PN 3

SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"

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11 to 20 of 793 Results

100APBE.dat Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Fixed Field Text Data - 11.5 KB - MD5: 92b1a1a78f1e351e1efcfb8d2309b898 Gibbs energy for the antiphase boundary in the (100) plane
111APBE.dat Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Fixed Field Text Data - 11.5 KB - MD5: 51d3293ee858aaa402e050553509baa0 Gibbs energy for the antiphase boundary in the (111) plane
2delta-KWL-lammps.data Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Unknown - 198.8 MB - MD5: aa45860c7a894ea16585579865e1b804 This is the atomistic structure of 2delta-KWL, which can be directly used in LAMMPS calculations.
CSFE.dat Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Fixed Field Text Data - 11.5 KB - MD5: a1b5fbc39ac14c10fcb0ad8fae9d5851 Gibbs energy for the complex stacking fault
Ni3Al.mtp Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Unknown - 6.0 KB - MD5: e03223837c3f56322142114786f325d7 The obtained MTP
SIFE.dat Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Fixed Field Text Data - 11.5 KB - MD5: b7c1d6af0bdf59ef39698d7694851e57 Gibbs energy for the superlattice intrinsic stacking fault
train.cfg Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Unknown - 14.0 MB - MD5: eca88cae9ad4e5f43ac71015bc7d045e The DFT dataset for training the MTP for Ni3Al
Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials Apr 23, 2024 - Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST) Schlaich, Alexander, 2024, "Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", https://doi.org/10.18419/DARUS-3966, DaRUS, V1 Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHERM), and run the equilibrium and non-equilibrium MD simulations, respec...
av_charge.py Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials Python Source Code - 378 B - MD5: a085f53b301feda9103fb75d599fb944
av_msds.py Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials Python Source Code - 1.7 KB - MD5: 71f6199f78cb5c6247e97f56aa515404

100APBE.dat

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Fixed Field Text Data - 11.5 KB -

Gibbs energy for the antiphase boundary in the (100) plane

111APBE.dat

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Fixed Field Text Data - 11.5 KB -

Gibbs energy for the antiphase boundary in the (111) plane

2delta-KWL-lammps.data

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Unknown - 198.8 MB -

This is the atomistic structure of 2delta-KWL, which can be directly used in LAMMPS calculations.

CSFE.dat

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Fixed Field Text Data - 11.5 KB -

Gibbs energy for the complex stacking fault

Ni3Al.mtp

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Unknown - 6.0 KB -

The obtained MTP

SIFE.dat

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Fixed Field Text Data - 11.5 KB -

Gibbs energy for the superlattice intrinsic stacking fault

train.cfg

Oct 8, 2024 - Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Unknown - 14.0 MB -

The DFT dataset for training the MTP for Ni3Al

Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

Apr 23, 2024 - Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST)

Schlaich, Alexander, 2024, "Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", https://doi.org/10.18419/DARUS-3966, DaRUS, V1

Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHERM), and run the equilibrium and non-equilibrium MD simulations, respec...

av_charge.py

Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

Python Source Code - 378 B -

av_msds.py

Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

Python Source Code - 1.7 KB -

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