161 citations · 641 across the 21 of their papers we have counts for
21 papers
Tailoring Heat Transfer at Silica-Water Interfaces via Hydroxyl and Methyl Surface Groups
Viktor Mandrolko, Konstantinos Termentzidis, David Lacroix +1
Efficient thermal transport across solid-liquid interfaces is essential for optimizing heat dissipation in modern technological applications. This study employs molecular dynamics…
Temperature Dependence of Phonon Energies and Lifetimes in Single- and Few-layered Graphene
Markos Poulos, Konstantinos Papagelis, Emmenuel N. Koukaras +3
In this work, we have studied the phonon properties of multi-layered graphene with the use of Molecular Dynamics (MD) simulations and the k-space Autocorrelation Sequence (k-VACS)…
Resonant phonons: Localization in a structurally ordered crystal
Albert Beardo, Paul Desmarchelier, Chia-Nien Tsai +3
Phonon localization is a phenomenon that influences numerous material properties in condensed matter physics. Anderson localization brings rise to localized atomic-scale phonon int…
Phonon Interference at the Atomic Scale
Paul Desmarchelier, Efstrátios Nikidis, Yoshiaki Nakamura +3
Phonons diffraction and interference patterns are observed at the atomic scale, using molecular dynamics simulations in systems containing crystalline silicon and nanometric obstac…
Thermal insulation and heat guiding using nanopatterned MoS2
Peng Xiao, Alexandros El Sachat, Emigdio Chávez Angel +5
In the modern electronics overheating is one of the major reasons for device failure. Overheating causes irreversible damage to circuit components and can also lead to fire, explos…
Molecular dynamics simulation of thermal transport across solid/liquid interface created by meniscus
Liudmyla Klochko, Viktor Mandrolko, Guillaume Castanet +5
Understandings heat transfer across a solid/liquid interface is important to develop new pathways to improve thermal management in various energy applications. One of the important…
Ballistic Heat Transport in Nanocomposite: the Role of the Shape and Interconnection of Nanoinclusions
Paul Desmarchelier, Alice Carré, Konstantinos Termentzidis +1
The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinc…
Thermal properties study of silicon nanostructures by photoacoustic techniques
K. Dubyk, T. Nychyporuk, V. Lysenko +5
The photoacoustic method with piezoelectric detection for the simultaneous evaluation of the thermophysical properties is proposed. The approach is based on the settling of an addi…
Transferability of neural network potentials for varying stoichiometry: phonons and thermal conductivity of MnGe compounds
Claudia Mangold, Shunda Chen, Giuseppe Barbalinardo +7
Germanium manganese compounds exhibit a variety of stable and metastable phases with different stoichiometry. These materials entail interesting electronic, magnetic and thermal pr…
Thermal transport enhancement of hybrid nanocomposites; impact of confined water inside nanoporous silicon
Mykola Isaiev, Xiaorui Wang, Konstantinos Termentzidis +1
The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecu…
Thermal transport across nanometre gaps: phonon transmission vs air conduction
A. Alkurdi, C. Adessi, F. Tabatabaei +3
Heat transfer between two surfaces separated by a nanometre gap is important for a number of applications ranging from spaced head disk systems, scanning thermal microscopy and the…
Decorated dislocations against phonon propagation for thermal management
Stefanos Giaremis, Joseph Kioseoglou, Mykola Isaiev +3
The impact of decorated dislocations on the effective thermal conductivity of GaN is investigated by means of equilibrium molecular dynamics simulations via the Green-Kubo approach…
Enhanced thermal conductivity in percolating nanocomposites: a molecular dynamics investigation
Konstantinos Termentzidis, Valentina M. Giordano, Maria Katsikini +5
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for…
Thermal conductivity of disordered porous membranes
Marianna Sledzinska, Bartlomiej Graczykowski, Francesc Alzina +4
We report measurements and Monte Carlo simulations of thermal conductivity of porous 100nm- thick silicon membranes, in which size, shape and position of the pores were varied rand…
Thermal transport in 2D and 3D nanowire networks
Maxime Verdier, David Lacroix, Konstantinos Termentzidis
We report on thermal transport properties in 2 and 3 dimensions interconnected nanowire networks (strings and nodes). The thermal conductivity of these nanostructures decreases in…
Gibbs adsorption impact on a nanodroplet shape: modification of Young-Laplace equation
Mykola Isaiev, Sergii Burian, Leonid Bulavin +6
An efficient technique for the evaluation of the Gibbs adsorption of a liquid on a solid substrate is presented. The behavior of a water nanodroplet on a silicon surface is simulat…
Impact of Screw and Edge Dislocation on the Thermal Conductivity of Nanowires and Bulk GaN
Konstantinos Termentzidis, Mykola Isaiev, Anastasiia Salnikova +3
We report on thermal transport properties of wurtzite GaN in the presence of dislocations, by using molecular dynamics simulations. A variety of isolated dislocations in a nanowire…
Size dependence of the surface tension of a free surface of an isotropic fluid
Sergii Burian, Mykola Isaiev, Konstantinos Termentzidis +2
We report on the size dependence of the surface tension of a free surface of an isotropic fluid. The size dependence of the surface tension is evaluated based on the Gibbs-Tolman-K…
Thermal boundary conductance across rough interfaces probed by molecular dynamics
Samy Merabia, Konstantinos Termentzidis
In this article, we report the influence of the interfacial roughness on the thermal boundary conductance between two crystals, using molecular dynamics. We show evidence of a tran…
Thermal conductance at the interface between crystals using equilibrium and non-equilibrium molecular dynamics
Samy Merabia, Konstantinos Termentzidis
In this article, we compare the results of non-equilibrium (NEMD) and equilibrium (EMD) molecular dynamics methods to compute the thermal conductance at the interface between solid…
CO adsorption on metal surfaces: a hybrid functional study with plane wave basis set
A. Stroppa, K. Termentzidis, J. Paier +2
We present a detailed study of the adsorption of CO on Cu, Rh, and Pt (111) surfaces in top and hollow sites. The study has been performed using the local density approximation, th…