Publications
Anomalous conductance oscillations and half-metallicity in atomic Ag-O chains
Using spin density functional theory, we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic ground state implying fully spin-polarized charge carriers. The conductances of the chains exhibit weak even-odd oscillations around an anomalously low value of 0.1G0 (G0=2e2/h) which coincide with the averaged experimental conductance in the long chain limit.
Sloppiness, robustness, and evolvability in systems biology
The functioning of many biochemical networks is often robust - remarkably stable under changes in external conditions and internal reaction parameters. Much recent work on robustness and evolvability has focused on the structure of neutral spaces, in which system behavior remains invariant to mutations. Recently we have shown that the collective behavior of multiparameter models is most often sloppy: insensitive to changes except along a few 'stiff' combinations of parameters, with an enormous sloppy neutral subspace.
Grain boundary energies and cohesive strength as a function of geometry
Cohesive laws are stress-strain curves used in finite element calculations to describe the debonding of interfaces such as grain boundaries. It would be convenient to describe grain boundary cohesive laws as a function of the parameters needed to describe the grain boundary geometry; two parameters in two dimensions and five parameters in three dimensions. However, we find that the cohesive law is not a smooth function of these parameters. In fact, it is discontinuous at geometries for which the two grains have repeat distances that are rational with respect to one another.
Abrupt buckling transition observed during the plectoneme formation of individual DNA molecules
The response of single DNA molecules to externally applied forces and torques was directly measured using an angular optical trap. Upon overwinding, DNA buckled abruptly as revealed by a sharp extension drop followed by a torque plateau. When the DNA was held at the buckling transition, its extension hopped rapidly between two distinct states. Furthermore, the initial plectonemic loop absorbed approximately twice as much extension as was absorbed into the plectoneme upon each additional turn.
Shocks and slip systems: Predictions from a mesoscale theory of continuum dislocation dynamics
Exploring a recently developed mesoscale continuum theory of dislocation dynamics, we derive three predictions about plasticity and grain boundary formation in crystals. (1) There is a residual stress jump across grain boundaries and plasticity-induced cell walls as they form, which self-consistently acts to attract neighboring dislocations; residual stress in this theory appears as a remnant of the driving force behind wall formation under both polygonization and plastic deformation. We derive the predicted asymptotic late-time dynamics of the grain-boundary formation process.