Learn More
The thermoelastic properties of ferropericlase Mg(1-x)Fe(x)O (x = 0.1875) throughout the iron high-to-low spin cross-over have been investigated by first principles at Earth's lower mantle conditions. This cross-over has important consequences for elasticity such as an anomalous bulk modulus (K(S)) reduction. At room temperature the anomaly is somewhat(More)
Understanding failure in nanomaterials is critical for the design of reliable structural materials and small-scale devices with nanoscale components. No consensus exists on the effect of flaws on fracture at the nanoscale, but proposed theories include nanoscale flaw tolerance and maintaining macroscopic fracture relationships at the nanoscale with scarce(More)
We report the synthesis, mechanical properties, and deformation mechanisms of polycrystalline, platinum nanocylinders of grain size d = 12 nm. The number of grains across the diameter, D/d, was varied from 5 to 80 and 1.5 to 5 in the experiments and molecular dynamics simulations, respectively. An abrupt weakening is observed at a small D/d, while the(More)
Experimental studies of the tensile behavior of metallic nanowires show a wide range of failure modes, ranging from ductile necking to brittle/localized shear failure-often in the same diameter wires. We performed large-scale molecular dynamics simulations of copper nanowires with a range of nanowire lengths and provide unequivocal evidence for a transition(More)
The emergence of size-dependent mechanical strength in nanosized materials is now well-established, but no fundamental understanding of fracture toughness or flaw sensitivity in nanostructures exists. We report the fabrication and in situ fracture testing of ∼70 nm diameter Ni-P metallic glass samples with a structural flaw. Failure occurs at the structural(More)
Magnesium is a lightweight structural metal but it exhibits low ductility-connected with unusual, mechanistically unexplained, dislocation and plasticity phenomena-which makes it difficult to form and use in energy-saving lightweight structures. We employ long-time molecular dynamics simulations utilizing a density-functional-theory-validated interatomic(More)
Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these(More)
  • 1