28 citations · 111 across the 11 of their papers we have counts for
11 papers
The Uhlenbeck-Ford model in two dimensions: Reference system for fluid-phase free-energy calculations
Samuel Cajahuaringa, Rodolfo Paula Leite, Maurice de Koning
We investigate the Uhlenbeck-Ford (UF) model as a reference system for free-energy calculations in two-dimensional (2D) fluids. The 2D virial coefficients are computed exactly up t…
Reply to "Comment on Absence of off-diagonal long-range order in hcp He dislocation cores"
Maurice de Koning, Wei Cai, Claudio Cazorla +1
We offer a Reply to Document arXiv:2303.12174 by M. Boninsegni et al., commenting on arXiv:2301.02854 .
Absence of off-diagonal long-range order in hcp He dislocation cores
Maurice de Koning, Wei Cai, Claudio Cazorla +1
The mass transport properties along dislocation cores in hcp He are revisited by considering two types of edge dislocations as well as a screw dislocation, using a fully correl…
The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations
Rodolfo Paula Leite, Rodrigo Freitas, Rodolfo Azevedo +1
The Uhlenbeck-Ford (UF) model was originally proposed for the theoretical study of imperfect gases, given that all its virial coefficients can be evaluated exactly, in principle. H…
Global exploration of phase behavior in frustrated Ising models using unsupervised learning techniques
Danilo Rodrigues de Assis Elias, Enzo Granato, Maurice de Koning
We apply a set of machine-learning (ML) techniques for the global exploration of the phase diagrams of two frustrated 2D Ising models with competing interactions. Based on raw Mont…
Elastic constants of hcp He: Path-integral Monte Carlo results versus experiment
Luis Aldemar Peña Ardila, Silvio A. Vitiello, Maurice de Koning
The elastic constants of hcp He are computed using the path-integral Monte Carlo (PIMC) method. The stiffness coefficients are obtained by imposing different distortions to a…
Revisiting Dynamics Near a Liquid-Liquid Phase Transition in Si and Ga: The Fragile-to-Strong Transition
Samuel Cajahuaringa, Maurice de Koning, Alex Antonelli
Using molecular dynamics simulations we analyze the dynamics of two atomic liquids that display a liquid-liquid phase transition (LLPT): Si described by the Stillinger-Weber potent…
Elastic constants and supersolidity in solid hcp 4He
Renato Pessoa, M. de Koning, S. A. Vitiello
The elastic constants of solid \textit{hcp} He are investigated in molar volumes ranging from about melting up to approximately 14 MPa. Properties of interest are determined by…
Dislocation Mobility in a Quantum Crystal: the Case of Solid 4He
Renato Pessoa, S. A. Vitiello, Maurice de Koning
We investigate the structure and mobility of dislocations in hcp 4He crystals. In addition to fully characterizing the five elastic constants of this system, we obtain direct insig…
Zero-point Divacancy Concentration in the Shadow Wave-Function Model for Solid 4He
R. Pessoa, M. de Koning, S. A. Vitiello
We address the issue of interaction between zero-point vacancies in solid 4He as described within the shadow wave-function model. Applying the reversible-work method and taking int…
Finite temperature molecular dynamics study of unstable stacking fault free energies in silicon
M. de Koning, A. Antonelli, Martin Z. Bazant +2
We calculate the free energies of unstable stacking fault (USF) configurations on the glide and shuffle slip planes in silicon as a function of temperature, using the recently deve…