http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2022398362-A1
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_dd554226db6acd26c2c6b6051e3b54d6 |
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-30 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C60-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06F30-20 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C10-00 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C60-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C10-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F30-20 |
| filingDate | 2022-06-08-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_8a1c39fb91b8b5ef264f7ac9eb64f1c3 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_8ad4593da7bc694c7be61332292b3076 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_8c23716c7639f90a0b4e942eaca3d288 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f6d32493183afbb35dedff54310e79a5 |
| publicationDate | 2022-12-15-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | US-2022398362-A1 |
| titleOfInvention | Generating molecular dynamics potentials and simulating thereof for predicting properties of multi-element alloy structures |
| abstract | Traditionally, new alloy development and processing involved various high-end expansive experiments, huge development time and cost of required man-hours. One of the major issues, which limits the ability for materials scientists to design metallic materials from atoms using Molecular Dynamics (MD), is the lack of accurate interatomic molecular dynamics potentials (MDPs). Suitable MDPs of desired alloy systems enable new alloy compositions and related properties, but however, this is very difficult and time-consuming process. The present disclosure enables developing molecular dynamics potential for new/traditional metallic alloys for their simulated structural, thermodynamic, and mechanical property predictions. Present disclosure provides systems and methods for generating MDP for multi-element alloy systems wherein both Body Centered Cubic (BCC) element type and/or a Face Centered Cubic (FCC) element type are combined. Pure elements and multi-element alloys of combinations of BCC and FCC elements are modeled for predicting their various structural, thermodynamic, and mechanical properties. |
| priorityDate | 2021-06-09-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
| Predicate | Subject |
|---|---|
| isDiscussedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID104727 http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419583196 |
Total number of triples: 21.