Related papers: Lattice Dynamics and Thermal Equation of State of …
Heat capacity measurements of the delta-phase stabilized alloy Pu-Al suggest that strong electron-phonon coupling is required to explain the moderate renormalization of the electronic density of states near the Fermi energy. We calculate…
A new approach to study the equation of state in finite-temperature QCD is proposed on the lattice. Unlike the conventional method in which the temporal lattice size $N_t$ is fixed, the temperature $T$ is varied by changing $N_t$ at fixed…
We present a 5-phase equation of state (EOS) for elemental carbon. The phases considered are: diamond, BC8, simple-cubic, simple-hexagonal, and the liquid/plasma state. The solid phase free energies are constrained by density functional…
The high-pressure melting curves of metals provide simple and useful tests for theories of melting, as well as important constraints for the modeling of planetary interiors. Here, we present an experimental technique that reveals the latent…
We have developed a thorough and accurate method of determining anharmonic free energies, the temperature dependent effective potential technique (TDEP). It is based on \emph{ab initio} molecular dynamics followed by a mapping onto a model…
We investigate the lattice dynamics and thermodynamics of nonmagnetic bcc vanadium as a function of temperature and pressure, using the first principles linear response linear-muffin-tin-orbital method. The calculated phonon density of…
We present preliminary results towards a fully non-perturbative determination of the equation of state of QCD at very high-temperatures, $T\approx 3-80\,{\rm GeV}$. The key ingredient is the lattice formulation of QCD in a moving reference…
We propose a fixed scale approach to calculate the equation of state (EOS) in lattice QCD. In this approach, the temperature T is varied by Nt at fixed lattice spacings. This enables us to reduce T=0 simulations which are required to…
The lattice parameters, lattice stability and phonon dispersion curves of five proposed phases of Ti: alpha, beta, gamma, delta and omega are investigated within DFT. It is found that the sequence of high pressure phases at zero temperature…
We provide a status report on the calculation of the Equation of State (EoS) of QCD at finite temperature using lattice QCD. Most of the discussion will focus on comparison of recent results obtained by the HotQCD and Wuppertal-Budapest…
The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and experimental investigation leveraging new theoretical and…
Using the two-temperature model for ultrafast matter (UFM), we compare the equation of state, pair-distribution functions $g(r)$, and phonons using the neutral pseudoatom (NPA) model with results from density-functional theory (DFT) codes…
Electron transport in electric-field-driven tight-binding lattice coupled to fermion baths is comprehensively studied. We reformulate the problem by using the scattering state method within the Coulomb gauge. Calculations show that the…
The electron-phonon coupling strength in single-wall carbon nanotube (SWNT) bundles has been studied directly in the time-domain by femtosecond time-resolved photoelectron spectroscopy. We have measured the dependence of H(T_e,T_l), the…
Using previous results and general thermodynamical formalism,an expression is obtained for the specific heat per particle under constant volume of a degenerate non-relativistic electron gas on a 1D lattice.The result is a non-linear…
Thermal resonance, in which the temperature amplitude attains a maximum value (peak) in response to an external exciting frequency source, is a phenomenon pertinent to the presence of underdamped thermal oscillations and explicit…
We compute the phonon dispersion, density of states, and the Gr\"uneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory (DMFT). We find good agreement with experimental results…
We investigate the phase structure and the equation of state (EoS) for dense two-color QCD (QC$_2$D) at low temperature ($T = 40$ MeV, $32^4$ lattice) for the purpose of extending our previous works~\cite{Iida:2019rah, Iida:2022hyy} at…
We compute the lattice-dynamical and thermal equation of state properties of ferromagnetic bcc iron using the first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. The calculated phonon…
Within the framework of density functional theory (DFT), the total energy of crystal structures is calculated at zero temperature. Herein, we briefly discuss the DFT-based lattice-dynamics approach for computing crystal free energy, the…