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It has been observed in both natural and man-made materials that volume sometimes decreases with increasing temperature. Though mechanistic understanding has been gained for some individual materials, a general answer to the question "Why…
Due to the strong lattice-property relationships which exist in complex oxide epitaxial layers, their electronic and magnetic properties can be modulated by structural distortions induced at the atomic scale. The modification and control…
Inspired by some recent experiments and numerical works related to nanoresonators, we perform classical molecular dynamics simulations to investigate the thermal expansion and the ability of the device to act as a strain sensor assisted by…
The lattice thermal conductivity ($\kappa$) of two ceramic materials, cerium dioxide (CeO$_2$) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon Boltzmann Transport Equation (PBTE) and compared to…
Catastrophic failure of materials and structures due to unstable crack growth could be prevented if facture toughness could be enhanced at will through structural design, but how can this be possible if fracture toughness is a material…
We study the influence of thermal fluctuations on the fracture of elastic networks, via simulations of the uniaxial extension of central-force spring networks with varying rigidity, i.e. connectivity. Studying their failure response, both…
Neutron scattering measurements on a large single crystal of CuGeO$_3$ have been used to determine the temperature-dependence of the spin-Peierls energy gap. While the power law behavior of the intensity of structural superlattice peaks is…
The change in the lattice parameters or the lattice disorder is claimed as a cause of the slight reduction in the transition temperature by carbon doping in MgB2. In this work, an extensive investigation on the effects of carbohydrate…
Temperature dependent electrical resistivity, crystal structure and heat capacity measurements reveal a resistivity drop and metal to semiconductor transition corresponding to first order structural phase transition near 400 K in Ca3Co4O9.…
We study equilibrium properties of a system of particles in two dimensions, interacting with pair and three body potentials, which undergoes a structural transition from a square to a rhombic lattice and thus constitutes a simple model for…
Thermal boundary resistance is a critical quantity that controls heat transfer at the nanoscale, which is primarily related to interfacial phonon scattering. Here, we combine lattice dynamics calculations and inputs from first principles ab…
Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature range. While most…
We report physical and structural properties of single-crystal Ca2Ru1-xFexO4 (0<x<0.20) as functions of temperature, magnetic field and pressure. Ca2RuO4 is a structurally-driven Mott insulator with a metal-insulator (MI) transition at TMI…
A simple systematic rule, inspired by high-temperature series expansion (HTSE) results, is proposed for optimizing the expression for thermodynamic observables of ferromagnets exhibiting critical behavior at $\Tc$. This ``extended scaling''…
Using a microscopic approach, we revisit the problem of superconducting critical temperature change in the presence of twin boundaries. We show that both critical temperature enhancement and suppression can come purely from geometric…
Scandium fluoride (ScF3) belongs to a class of negative thermal expansion (NTE) materials. It shows a strong lattice contraction up to about 1000 K switching to expansion at higher temperatures. Here the NTE effect in ScF3 is studied in the…
Evaluating a lattice path integral in terms of spectral data and matrix elements pertaining to a suitably defined quantum transfer matrix, we derive form-factor series expansions for the dynamical two-point functions of arbitrary local…
We study mechanism of magnetic energy transport, motivated by recent measurements of the thermal conductivity in low dimensional quantum magnets. We point out a possible mechanism of enhancement of the thermal conductivity in gapped…
Effects of columnar defects created by 320 MeV Au irradiation on 2H-NbSe2 single crystals with a dose equivalent matching field up to 16 T were studied. Critical temperature is found to be suppressed almost linearly at a rate of 0.07 K/T.…
We have performed thermal expansion and compressibility measurements on the recently discovered superconducting material NaxCoO2*4xD2O (x=1/3) using neutron powder diffraction over the temperature range 10-295 K and the pressure range 0-0.6…