About this Abstract |
| Meeting |
MS&T26: Materials Science & Technology
|
| Symposium
|
Progress in High Entropy Materials: Integrating Experiments, Computation, and Machine Learning
|
| Presentation Title |
Elasticity and Electronic Structure of Ta-W Alloys |
| Author(s) |
Michael Widom |
| On-Site Speaker (Planned) |
Michael Widom |
| Abstract Scope |
The brittleness or ductility of metals has long been attributed to their elastic constants, with high Poisson ratio or equivalently a high Pugh ratio favoring greater ductility. Growing evidence links the ductility to their electronic structure. Consequently it is desirable to understand how the electronic structure affects the elastic constants. Here we examine the Ta-W binary alloy system, which evolves from ductile character at Ta-rich compositions to brittleness at high W. We show that a change in slope of the composition-dependent shear modulus at the equiatomic composition coincides with an abrupt change in the Fermi level density of states. We relate the elastic constants to the characters of occupied electronic orbitals close to the Fermi level. |
