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2 688 (0,222s) •

Project

Atomistic Simulations of Crack Gowth (IA276104)

9P - 9

  • 1993 - 1994
    • •
  • 0 tis. Kč
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  • 0 tis. Kč
    • •
  • AV ČR
Project

Mesoscopic Modeling of Protein-Surface Interactions (LH12020)

. Mesoscale models of proteins and surfaces will be obtained from atomistic simulations the atomistic to mesoscopic level. The mesoscopic modeling will be complemented simulation results will be compared with exper...

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2015
    • •
  • 2 433 tis. Kč
    • •
  • 2 433 tis. Kč
    • •
  • MŠMT
Project

Crack induced slip processes and stresses in bcc iron (KJB200760802)

], (-110)[110] and corresponding molecular dynamic (MD) simulations in 3D bcc iron geometry as in the experiments. These experimental and atomistic results) and as well stress calculations on the atomistic level will be don...

BM - Fyzika pevných látek a magnetismus

  • 2008 - 2009
    • •
  • 306 tis. Kč
    • •
  • 306 tis. Kč
    • •
  • AV ČR
Project

The role of competitive slip processes in the mechanical response of iron (ME 504)

Atomistic simulations of the brittle-ductile behavior (IT AS CR), accompanied by stress calculations on the atomistic level, want to clarify certain contradictions between atomistic results and continuum prediction...

JL - Únava materiálu a lomová mechanika

  • 2002 - 2004
    • •
  • 1 341 tis. Kč
    • •
  • 203 tis. Kč
    • •
  • MŠMT
Project

Diffusion control reducing friction of nanocomposite materials (GF19-29679L)

to reduce friction coefficient. We propose here atomistic simulation-based design at the surface and their tribological properties will be simulated by a combination of DFT sputtering and the simulation will be ve...

Materials engineering

  • 2019 - 2021
    • •
  • 8 368 tis. Kč
    • •
  • 6 977 tis. Kč
    • •
  • GA ČR
Project

Multiscale theory of surface alloys and inhomogeneities at solid surfaces (GA202/09/0775)

will be used to determine the equilibrium atomistic and magnetic structure of surfaces application: (i) the atomistic and magnetic structure of transitionmetaloverlayers......

BM - Fyzika pevných látek a magnetismus

  • 2009 - 2012
    • •
  • 3 572 tis. Kč
    • •
  • 3 572 tis. Kč
    • •
  • GA ČR
Project

Electron transfer on electrified heterogeneous interfaces with redox metalloproteins (GJ20-02067Y)

/protein interfaces. However, atomistic and electronic structure of these interfaces of this project is to design computer-simulation-based methodology able to explain relations among atomistic structure of the interfaces, ...

Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

  • 2020 - 2023
    • •
  • 7 057 tis. Kč
    • •
  • 7 057 tis. Kč
    • •
  • GA ČR
Project

Combination of atomistic and higher-order elasticity approaches in fracture nanomechanics (GA17-18566S)

and a verification of validity of its value determined by atomistic approaches in the frame...

JL - Únava materiálu a lomová mechanika

  • 2017 - 2019
    • •
  • 6 037 tis. Kč
    • •
  • 5 975 tis. Kč
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  • GA ČR
Project

Harnessing size effects for optimization of design and physical properties of nanostructured materials (NANOMAQ) (LUC24093)

of reconstructed surfaces at the nanoscale, based on both atomistic simulations and advancedNanomaterials provide unique functionalities that result from their high surface-to-volume ratio. Existing theoretical models and atomi...

Materials engineering

  • 2024 - 2026
    • •
  • 5 831 tis. Kč
    • •
  • 5 831 tis. Kč
    • •
  • MŠMT
Project

Coarse-grained modeling of polymers (GP203/04/P117)

by computer simulations. The models should eliminate the solvent degrees of freedom (the generalized Langevin equation) so that computer simulations can be performed for considerably longer times than for molecular dynamics with

CD - Makromolekulární chemie

  • 2004 - 2006
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  • 554 tis. Kč
    • •
  • 554 tis. Kč
    • •
  • GA ČR
  • 1 - 10 out of 2 688