123 citations · 476 across the 44 of their papers we have counts for
12 papers · 1 filter
First-principles calculations of electrical conductivities of edge-modified graphene nanoribbons: strain effect
Sanjay Prabhakar, Roderick Melnik
We investigate the influence of strain on the electrical properties of graphene nanoribbons that have potential applications in making sensors and other optoelectronic devices. In…
Temperature Induced Cubic-to-Tetragonal Transformations in Shape Memory Alloys Using a Phase-Field Model
R. Dhote, H. Gomez, R. Melnik +1
Shape memory alloys (SMAs) exhibit hysteresis behaviors upon stress and temperature induced loadings. In this contribution, we focus on numerical simulations of microstructure evol…
3D Coupled Thermo-Mechanical Phase-Field Modeling of Shape Memory Alloy Dynamics via Isogeometric Analysis
R. Dhote, H. Gomez, R. Melnik +1
The paper focuses on numerical simulation of the phase-field (PF) equations for modeling martensitic transformations in shape memory alloys (SMAs), their complex microstructures an…
Three Dimensional Non-Isothermal Ginzburg-Landau Phase-Field Model for Shape Memory Alloys
R. Dhote, M. Fabrizio, R. Melnik +1
In this paper, a macroscopic three dimensional non-isothermal model is proposed to describe hysteresis phenomena and phase transformations in shape memory alloys (SMAs). The model…
Shape Memory Alloy Nanostructures With Coupled Dynamic Thermo-Mechanical Effects
R. Dhote, H. Gomez, R. Melnik +1
Employing the Ginzburg-Landau phase-field theory, a new coupled dynamic thermo-mechanical 3D model has been proposed for modeling the cubic-to-tetragonal martensitic transformation…
Temperature dependent elastic constants and ultimate strength of graphene and graphyne
Tianjiao Shao, Bin Wen, Roderick Melnik +3
Based on the first principles calculation combined with quasi-harmonic approximation, in this work we focus on the analysis of temperature dependent lattice geometries, thermal exp…
Temperature dependent elastic constants for crystals with arbitrary symmetry: combined first principles and continuum elasticity theory
Tianjiao Shao, Bin Wen, Roderick Melnik +3
To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free en…
Hydrogen-doped cubic diamond and the crystal structure of n-diamond
Bin Wen, Roderick Melnik, Shan Yao +1
To understand the crystal structure of n-diamond, a hydrogen-doped (H-doped) diamond model has been investigated using first principles calculations. In particular, hydrogen concen…
Spin-orbit interaction in three-dimensionally bounded semiconductor nanostructures
Eduard Takhtamirov, Roderick V. N. Melnik
The structural inversion asymmetry-induced spin-orbit interaction of conduction band electrons in zinc-blende and wurtzite semiconductor structures is analysed allowing for a three…
Modeling the Field Emission Current Fluctuation in Carbon Nanotube Thin Films
N. Sinha, D. Roy Mahapatra, J. T. W. Yeow +1
Owing to their distinct properties, carbon nanotubes (CNTs) have emerged as promising candidate for field emission devices. It has been found experimentally that the results relate…
Thermo-Mechanical Wave Propagation In Shape Memory Alloy Rod With Phase Transformations
Linxiang X. Wang, Roderick V. N. Melnik
Many new applications of ferroelastic materials require a better understanding of their dynamics that often involve phase transformations. In such cases, an important prerequisite…
Model Reduction Applied to Square to Rectangular Martensitic Transformations Using Proper Orthogonal Decomposition
Linxiang X. Wang, Roderick V. N. Melnik
Model reduction using the proper orthogonal decomposition (POD) method is applied to the dynamics of ferroelastic patches to study the first order square to rectangular phase trans…