User:Garamond Lethe/sandbox/Mesoscale Modeling Software


 * Mesoscopic: Pertaining to a size regime, intermediate between the microscopic and the macroscopic, that is characteristic of a region where a large number of particles can interact in a quantum-mechanically correlated fashion.


 * Mesoscopic Physics: A subdiscipline of codensed-matter physics that focuses on the properties of solids in a size range intermediate between [sic] bulk matter and individual atoms or molecules.


 * Engineering of novel energetic materials requires a thorough understanding of the phenomena that control chemistry, processing, structure, and performance over multiple length and time scales. While atomistic methods are typically limited in time and length scale, and continuum approaches tend to break down at microstructural scales, mesoscale modeling approaches are critical in bridging the gap between the modeling scales. This document serves as an overview of the current state-of-the-art mesoscale modeling software for energetic materials research that is available through commercial or general public licensing.


 * Soft materials, such as polymers, melts, blends, surfactants, complex fluids and biological material applications: It is important to understand the structure, molecular arrangement, self-assembly, rheology, phase morphology, and phase behavior of these materials. Some extensive reviews are available on multiscale modeling of soft materials (4 ,75 ).


 * Materials science applications: Materials properties can evolve over longer length and time scales. Software capabilities are desired for such features as materials microstructure, the long range effects of voids and defects, grain boundary migration, crack propagation, and dislocation dynamics. Some extensive reviews, lectures and workshops are available on multiscale modeling of materials applications (76-78  ).


 * Multi-phase mixtures of materials: Processing of materials requires an understanding of how polycrystalline materials interact with polymer binders. Mesoscale modeling capabilities are needed to handle mixed and multiphase solids.

Accelrys

 * Amorphous Cell
 * Discussed
 * Datasheet
 * techniques:
 * users:


 * MesoDyn (1-6)
 * Discussed
 * Datasheet
 * techniques
 * users


 * Mesocite (7-12)
 * MesoProp (13-19)
 * Mesoteck (20-21)
 * OCTA (22)
 * ESPResSo (23-24)
 * Q-DPD (25-28)
 * Fluidix (29-32)
 * LAMMPS (33-41)
 * Digital Material Software (42-49)
 * Quasicontinuum (50-68)
 * ParaDiS (69-70)
 * microMegas (mM) (71)
 * PARANOID (72)
 * Peierls-Nabarro Model
 * MAAD
 * CGMD (Rudd)
 * Accelerated molecular dynamics techniques
 * ADESH
 * ParaDyn, Warp, GranFlow
 * DPDmacs (73)
 * Mesoscopic Modeling (74)