571 to 580 of 128,245 Results
Jul 23, 2025 - Simulation Data
Zirwes, Thorsten, 2025, "DATA: hydrogen and ammonia flame speeds from different Soret diffusion models", https://doi.org/10.18419/DARUS-5138, DaRUS, V1
Unstretched laminar flame speeds (sL0) of hydrogen-air and ammonia/hydrogen-air flames Each file contains a table with the raw flame speed data presented in the paper T. Zirwes, A. Kronenburg, "Assessment of Approximate Soret Diffusion Models for Hydrogen and Ammonia Combustion", Flow, Turbulence and Combustion (2025), https://doi.org/10.1007/s1049... |
Fixed Field Text Data - 15.5 KB -
MD5: 296227223b76178bf3dc00c39538a0b5
Unstretched laminar flame speeds at 300K and 1atm for ammonia/hydrogen-air flames (60/40 blend by volume) at different equivalence ratios from the Stagni reaction mechanism using different Soret diffusion models. |
Fixed Field Text Data - 12.4 KB -
MD5: 21d85da092839596fdb53e028735e22f
Unstretched laminar flame speeds at 300K and 1atm for hydrogen-air flames at different equivalence ratios from the Boivin reaction mechanism using different Soret diffusion models. |
Fixed Field Text Data - 12.4 KB -
MD5: 9920717bbec9e0c7ac4d2dc129bd5eb8
Unstretched laminar flame speeds at 300K and 1atm for hydrogen-air flames at different equivalence ratios from the Burke reaction mechanism using different Soret diffusion models. |
Fixed Field Text Data - 12.4 KB -
MD5: 58875c42b351c42463be969cfb6cc4d7
Unstretched laminar flame speeds at 300K and 1atm for hydrogen-air flames at different equivalence ratios from the Li reaction mechanism using different Soret diffusion models. |
Fixed Field Text Data - 12.4 KB -
MD5: a4206f970385692e8ae0bd32b24b5921
Unstretched laminar flame speeds at 300K and 5atm for hydrogen-air flames at different equivalence ratios from the Li reaction mechanism using different Soret diffusion models. |
Fixed Field Text Data - 12.4 KB -
MD5: b79830a3ecb2ece15af8e2a4ce4bb6f5
Unstretched laminar flame speeds at 500K and 1atm for hydrogen-air flames at different equivalence ratios from the Li reaction mechanism using different Soret diffusion models. |
Jul 22, 2025 - Materials Design
Kumar, Pranav; Körmann, Fritz; Grabowski, Blazej; Ikeda, Yuji, 2025, "Data for: Machine learning potentials for hydrogen absorption in TiCr2 Laves phases", https://doi.org/10.18419/DARUS-5169, DaRUS, V1
This dataset supports the development and validation of machine learning interatomic potentials (MLIPs) for modeling hydrogen absorption in C14 (hexagonal) and C15 (cubic) TiCr₂-based Laves phases. It includes density functional theory (DFT) calculations, fitted moment tensor potentials (Level 16), and basin-hopping Monte Carlo (BHMC)-sampled struc... |
ZIP Archive - 92.9 MB -
MD5: ebf740d28dfdf11c53fda36a850b60bb
database/ contains two subfolders:
Training_db/ provides DFT-calculated energies, forces, and stresses for a diverse set of hydrogenated configurations used to train the MLIPs.
Test_db/ includes independent DFT-evaluated configurations used to benchmark the predictive accuracy of the trained force fields. |
ZIP Archive - 120.6 KB -
MD5: 28b9f7aee50619e0e388011ea347f5d2
dilute_H_configurations/ offers low-concentration hydrogen configurations for both Laves phases obtained from DFT:
C14/ features single and two-hydrogen configurations with interstitial site connectivity types such as face-connected (1D) and edge-connected (2D).
C15/ provides analogous configurations with similar connectivity types. |
