PN 3

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

Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

221 to 230 of 793 Results

readme.txt Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Plain Text - 1.3 KB - MD5: dd479ad50658b8a4997ee48a154e01eb Readme file
Softwarepackage CCMOR2 Dec 19, 2023 - Projects without PN Affiliation Rettberg, Johannes; Wittwar, Dominik; Herkert, Robin, 2023, "Softwarepackage CCMOR2", https://doi.org/10.18419/DARUS-3839, DaRUS, V1 The dataset entails the code of the CCMOR2 package developed in Matlab. This project aims to model and perform certified model order reduction on multi-physical systems. The systems are formulated in the port-Hamiltonian framework which incorporates useful system theoretic properties such as stability and passivity. The approach is subvided into th...
CCMOR2.zip Dec 19, 2023 - Softwarepackage CCMOR2 ZIP Archive - 8.4 MB - MD5: edb954007a9830d191d7ccb3223c7a1d
README.md Dec 19, 2023 - Softwarepackage CCMOR2 Markdown Text - 5.9 KB - MD5: 18613b23451f0ef31c5103dfb55da52b
Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Dec 14, 2023 - Materials Design Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/DARUS-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF] Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentials (MTPs) and high-MTPs (for seperate hcp and bcc phases and combined...
combined_MTPs.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 - 480.3 KB - MD5: 0d802a23afdce2c62f307df8e7f67524 The combined MTPs for Ti, Zr, and Hf, fitted to the training sets for both the hcp and bcc phases.
Gform_vac.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 - 117.5 KB - MD5: 56c974063dc811d872567d00bf71acc1 The Gibbs energies of vacancy formation for bcc Ti, Zr, and Hf.
Hf_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 - 201.8 MB - MD5: 2807e254d44fd27f8f29c04ef2d83c9a The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Hf using the PBE functional.
Hf_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 - 161.1 MB - MD5: 55b6564fc34fbaf0f9a8098e7ea2db28 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Hf using the PBE functional.
table-thermodynamic-Hf-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 - 98.8 KB - 10 Variables, 1253 Observations - UNF:6:6B35IUPLYWFOsOWgjGYyVA== The free energies and the final thermodynamic database (properties) for bcc Hf using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.

readme.txt

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Plain Text - 1.3 KB -

Readme file

Softwarepackage CCMOR2

Dec 19, 2023 - Projects without PN Affiliation

Rettberg, Johannes; Wittwar, Dominik; Herkert, Robin, 2023, "Softwarepackage CCMOR2", https://doi.org/10.18419/DARUS-3839, DaRUS, V1

The dataset entails the code of the CCMOR2 package developed in Matlab. This project aims to model and perform certified model order reduction on multi-physical systems. The systems are formulated in the port-Hamiltonian framework which incorporates useful system theoretic properties such as stability and passivity. The approach is subvided into th...

CCMOR2.zip

Dec 19, 2023 - Softwarepackage CCMOR2

ZIP Archive - 8.4 MB -

README.md

Dec 19, 2023 - Softwarepackage CCMOR2

Markdown Text - 5.9 KB -

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

Dec 14, 2023 - Materials Design

Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/DARUS-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]

Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentials (MTPs) and high-MTPs (for seperate hcp and bcc phases and combined...

combined_MTPs.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 - 480.3 KB -

The combined MTPs for Ti, Zr, and Hf, fitted to the training sets for both the hcp and bcc phases.

Gform_vac.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 - 117.5 KB -

The Gibbs energies of vacancy formation for bcc Ti, Zr, and Hf.

Hf_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 - 201.8 MB -

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

Hf_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 - 161.1 MB -

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

table-thermodynamic-Hf-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 - 98.8 KB - 10 Variables, 1253 Observations -

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

Add Data

Share Dataverse

Link Dataverse

Reset Modifications