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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…

Materials Science · Physics 2026-04-16 Omar Abou El Kheir , Dario Baratella , 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…

Materials Science · Physics 2024-02-16 Omar Abou El Kheir , Luigi Bonati , Michele Parrinello , Marco Bernasconi

GeTe is a prototypical phase change material of high interest for applications in optical and electronic non-volatile memories. We present an interatomic potential for the bulk phases of GeTe, which is created using a neural network (NN)…

Materials Science · Physics 2012-08-02 Gabriele C. Sosso , Giacomo Miceli , Sebastiano Caravati , Jörg Behler , Marco Bernasconi

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…

Materials Science · Physics 2025-01-14 Omar Abou El Kheir , Marco Bernasconi

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…

Materials Science · Physics 2024-09-11 Robin Miquel , Thomas Cabout , Olga Cueto , Benoît Sklénard , Mathis Plapp

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…

Materials Science · Physics 2025-01-31 Debdipto Acharya , Omar Abou El Kheir , Simone Marcorini , Marco Bernasconi

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…

Disordered Systems and Neural Networks · Physics 2025-10-24 Simone Marcorini , Rocco Pomodoro , Omar Abou El Kheir , Marco Bernasconi

In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…

Understanding phase transitions between crystalline phases of a material is crucial for both fundamental research and potential applications such as phase-change memory. In this study, we investigate the phase transition between GeSe…

Materials Science · Physics 2025-08-26 Joonho Kim , Kihyun Lee , Joong-Eon Jung , Han Joo Lee , Seongil Im , Kwanpyo Kim

Here we report the discovery of superconductivity in multiple phases of the compressed GeSb2Te4 (GST) phase change memory alloy, which has attracted considerable attention for the last decade due to its unusual physical properties with many…

Phase change materials such as Ge$_{2}$Sb$_{2}$Te$_{5}$ (GST) are ideal candidates for next-generation, non-volatile, solid-state memory due to the ability to retain binary data in the amorphous and crystal phases, and rapidly transition…

Materials Science · Physics 2024-11-14 Owen R. Dunton , Tom Arbaugh , Francis W. Starr

We developed new modified embedded-atom method (MEAM) interatomic potentials for the Mg-Al alloy system using a first-principles method based on density functional theory (DFT). The materials parameters, such as the cohesive energy,…

Materials Science · Physics 2013-05-29 B. Jelinek , J. Houze , Sungho Kim , M. F. Horstemeyer , M. I. Baskes , Seong-Gon Kim

A set of Modified Embedded Atom Method (MEAM) potentials for the interactions between Al, Si, Mg, Cu, and Fe was developed from a combination of each element's MEAM potential in order to study metal alloying. Previously published MEAM…

A self-consistent model for the simulation of Ge-rich Ge$_2$Sb$_2$Te$_5$ phase change memories is presented. Combining the multi-phase field model and a phase-aware electro-thermal solver, it reproduces the multi-physics behavior of the…

Materials Science · Physics 2023-09-08 Robin Miquel , Thomas Cabout , Olga Cueto , Benoît Sklénard , Mathis Plapp

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…

The application of amorphous chalcogenide alloys as data-storage media relies on their ability to undergo an extremely fast (10-100 ns) crystallisation once heated at sufficiently high temperature. However, the peculiar features that make…

Disordered Systems and Neural Networks · Physics 2015-06-05 Gabriele C. Sosso , Joerg Behler , Marco Bernasconi

Ternary alloys of Ge-Sb-Te (GST) have been extensively studied due to their unique ability display a reversible change in their phase upon stimulation by optical pulses i.e., amorphous (a-GST) to crystalline (c-GST) and vice-versa. The two…

Materials Science · Physics 2022-06-17 Aditya Muralidharan

Tailoring the degree of structural disorder in Ge-Sb-Te alloys is important for the development of non-volatile phase-change memory and neuro-inspired computing. Upon crystallization from the amorphous phase, these alloys form a cubic…

Crystallization processes at the mesoscopic scale, where faceted, dendritic growth, and multigrain formation can be observed, are of particular interest within materials science and metallurgy. These processes are highly nonlinear,…

Machine Learning · Computer Science 2024-05-28 Pol Timmer , Koen Minartz , Vlado Menkovski

An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…

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