PHENOMENOLOGICAL STUDY OF INDUCED STRUCTURAL METASTABILITY An Operational Dynamic Confinement Criterion (Bravo Protocol)

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Authors: Jose Luis Bravo Roldan
Cited by: 0

Abstract

. Phenomenological Study of Induced Structural Metastability: An Operational Dynamic Confinement Criterion (Bravo Protocol) This dataset and accompanying manuscript detail the discovery of a non-equilibrium stability window in condensed matter systems using the Bravo Protocol. Through high-pressure molecular dynamics (MD) simulations, it is demonstrated that structural integrity can be maintained at energy densities where classical thermodynamics typically predicts phase collapse or melting. The core of this contribution is the Protocol-Induced Stability Criterion (PISC), which identifies a path-dependent work injection trajectory that circumvents stochastic activation. A key finding is the emergence of a dimensionless protocol-coordinate, $Z \approx 42.2$, which consistently marks the threshold between elastic metastability and the activated regime across different atomic systems (He, W, F) and hardware architectures. Keywords: Molecular Dynamics, Non-equilibrium Thermodynamics, Structural Metastability, Bravo Protocol, Computational Materials Science, High-Pressure Physics. Methodology: Simulations were performed using LAMMPS on high-performance architectures (AMD Ryzen 7800X3D). The data includes raw logs showing the transition from a "Bravo Plateau" of elastic stability to the computational limit identified by neighbor list overflow.

Fields of Study & Subjects

High-pressure geophysics and materials Material Dynamics and Properties nanoparticles nucleation surface interactions

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
16 January 2026
Language
EN