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1 to 10 of 44 Results
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
Bulk_thermodynamic.txt
Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al
Plain Text - 125.7 KB - MD5: 79caa586782d28f4eff6028ee5b12d55
INCAR
May 26, 2023 - Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems
Plain Text - 517 B - MD5: 3481f8c54ebde1c13d6e016ef5b9d493
INCAR file for VASP which was used for calculations
Gform_vac_Mo_bcc_PBE.txt
May 12, 2023 - Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
Plain Text - 151.5 KB - MD5: c3180fa9ce343e958f54113dd7a0c7ae
The Gibbs energy of vacancy formation for bcc molybdenum (Mo) using the PBE functional.
Gform_vac_Ta_bcc_PBE.txt
May 12, 2023 - Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
Plain Text - 172.2 KB - MD5: 3bfd25dfb444f69e35d2ae7bc7ae64ae
The Gibbs energy of vacancy formation for bcc molybdenum (Ta) using the PBE functional.
Gform_vac_V_bcc_PBE.txt
May 12, 2023 - Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
Plain Text - 114.3 KB - MD5: 6474483b63be20a82521ddc1f096b058
The Gibbs energy of vacancy formation for bcc molybdenum (V) using the PBE functional.
Gform_vac_W_bcc_PBE.txt
May 12, 2023 - Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
Plain Text - 192.9 KB - MD5: cafa7fd60beafa4ccfb56ce314b4ced1
The Gibbs energy of vacancy formation for bcc molybdenum (W) using the PBE functional.
table_thermodynamic_Mo_bcc_PBE.txt
May 12, 2023 - Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
Plain Text - 240.5 KB - MD5: 840f7362323814f7cd0a2b26fea06333
The free energies and the final thermodynamic database (properties) for bcc molybdenum (Mo) using the PBE functional.
table_thermodynamic_Ta_bcc_PBE.txt
May 12, 2023 - Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals
Plain Text - 273.3 KB - MD5: e70bf6839cb764582617168c52b8e19f
The free energies and the final thermodynamic database (properties) for bcc tantalum (Ta) using the PBE functional.
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