8 citations · 20 across the 6 of their papers we have counts for
6 papers
Freezing of the tetrahedral amorphous network in supercooled water triggers crystallization towards LDA ice
Ashutosh Srivastava, Pankaj A. Apte
In this work, we provide mechanistic insight into the initial stages of formation of ice across the limit of stability of supercooled water. Such an analysis is particularly import…
Dynamical instability causes the demise of a supercooled tetrahedral liquid
Arvind Kumar Gautam, Nandlal Pingua, Aashish Goyal +1
We investigate the relaxation mechanism of a supercooled tetrahedral liquid at its limit of stability using isothermal isobaric () Monte Carlo (MC) simulations. In similarity…
The freezing tendency towards 4-coordinated amorphous network causes increase in heat capacity of supercooled Stillinger-Weber silicon
Pankaj A. Apte, Nandlal Pingua, Arvind Kumar Gautam +4
The supercooled liquid silicon, modeled by Stillinger-Weber potential, shows anomalous increase in heat capacity , with a maximum value close to 1060 K at zero pressure.…
Nonmonotonic dependence of the absolute entropy on temperature in supercooled Stillinger-Weber silicon
Pankaj A. Apte, Arvind K. Gautam
Using a recently developed thermodynamic integration method, we compute the precise values of the excess Gibbs free energy (G^e) of the high density liquid (HDL) phase with respect…
Evidence for coincidence of Kauzmann temperature and liquid-liquid transition temperature in supercooled silicon
Pankaj A. Apte, Arvind K. Gautam, Amol M. Patil
The paper is withdrawn.
Efficient computation of free energy of crystal phases due to external potentials by error-biased Bennett acceptance ratio method
Pankaj A. Apte
Free energy of crystal phases is commonly evaluated by thermodynamic integration (TDI) along a reversible path that involves an external potential. A persistent problem in this met…