209 citations
- Universidade Federal de PernambucoBR21 papers
- Universidade Federal de Santa MariaBR16 papers
- University of Maryland, College ParkUS9 papers
- University of CalgaryCA8 papers
- University of California San DiegoUS7 papers
- Brookhaven National LaboratoryUS6 papers
- Kent State UniversityUS6 papers
- Laboratoire d'Informatique en Images et Systèmes d'InformationFR6 papers
- University of MinnesotaUS6 papers
- Institut National des Sciences Appliquées de LyonFR5 papers
- Pennsylvania State UniversityUS5 papers
- Russian Academy of SciencesRU5 papers
12 papers · 1 filter
A Discrete-to-Continuum Model of Weakly Interacting Incommensurate Two-Dimensional Lattices: The hexagonal case
Malena I. Espanol, Dmitry Golovaty, J. Patrick Wilber
In this paper, we extend the discrete-to-continuum procedure we developed in our previous work to derive a continuum variational model for a hexagonal twisted bilayer material in w…
A Discrete-to-Continuum Model of Weakly Interacting Incommensurate Two-Dimensional Lattices
Malena I. Español, Dmitry Golovaty, J. Patrick Wilber
In this paper we propose a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The two lattices have sli…
A Discrete-to-Continuum Model of Weakly Interacting Incommensurate Chains
Malena Español, Dmitry Golovaty, J. Patrick Wilber
In this paper we use a formal discrete-to-continuum procedure to derive a continuum variational model for two chains of atoms with slightly incommensurate lattices. The chains repr…
Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces
Tzu-Jen, Hendrik Heinz
Mineralization of bone and teeth involves interactions between biomolecules and hydroxyapatite. Associated complex interfaces and processes remain difficult to analyze at the 1 to…
Three-dimensional coordinates of individual atoms in materials revealed by electron tomography
Rui Xu, Chien-Chun Chen, Li Wu +11
Crystallography, the primary method for determining the three-dimensional (3D) atomic positions in crystals, has been fundamental to the development of many fields of science. Howe…
Numerical analysis of the vertex models for simulating grain boundary networks
Claudio Torres, Maria Emelianenko, Dmitry Golovaty +2
Polycrystalline materials undergoing coarsening can be represented as evolving networks of grain boundaries, whose statistical characteristics determine macroscopic materials prope…