相关论文: Protein Dynamical Transition in Terahertz Dielectr…
The temperature-dependent electronic structures of heavy fermion compound CeB$_{6}$ are investigated thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The band structure,…
Ferroelastic domain walls (DWs) underpin key functionalities in complex oxides. In free-standing ferroic thin films, where elastic interactions are highly thickness dependent, understanding DW behaviour across length scales and external…
Dielectric response has been studied for a new manganocuprate, Gd3Ba2Mn2Cu2O12 (Gd3222) as a function of temperature (100 - 300 K) and frequency (75 kHz to 1 MHz). The dielectric constant (e) exhibits a two step increase (two peaks) in e(T)…
We report the discovery of a very large thermoelectric power over -400 microV K-1 in the whisker crystals of a one-dimensional telluride Ta4SiTe4, while maintaining a low electrical resistivity of rho = 2 mohm cm, yielding a very large…
Three properties of the dielectric relaxation in ultra-pure single crystalline H$_{2}$O ice Ih were probed at temperatures between 80-250 K; the thermally stimulated depolarization current, static electrical conductivity, and dielectric…
Atomic motions and energetics for a phosphate transfer reaction catalyzed by the cAMP-dependent protein kinase (PKA) are calculated by plane-wave density functional theory, starting from structures of proteins crystallized in both the…
Hydrated proteins undergo a transition in the deeply supercooled regime, which is attributed to rapid changes in hydration water and protein structural dynamics. Here, we investigate the nanoscale stress relaxation in hydrated lysozyme…
The authors of paper commented claim that trimethylammonium tetrachlorozincate crystal shows at 282 K the ferroelectric-paraelectric phase transition. But no ferroelectric hysteresis loop was observed below this temperature. Moreover, in…
Using a new semi empirical method for calculating molecular polarizabilities and the Clausius Mossotti relation, we calculated the static dielectric constants of dry proteins for all structures in the protein data bank (PDB). The mean…
We calculate the temperature dependence of the weak localization correction in a two dimensional system at arbitrary relation between temperature, $T$ and the elastic mean free time. We describe the crossover in the dephasing time…
This letter investigates the molecular dynamics of inelastic disks without external forcing. By introducing a new observation frame with a rescaled time, we observe the virtual steady states converted from asymptotic energy dissipation…
Contradictory experiments have been reported about the dimensionality effect on the charge-density-wave transition in 2H NbSe$_2$. While scanning tunnelling experiments on single layers grown by molecular beam epitaxy measure a…
The temperature behaviour in the range 22\degree C to 500\degree C of the dielectric permittivity in the infrared range is investigated for CaF2, BaF2 and Al2O3 through reflectivity measurements. The dielectric permittivity is retrieved by…
The temperature dependence of the steady-state fluorescence spectrum of anthracene crystals range from 300K to 500K had been investigated, which was in the temperature range of most tabletop laser-driven shock wave experiments. The…
The study of protein functions attributed to the conformation and fluctuation that are ruled by both the amino acid sequence and thermodynamics, requires thermodynamic quantities given by calorimetry using thermometric techniques. The…
A joint experimental / theoretical investigation of the elastin-like octapeptide GVG(VPGVG) was carried out. In this paper a comprehensive molecular dynamics study of the temperature dependent folding and unfolding of the octapeptide is…
We report observation of electric-field-driven resistive transition at a characteristic threshold field $E_{th}(T)$ across a temperature range 10-200 K in an off-stoichiometric composite of (~80 vol%) W- and (~20 vol%) Z-type hexaferrites.…
A master equation describing the evolution of averaged molecular state occupancies in molecular systems where alternation of molecular energy levels is caused by discrete dichotomous and trichotomous stochastic fields, is derived. This…
We report the high temperature dielectric and {\it ac} impedance spectroscopy investigation of Nb substituted LaCo$_{0.7}$Nb$_{0.3}$O$_3$ polycrystalline sample. The maximum dielectric constant value was observed $\approx$1400 at around…
Ta$_{2}$S$_{2}$C compound undergoes superconducting transitions at $T_{cl} = 3.60 \pm 0.02$ K and $T_{cu} = 9.0 \pm 0.2$ K. The nature of successive superconducting transitions has been studied from electrical resistivity, linear and…