Related papers: Beam induced heating in electron microscopy modele…
Controlling the temperature in architectures involving nanoparticles and substrates is a key issue for applications involving micro and nanoscale heat transfer. We study the thermal behavior of a single nanoparticle interacting with a flat…
Despite its prediction over two decades ago, the detection of faint, high-temperature ("hot") emission due to nanoflare heating in non-flaring active region cores has proved challenging. Using an efficient two-fluid hydrodynamic model, this…
Accurate thermal analysis of composites and porous media requires detailed characterization of local thermal properties in small scale. For some important applications such as lithium-ion batteries, changes in the properties during the…
We report the development of a combined machine-learning and high-throughput density functional theory (DFT) framework to accelerate the search for new ferroelectric materials. The framework can predict potential ferroelectric compounds…
The effect of the electron temperature on both the light absorption and the scattering by metal nanoparticles (MNs) with excitation of the surface plasmon electron vibrations is studied in the framework of the kinetic theory. The formulae…
Tantalum nitride (TaN) has attracted considerable attention due to its unique electronic and thermal properties, high thermal conductivity, and applications in electronic components. However, for the {\theta}-phase of TaN, significant…
Recent experiments claimed that the enhancement of catalytic reaction rates occurs via the reduction of activation barriers driven by non-equilibrium (``hot'') electrons in plasmonic metal nanoparticles. These experiments place plasmonic…
Surface energies of metal-based systems are important for determining the Wulff-constructed shapes of metal nanoparticles and understanding the stability. We have developed a coordination number-based model to predict the total energy of…
Electron-beam-induced conversion of materials in a transmission electron microscope uses the high power density of a localized electron beam of acceleration voltages above 100 kV as an energy source to transform matter at the sub-micron…
Absorption of electromagnetic energy by a dissipative material is one of the most fundamental electromagnetic processes that underlies a plethora of applied problems, including sensing and molecular detection, radar detection, wireless…
Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…
We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy,…
An interatomic potential for Al-Tb alloy around the composition of Al90Tb10 was developed using the deep neural network (DNN) learning method. The atomic configurations and the corresponding total potential energies and forces on each atom…
According to density functional theory, any chemical property can be inferred from the electron density, making it the most informative attribute of an atomic structure. In this work, we demonstrate the use of established physical methods…
Multiscale plasmonic systems e.g. extended metallic nanostructures with sub-nanometer inter-distances) play a key role in the development of next-generation nano-photonic devices. An accurate modeling of the optical interactions in these…
The properties of lithium metal are key parameters in the design of lithium ion and lithium metal batteries. They are difficult to probe experimentally due to the high reactivity and low melting point of lithium as well as the microscopic…
In this paper we use layer potentials and asymptotic analysis techniques to analyze the heat generation due to nanoparticles when illuminated at their plasmonic resonance. We consider arbitrary-shaped particles and both single and multiple…
The design of efficient electrolysis devices for pure metal production requires accurate data on the properties of the melts used in the process. This work focuses on two key systems for calcium production: the molten Ca-Cu alloy and the…
We developed new modified embedded-atom method (MEAM) interatomic potentials for the Mg-Al alloy system using a first-principles method based on density functional theory (DFT). The materials parameters, such as the cohesive energy,…
We analyze the mathematical model that describes the heat generated by electromagnetic nanoparticles. We use the known optical properties of the nanoparticles to control the support and amount of the heat needed around a nanoparticle.…