Related papers: Lattice Dynamics and Thermal Equation of State of …
Recent results of lattice QCD at finite temperature and density are reviewed. At vanishing density the transition temperature, the equation of state and hadron properties are discussed both for the pure gauge theory and for dynamical…
The high-pressure and high-temperature thermodynamic properties of iridium are studied using density functional theory in combination with the quasi-harmonic approximation, where both the contributions to the free energy of phonons and of…
A simple model based on atom-atom potential has been used to calculate various bulk, structural and thermodynamic properties of pure C_{60} solid by including implicit anharmonicity. The pressure and temperature dependent properties such as…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
Intensive search for a proper and realistic equations of state (EOS) is still continued for studying the phase diagram existing between quark gluon plasma (QGP) and hadron gas (HG) phases. Lattice calculations provide such EOS for the…
The intermolecular lattice vibrations in small-molecule organic semiconductors have a strong impact on their functional properties. Existing models treat the lattice vibrations within the harmonic approximation. In this work, we use…
The martensitic {\alpha} --> {\omega} transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of…
We report the lattice dynamics of transition metal thin films by using the ultrafast electron diffraction. We observe a suppression of the diffraction intensity in a few picosecond after the photoexcitation, which is directly interpreted as…
In crystalline materials, low lattice thermal conductivity is often associated with strong anharmonicity, which can cause significant deviations from the expected Lorentzian lineshape of phonon spectral functions. These deviations,…
We present a nonperturbative computation of the equation of state of polarized, attractively interacting, nonrelativistic fermions in one spatial dimension at finite temperature. We show results for the density, spin magnetization, magnetic…
On the basis of the extended classical elasticity theory, we propose universal semi-empirical analytical expressions for the energy and the equation of state for poly-crystalline solids. The validation of the relations has been made by…
We investigate the interaction dependence of the liquid-gas critical point of symmetric nuclear matter in finite-temperature lattice effective field theory. Building on the pinhole-trace algorithm, we benchmark a first-order perturbative…
Quantised sound waves -- phonons -- govern the elastic response of crystalline materials, and also play an integral part in determining their thermodynamic properties and electrical response (e.g., by binding electrons into superconducting…
A simple method for determining the thermal component of the EOS of solids under high pressure is proposed.Application to the interior of the Earth gives results in agreement with recent geophysical data.
Lattice thermal conductivity ($\kappa_{\rm L}$) is a crucial characteristic of crystalline solids with significant implications for practical applications. While the higher order of anharmonicity of phonon gas model is commonly used for…
The temperature dependence of the surface plasmon resonance in small metal spheres is calculated using an electron gas model within the Random Phase Approximation. The calculation is mainly devoted to the study of spheres with diameters up…
A self-consistent thermodynamic model of metallic system is presented. The expression for the Gibbs energy is derived, which incorporates elastic (static) energy, vibrational energy within the Debye model, and electronic part in Hartee-Fock…
The structural property of liquid cesium is investigated in the temperature range 900 K to 1900 K by application of semiempirical effective Lennard-Jones (8.5-4) pair potential function and employing Gillan s algorithm to solve…
The notion of longitudinal effective temperature and its relation with the Edwards compactivity are investigated in an abstract lattice gas model of granular material compacting under gravity and weak thermal vibration.
In this paper we derive an analytic approximation to the density of states for atoms in a combined optical lattice and harmonic trap potential as used in current experiments with quantum degenerate gases. We compare this analytic density of…