We test the theoretical free energy surface (FES) for two-step nucleation (TSN) proposed by Iwamatsu [J. Chem. Phys. 134, 164508 (2011)] comparing predictions of theory to numerical results FES recently reported from Monte Carlo simulations TSN in a simple lattice system [James, et al., J. 150, 074501 (2019)]. No adjustable parameters are used make this comparison. That is, all evaluated direct...

We present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simulation of a bent slab by using a generalized stress theorem formula, and subsequent integration of the stress with respect to strain as a function of

The free energy of steps of monatomic height is one of the most important energetic parameters in the physics of crystalline solids. It controls the size of facets in the equilibrium shape of crystals and the curvature of rough surfaces [1]. It is likewise an important parameter in the stability of vicinal surfaces against step bunching transitions [2,3] and transitions involving a reconstructi...

Applying a numerical transfer-matrix formalism, we obtain complex-valued constrained free energies for the two-dimensional square-lattice nearest-neighbor Ising ferromagnet below its critical temperature and in an external magnetic field. In particular, we study the imaginary part of the constrained free-energy branch that corresponds to the metastable phase. Although droplets are not introduce...

We present a detailed analysis of the free energy surface of a well characterized rigid model for water in supercooled states. We propose a functional form for the liquid free energy, supported by recent theoretical predictions [Y. Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998)], and use it to locate the position of a liquid-liquid critical point at T(C')=130+/-5 K, P(C')=290+/-30 MPa, an...

Microarray techniques use a combinatorial approach to assess complex biochemical interactions. The fundamental goal is simultaneous, large-scale experimentation analogous to the automation achieved in the semiconductor industry. However, microarray deposition inherently involves liquids contacting solid substrates. Liquid droplet shapes are determined by surface and interfacial tension forces, ...

-The adsorption of n-octane and water vapor on natural kaolinite was measured. From adsorption isotherms film pressures were determined which were then used to calculate the dispersion and nondispersion components of the kaolinite surface free energy. In addition, thermodesorption of water from the kaolinite surface was determined. These results suggest that physically adsorbed water remained o...