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Multi-scale modeling in thermal conductivity of Polyurethane incorporated with Phase Change Materials using Physics-Informed Neural Networks
Bokai Liu, Yizheng Wang, Timon Rabczuk +2
Polyurethane (PU) possesses excellent thermal properties, making it an ideal material for thermal insulation. Incorporating Phase Change Materials (PCMs) capsules into Polyurethane…
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…
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…
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…
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…
Prediction of C7N6 and C9N4: Stable and strong porous carbon-nitride nanosheets with attractive electronic and optical properties
Bohayra Mortazavi, Masoud Shahrokhi, Alexander V Shapeev +2
In this work, three novel porous carbon-nitride nanosheets with C7N6, C9N4 and C10N3 stoichiometries are predicted. First-principles simulations were accordingly employed to evalua…