A priori knowledge of physicochemical properties such as melting and boiling could expedite materials discovery. However, theoretical modeling from first principles poses a challenge for efficient virtual screening potential candidates. As an alternative, the tools data science are becoming increasingly important exploring chemical datasets predicting material properties. Herein, we extend mole...

Grazing incidence small angle X-ray scattering (GISAXS) measurements reveal that superlattices of 1.7 nm diameter, gold (Au) nanocrystals capped with octadecanethiol become significantly more ordered when heated to moderate temperatures (50-60 °C). This enhancement in order is reversible and the superlattice returns to its initially disordered structure when cooled back to room temperature. Dis...

In this talk we present results on the chiral and the deconfinement transition of quenched QCD from Dyson-Schwinger equations. We determine the ordinary quark condensate signaling the chiral transition and the dual quark condensate signaling the deconfinement transition from the Landau gauge quark propagator evaluated at generalized boundary conditions. We find only slightly different transitio...

Thermodynamics of the thermal dissociation transitions of 10 bp PNA/DNA duplexes and their corresponding DNA/DNA duplexes in 10 mM sodium phosphate buffer (pH 7.0) were determined from differential scanning calorimetry (DSC) measurements. The PNA/DNA transition temperatures ranged from 329 to 343 K and the calorimetric transition enthalpies ranged from 209 +/- 6 to 283 +/- 37 kJ mol(-1). The co...

Thermomechanical analysis (TMA) measures the mechanical response of a material as it is programmed linearly through a selected temperature range.' The techniques used in TMA include linear expansion, volumetric expansion, tensile elongation, torsional modulus, and penetration. Comparison of TMA penetration curves with curves of transition temperatures obtained from differential thermal analysis...

in this paper, we calculate theoretically the relaxation rates of hot, thermal and antinodal quasiparticles by using fermi’s golden rule. the transition probabilities at low temperatures express in terms of bogoliubov coefficients, singlet and triplet scattering amplitudes and dimensionless landau parameters. the values of landau parameters may be determined by comparison with the experimental ...

Temperatures in the high pressure shock state have been determined by measurement of optical radiation from pure samples of forsteritc (Mg2 SiOn), a-quartz, and fused silica. Shock waves of known amplitude were produced by tantalum flyer impact using a two-stage light gas gun. Shock pressures in the ranges 150-175 GPa and 70-115 GPa for Mg: SiOn and SiO2 respectively were achieved, and temperat...