55 citations · 87 across the 4 of their papers we have counts for
4 papers
Atomistic Modeling of Martensitic Phase Transition in Hexamethylbenzene
Zarif Fahim, Pedro A. Santos-Florez, Qiang Zhu
Materials exhibiting a martensitic phase transition are essential for applications in shape memory alloys, actuators and sensors. Hexamethylbenzene (HMB) has long been considered a…
Bending Deformation Driven by Molecular Rotation
Pedro A. Santos-Florez, Shinnosuke Hattori, Qiang Zhu
In recent years, certain molecular crystals have been reported to possess surprising flexibility by undergoing significant elastic or plastic deformation in response to mechanical…
Short-range order and its impacts on the BCC NbMoTaW multi-principal element alloy by the machine-learning potential
Pedro A. Santos-Florez, Shi-Cheng Dai, Yi Yao +5
We employ a machine-learning force field, trained by a neural network (NN) with bispectrum coefficients as descriptors, to investigate the short-range order (SRO) influences on the…
Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics
Pedro A. Santos-Florez, Howard Yanxon, Byungkyun Kang +2
In this work, we present an efficient framework that combines machine learning potential (MLP) and metadynamics to explore multi-dimensional free energy surfaces for investigating…