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Recent developments dedicated to the building of multiscale mechanical and chemical constitutive laws for energetic molecular crystals are presented and discussed. In particular, various tools have been specifically incorporated in…

Mesoscale and Nanoscale Physics · Physics 2025-08-05 Paul Lafourcade , Nicolas Bruzy , Paul Bouteiller , Jean-Bernard Maillet , Christophe Denoual

We investigate the thermal responses of a harmonic oscillator chain coupled at its boundaries to heat baths held at different temperatures. This setup sustains a steady energy flux, continuously dissipating heat into both reservoirs. By…

Statistical Mechanics · Physics 2026-04-16 Michiel Gautama , Faezeh Khodabandehlou , Christian Maes , Ion Santra

We derive expressions for the universal contribution to the specific heat of a three-dimensional metal near a zero-temperature phase transition with dynamic exponent $z=2,3$, or 4. The results allow a quantitative comparison of theory to…

Condensed Matter · Physics 2009-10-22 U. Zuelicke , A. J. Millis

The specific heat of liquid helium was calculated theoretically in the Landau theory. The results deviate from experimental data in the temperature region of 1.3 - 2.1 K. Many theorists subsequently improved the results of the Landau theory…

Other Condensed Matter · Physics 2009-11-13 Shosuke Sasaki

An analytical model of high frequency oscillations of the kinetic and potential energies in a one-dimensional harmonic crystal with a substrate potential is obtained by introducing the nonlocal energies [1]. A generalization of the kinetic…

Statistical Mechanics · Physics 2018-02-07 Mikhail B. Babenkov , Anton M. Krivtsov , Denis V. Tsvetkov

We consider unsteady heat transfer in a one-dimensional harmonic crystal surrounded by a viscous environment and subjected to an external heat supply. The basic equations for the crystal particles are stated in the form of a system of…

Statistical Mechanics · Physics 2022-10-31 Serge N. Gavrilov , Anton M. Krivtsov , Denis V. Tsvetkov

Ferromagnetic solids acquire nontrivial magnetic and caloric properties when the temperature of the structural phase transition approaches the Curie point. Deciphering magneto-structural transitions, i.e. determining their characteristic…

Considering high-temperature heating, the equations of transient heat conduction model require an adaptation, i.e. the dependence of thermophysical parameters of the model on the temperature is to be identified for each specific material to…

Systems and Control · Electrical Eng. & Systems 2022-07-04 Zhukov Petr , Glushchenko Anton , Fomin Andrey

The nonequilibrium phase transition has been studied by Monte Carlo simulation in a ferromagnetically interacting (nearest neighbour) kinetic Ising model in presence of a sinusoidally oscillating magnetic field. The ('specific-heat')…

Condensed Matter · Physics 2015-06-25 Muktish Acharyya

The heat capacity of solids at intermediate-to-high temperatures is of fundamental importance to several fields ranging from geology to material science. It depends on a variety of factors, with anharmonicity and, ultimately, melting…

Materials Science · Physics 2025-08-22 Valmir Ribeiro , Fernando Parisio

Precise specific heat of barium titanate single crystals of different quality has been measured with special attention to the temperature region above the ferroelectric phase transition. It is shown that excess specific heat of the…

Materials Science · Physics 2013-04-19 S. V. Grabovsky , I. V. Shnaidshtein , M. Takesada , A. Onodera , B. A. Strukov

A Hamiltonian dynamics is defined for the XY model by adding a kinetic energy term. Thermodynamical properties (total energy, magnetization, vorticity) derived from microcanonical simulations of this model are found to be in agreement with…

Statistical Mechanics · Physics 2014-10-13 Xavier Leoncini , Alberto D. Verga , Stefano Ruffo

We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…

Materials Science · Physics 2010-10-13 Dafang Li , Ping Zhang , Jun Yan

The specific heat and thermodynamics of ${\rm Fe}_2{\rm P}$ single-crystals around the first order paramagnetic (PM) to ferromagnetic (FM) phase transition at $T_{\rm C} = 217 \,{\rm K}$ are empirically investigated. The magnitude and…

Materials Science · Physics 2014-11-11 M. Hudl , D. Campanini , L. Caron , V. Höglin , M. Sahlberg , P. Nordblad , A. Rydh

Calorimetry for equilibrium systems aims to determine the available microscopic occupation and distribution of energy levels by measuring thermal response. Nonequilibrium versions are expected to add information on the dynamical…

Statistical Mechanics · Physics 2023-11-27 Pritha Dolai , Christian Maes

We present the results of a study of specific heat on a single crystal of Pr$_{0.63}$Ca$_{0.37}$MnO$_3$ performed over a temperature range 3K-300K in presence of 0 and 8T magnetic fields. An estimate of the entropy and latent heat in a…

Strongly Correlated Electrons · Physics 2009-11-07 A. K. Raychaudhuri , Ayan Guha , I. Das , R. Rawat , C. N. R. Rao

We investigate the effect of a single heat treatment cycle on the potential energy states and mechanical properties of metallic glasses using molecular dynamics simulations. We consider the three-dimensional binary mixture, which was…

Soft Condensed Matter · Physics 2019-06-14 Nikolai V. Priezjev

A theory for the nonlinear energy response of a system subjected to a heat bath is developed when the temperature of the heat bath is modulated sinusoidally. The theory is applied to a model glass forming system, where the landscape is…

Statistical Mechanics · Physics 2009-11-13 Fumitaka Tagawa , Takashi Odagaki

Aiming to settle the controversial observations for halogen-bridged binuclear transition-metal (MMX) complexes, finite-temperature Hartree-Fock calculations are performed for a relevant two-band Peierls-Hubbard model. Thermal, as well as…

Strongly Correlated Electrons · Physics 2009-11-07 Shoji Yamamoto

Specific heat measurements constitute one of the most powerful experimental methods to probe fundamental excitations in solids. After the proposition of Einstein's model, more than one century ago (Annalen der Physik \textbf{22}, 180…

Materials Science · Physics 2016-02-25 Mariano de Souza , Ricardo Paupitz , Antonio Seridonio , Roberto E. Lagos