated by fitting with a neural network method a…

材料科学 · 物理学 2026-04-16 Omar Abou El Kheir , Dario Baratella , Marco Bernasconi

We employed ab-initio molecular dynamics to directly simulate the effects of Ag alloying ($\sim5%$ Ag concentration) on the phase change properties of Ge$_{2}$Sb$_{2}$Te$_{5}$. The short range order is preserved, whereas a slight…

材料科学 · 物理学 2015-06-12 B. Prasai , G. Chen , D. A. Drabold

Employing the Ginzburg-Landau phase-field theory, a new coupled dynamic thermo-mechanical 3D model has been proposed for modeling the cubic-to-tetragonal martensitic transformations in shape memory alloy (SMA) nanostructures. The…

材料科学 · 物理学 2015-05-20 R. Dhote , H. Gomez , R. Melnik , J. Zu

We model electrical conductivity in metastable amorphous $Ge_{2}Sb_{2}Te_{5}$ using independent contributions from temperature and electric field to simulate phase change memory devices and Ovonic threshold switches. 3D, 2D-rotational, and…

应用物理 · 物理学 2021-02-03 Jake Scoggin , Helena Silva , Ali Gokirmak

Phase change materials are exploited in several enabling technologies such as storage class memories, neuromorphic devices and memories embedded in microcontrollers. A key functional property for these applications is the fast crystal…

材料科学 · 物理学 2025-01-14 Omar Abou El Kheir , Marco Bernasconi

We present a stochastic simulator for polycrystalline phase-change materials capable of spatio-temporal modelling of complex anneals. This is based on consideration of bulk and surface energies to generate rates of growth and decay of…

计算物理 · 物理学 2007-09-21 Peter Ashwin , Patnaik BSV , C. David Wright

A machine-learned interatomic potential for Ge-rich Ge$_x$Te alloys has been developed aiming at uncovering the kinetics of phase separation and crystallization in these materials. The results are of interest for the operation of embedded…

材料科学 · 物理学 2024-04-24 Dario Baratella , Omar Abou El Kheir , Marco Bernasconi

The phase change compound Ge$_2$Sb$_2$Te$_5$ (GST225) is exploited in advanced non-volatile electronic memories and in neuromorphic devices which both rely on a fast and reversible transition between the crystalline and amorphous phases…

材料科学 · 物理学 2024-02-16 Omar Abou El Kheir , Luigi Bonati , Michele Parrinello , Marco Bernasconi

Porous electrodes composed of multiphase active materials are widely used in Li-ion batteries, but their dynamics are poorly understood. Two-phase models are largely empirical, and no models exist for three or more phases. Using a modified…

化学物理 · 物理学 2014-02-07 Todd R. Ferguson , Martin Z. Bazant

The paper focuses on numerical simulation of the phase-field (PF) equations for modeling martensitic transformations in shape memory alloys (SMAs), their complex microstructures and thermo-mechanical behavior. The PF model is based on the…

材料科学 · 物理学 2014-03-25 R. Dhote , H. Gomez , R. Melnik , J. Zu

Phase change materials are exploited in non-volatile electronic memories and photonic devices that rely on a fast and reversible transformation between the amorphous and crystalline phase upon heating. The recrystallization of the amorphous…

无序系统与神经网络 · 物理学 2025-10-24 Simone Marcorini , Rocco Pomodoro , Omar Abou El Kheir , Marco Bernasconi

Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simulations are necessarily limited to simplified models,…

材料科学 · 物理学 2022-09-20 Yuxing Zhou , Wei Zhang , En Ma , Volker L. Deringer

Phase change materials are the most promising candidates for the realization of artificial synapsis for neuromorphic computing. Different resistance levels corresponding to analogic values of the synapsis conductance can be achieved by…

材料科学 · 物理学 2025-01-31 Debdipto Acharya , Omar Abou El Kheir , Simone Marcorini , Marco Bernasconi

Chalcogenide phase-change materials (PCMs) are widely applied in electronic and photonic applications, such as non-volatile memory and neuro-inspired computing. Doped Sb$_2$Te alloys are now gaining increasing attention for on-chip photonic…

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…

材料科学 · 物理学 2014-03-25 R. Dhote , H. Gomez , R. Melnik , J. Zu

Phase change memory (PCM) is an emerging high speed, high density, high endurance, and scalable non-volatile memory technology which utilizes the large resistivity contrast between the amorphous and crystalline phases of chalcogenide…

新兴技术 · 计算机科学 2019-04-02 Raihan Sayeed Khan , Nadim H. Kanan , Jake Scoggin , Helena Silva , Ali Gokirmak

Germanium antimony telluride has been the most used and studied phase-change material for electronic memory due to its suitable crystallization temperature, amorphous to crystalline resistance contrast, and stability of the amorphous phase.…

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