We report first principles calculations of the melting curve and principal Hugoniot (P − V curve) of body centered cubic (bcc) tantalum in the pressure range 0-300 GPa. A description of lattice dynamics and thermal properties of bcc Ta using finite temperature density functional theory (DFT) is presented. The approach works within the projector augmented wave (PAW) implementation of DFT and exp...

Limited antibacterial activity of silver ions leached from silver-impregnated food contact materials could be due to: 1) the presence of silver resistance genes in tested bacteria; or 2) lack of susceptibility to silver ion-mediated killing in the bacterial strain (K. Williams, L. Valencia, K. Gokulan, R. Trbojevich, S. Khare, 2016 [1]). This study contains data to address the specificity of si...

The exact Hill's treatment of the Ising model describing DNA has been developed to make it applicable to the study of environment-coupled instabilities in DNA. Thermodynamic properties of DNA close to a co-operative order-disorder melting point have been investigated in terms of the developed Ising model. Assuming a weak coupling between the environment and Watson-Crick hydrogen bonds in DNA, i...