Intellectual property
Database
D71
- Database for full atom MD force field
- Database for coarse grained MD force field
- Database for model sample properties
D75
- All-atom force field parameter database (jointly developed by D71)
- Coarse-grained force field parameter database (jointly developed by D71)
- Curing reaction intermediate database
- Curing reaction activation energy database
- Curing reaction formation energy database
Module
D71
- Modules for MD free-volume analysis
- Modules for deep learning
1) Fast simulation code for entangled polymer dynamics NAPLES
1-1) Modules for inter-molecular correlations
1-2) Modules for H-branched polymers
1-3) Modules for multi-step deformations
1-4) Modules for gelations
1-5) Modules for semi-flexible polymers
1-6) Modules for nano-fibers
2) Fast and generic code for polymer dynamics MCSS
2-1) Modules for flow calculations
2-2) Modules for polymer solutions
2-3) Modules for branched polymers
2-4) Modules for inter-chain cross-correlations
2-5) Modules for solid nano-particles
D72
- PD image analysis module in HomCloud software
- ordered-domain discovery module
- inhomogeneity analysis module
- 2D phase field crack growth (2D-PFCG) module
- 2D viscoelastic phase field crack growth (2D-VPFCG) module (Maxwell-type)
- 2D viscoelastic phase field crack growth (2D-VPFCG) module (Zener-type)
- Topological data analysis module for molecular dynamics simulation
D74
- Module for identification (P) of basic material properties
- Module for computation (P) of high-cycle fatigue
- Module for analysis (P) of elementary cyclic loading
- Module for computation (P) of basic behavior of CFRP
- Module for homogenization computation (P) of behavior of CFRP
- Module for identification (N) of basic material properties
- Module for computation (N) of dependencies of strain rate and temperature
- Module for analysis (N) of elementary cyclic loading
- Module for homogenization computation (N) of composite materials
Remarks:
(P) Module based on molecular chain plasticity model
(N) Module based on molecular chain network model
D75
- MD calculation-assist module
- LJ parameter tuning module
- Coarse-graining model parametrization module
- Angular coordinate statistics module
- Minimum energy path analysis-asist module
- Reaction judgement module for curing process simulation
- Unreacted group processing module (post processing for curing process simulation.)