相关论文: rt-TDDFT modeling of thermal emission by laser-hea…

Time-domain thermoreflectance (TDTR) is a well-established pump/probe method for measuring thermal conductivity and interface conductance of multilayers. Interpreting signals in a TDTR experiment requires a thermal model.In standard…

X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…

Ultrafast laser induced thermionic emission from metal surfaces has several applications. Here, we investigate the role of laser polarization and angle of incidence on the ultrafast thermionic emission process from laser driven gold coated…

We demonstrate the capabilities of time-dependent density functional theory (TDDFT) for strong-field, short wavelength (soft X-ray) physics, as compared to a formalism based on rate equations. We find that TDDFT provides a very good…

Measuring thermal properties of materials is not only of fundamental importance in understanding the transport processes of energy carriers (electrons and phonons) but also of practical interest in developing novel materials with desired…

In this article, we study the thermal light emission from individual fibers of an industrial glass material, which are elementary building blocks of glass wool boards used for thermal insulation. Thermal emission spectra of single fibers of…

We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the…

Robust and non-destructive material classification is a challenging but crucial first-step in numerous vision applications. We propose a physics-guided material classification framework that relies on thermal properties of the object. Our…

Time-dependent density-functional theory (TDDFT) is a computationally efficient first-principles approach for calculating optical spectra in insulators and semiconductors, including excitonic effects. We show how exciton wave functions can…

The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…

Electronic response properties of high-energy density (HED) systems influence planetary structure, drive evolution of fusion targets, and underpin diagnostics in laboratory astrophysics. Real-time time-dependent density functional theory…

Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…

This work combines the principles of the heat spreader method and imaging capability of the thermoreflectance measurements to measure the in-plane thermal conductivity of thin-films without the requirement of film suspension or multiple…

We review different computational methods for the calculation of photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses using time-dependent density-functional theory (TDDFT) that are suitable…

The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of…

We investigate plasmon-assisted photoelectron emission using a one-dimensional time-dependent density-functional theory (TDDFT) model. Photoelectron spectra are computed with the time-dependent surface-flux (t-SURFF) method. In addition to…

Data on thermal absorptivity and emissivity are important for calculations of heat flows in cryogenic devices. Although thermal radiative properties of materials used in cryogenics are measured, published and used for more than sixty years…

Calculating the thermal diffusivity of solid materials is commonly carried out using the laser flash experiment. This classical experiment considers a small (usually thin disc-shaped) sample of the material with parallel front and rear…

A microscopic finite-temperature model based on time-dependent nuclear density functional theory (TDDFT), is employed to study the induced-fission process of $^{226}$Th. The saddle-to-scission dynamics of this process is explored, starting…

Specific heat and linear thermal expansivity are fundamental thermal dynamics and have been proven as interesting relaxing quantities to investigate in glass transition and glassy state. However, their possibility has much less been…