activity
20172026
most citedExceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

625 citations · 4.4k across the 46 of their papers we have counts for

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11 papers · 1 filter

physics.comp-ph2025

Towards Unified AI-Driven Fracture Mechanics: The Extended Deep Energy Method (XDEM)

Yizheng Wang, Yuzhou Lin, Somdatta Goswami +8

Physics-Informed Neural Networks (PINNs) have recently emerged as powerful tools for solving partial differential equations (PDEs), with the Deep Energy Method (DEM) proving especi…

physics.comp-ph2025

Multi-Head Neural Operator for Modelling Interfacial Dynamics

Mohammad Sadegh Eshaghi, Navid Valizadeh, Cosmin Anitescu +3

Interfacial dynamics underlie a wide range of phenomena, including phase transitions, microstructure coarsening, pattern formation, and thin-film growth, and are typically describe…

physics.comp-ph2021108 cited

Machine learning assisted multiscale modeling of composite phase change materials for Li-ion batteries thermal management

Felix Kolodziejczyk, Bohayra Mortazavi, Timon Rabczuk +1

In this work, we develop a combined convolutional neural networks (CNNs) and finite element method (FEM) to examine the effective thermal properties of composite phase change mater…

physics.comp-ph2020162 cited

Nanoporous C3N4, C3N5 and C3N6 nanosheets; Novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties

Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi +4

Carbon nitride two-dimensional (2D) materials are among the most attractive class of nanomaterials, with wide range of application prospects. As a continuous progress, most recentl…

physics.comp-ph202058 cited

As2S3, As2Se3 and As2Te3 nanosheets: Superstretchable semiconductors with anisotropic carrier mobilities and optical properties

Bohayra Mortazavi, Fazel Shojaei, Maryam Azizi +2

In this work, density functional theory calculations were carried out to explore the mechanical response, dynamical/thermal stability, electronic/optical properties and photocataly…

physics.comp-ph20192 cited

A meshfree formulation for large deformation analysis of flexoelectric structures accounting for the surface effects

Xiaoying Zhuang, S. S. Nanthakumar, Timon Rabczuk

In this work, we present a compactly supported radial basis function (CSRBF) based meshfree method to analyse geometrically nonlinear flexoelectric nanostructures considering surfa…