PN 3

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

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11 to 20 of 346 Results

table-thermodynamic-Zr-bcc-PBE.tab Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Tabular Data - 118.4 KB - 10 Variables, 1519 Observations - UNF:6:PIudJPuvl5obJmas+t0oLw== The free energies and the final thermodynamic database (properties) for bcc Zr using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
table-thermodynamic-Zr-hcp-PBE.tab Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Tabular Data - 115.6 KB - 10 Variables, 1521 Observations - UNF:6:1pAqokWi2SaJ7ErSrFdYpQ== The free energies and the final thermodynamic database (properties) for hcp Zr using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
Ti_bcc_PBE.tar.gz Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Gzip Archive - 225.0 MB - MD5: 00007b9b22c4e5209ce39bbfb3e1c54e The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Ti using the PBE functional.
Ti_hcp_PBE.tar.gz Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Gzip Archive - 183.7 MB - MD5: b629e7f39299f1c474bd505aa4d66613 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Ti using the PBE functional.
Zr_bcc_PBE.tar.gz Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Gzip Archive - 214.5 MB - MD5: 35c94c1f0ebcf510ec3fb71ad4757c35 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Zr using the PBE functional.
Zr_hcp_PBE.tar.gz Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Gzip Archive - 195.7 MB - MD5: f81fc865a1417ef50d91854a35131bb8 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Zr using the PBE functional.
PN3A-4(Universität Stuttgart) Oct 16, 2023 Materials 4.0
Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Jun 30, 2023 - PN 3-10 Xu, Xiang, 2023, "Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", https://doi.org/10.18419/darus-3579, DaRUS, V1 Data for the publication " Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", Acta Materialia, 255, doi: 10.1016/j.actamat.2023.118986. This data set contains the training sets (VASP files), the utilized moment-tensor-potentials...
100APB_thermodynamic.txt Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Plain Text - 125.8 KB - MD5: b49021534108df4456b9dcdc4f127f49
111APB_thermodynamic.txt Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Plain Text - 125.8 KB - MD5: 2681d95bd34730d8c89e52aee55cb468

table-thermodynamic-Zr-bcc-PBE.tab

Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Tabular Data - 118.4 KB - 10 Variables, 1519 Observations -

The free energies and the final thermodynamic database (properties) for bcc Zr using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.

table-thermodynamic-Zr-hcp-PBE.tab

Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Tabular Data - 115.6 KB - 10 Variables, 1521 Observations -

The free energies and the final thermodynamic database (properties) for hcp Zr using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.

Ti_bcc_PBE.tar.gz

Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Gzip Archive - 225.0 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Ti using the PBE functional.

Ti_hcp_PBE.tar.gz

Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Gzip Archive - 183.7 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Ti using the PBE functional.

Zr_bcc_PBE.tar.gz

Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Gzip Archive - 214.5 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Zr using the PBE functional.

Zr_hcp_PBE.tar.gz

Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Gzip Archive - 195.7 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Zr using the PBE functional.

PN3A-4(Universität Stuttgart)

Oct 16, 2023

Materials 4.0

Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Jun 30, 2023 - PN 3-10

Xu, Xiang, 2023, "Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", https://doi.org/10.18419/darus-3579, DaRUS, V1

Data for the publication " Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", Acta Materialia, 255, doi: 10.1016/j.actamat.2023.118986. This data set contains the training sets (VASP files), the utilized moment-tensor-potentials...

100APB_thermodynamic.txt

Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Plain Text - 125.8 KB -

111APB_thermodynamic.txt

Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Plain Text - 125.8 KB -

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