17,846 research outputs found
Implications for the structural integrity of the Venusian crust
Comparisons of the fracture and yield stresses for the lithospheres of the Earth and Venus are derived from known empirical fracture and flow laws
A parallel multistate framework for atomistic non-equilibrium reaction dynamics of solutes in strongly interacting organic solvents
We describe a parallel linear-scaling computational framework developed to
implement arbitrarily large multi-state empirical valence bond (MS-EVB)
calculations within CHARMM. Forces are obtained using the Hellman-Feynmann
relationship, giving continuous gradients, and excellent energy conservation.
Utilizing multi-dimensional Gaussian coupling elements fit to CCSD(T)-F12
electronic structure theory, we built a 64-state MS-EVB model designed to study
the F + CD3CN -> DF + CD2CN reaction in CD3CN solvent. This approach allows us
to build a reactive potential energy surface (PES) whose balanced accuracy and
efficiency considerably surpass what we could achieve otherwise. We use our PES
to run MD simulations, and examine a range of transient observables which
follow in the wake of reaction, including transient spectra of the DF
vibrational band, time dependent profiles of vibrationally excited DF in CD3CN
solvent, and relaxation rates for energy flow from DF into the solvent, all of
which agree well with experimental observations. Immediately following
deuterium abstraction, the nascent DF is in a non-equilibrium regime in two
different respects: (1) it is highly excited, with ~23 kcal mol-1 localized in
the stretch; and (2) not yet Hydrogen bonded to the CD3CN solvent, its
microsolvation environment is intermediate between the non-interacting
gas-phase limit and the solution-phase equilibrium limit. Vibrational
relaxation of the nascent DF results in a spectral blue shift, while relaxation
of its microsolvation environment results in a red shift. These two competing
effects result in a post-reaction relaxation profile distinct from that
observed when DF vibration excitation occurs within an equilibrium
microsolvation environment. The parallel software framework presented in this
paper should be more broadly applicable to a range of complex reactive systems.Comment: 58 pages and 29 Figure
The changing international network of sovereign debt and financial institutions
We develop a theoretical and empirical framework for the connections between global financial and sovereign CDS markets. The transmission of shocks is shown to affect the systemic default probability of the international network. The network is found to be "robust but fragile", meaning that a shock can result in the propagation of crises. Between 2003 and 2013, the probability of default in the network in the face of potentially poor investment outcomes and/or sovereign bond haircuts changes sub-stantially. The results suggest that it is the interconnectedness of the financial and sovereign debt markets that provides increased protection against financial fragility
Disk Properties and Density Structure of the Star-Forming Dense Core B335
We present subarcsecond resolution dust continuum observations of the
protostellar collapse candidate B335 made with the IRAM Plateau de Bure
Interferometer at wavelengths of 1.2 and 3.0 mm. These observations probe to <
100 AU size scales and reveal a compact source component that we identify with
a circumstellar disk. We analyze these data in concert with previous lower
resolution interferometer observations and find a best fit density structure
for B335 that consists of a power law envelope with index p=1.55 +/- 0.04 (r <
5000 AU) together with a disk (r < 100 AU) of flux F_{1.2 mm}=21 +/-2 mJy. We
estimate a systematic uncertainty in the power law index delta(p) < 0.15, where
the largest error comes from the assumed form of the dust temperature falloff
with radius. This determination of the inner density structure of B335 has a
precision unique amongst protostellar cores, and it is consistent with the
r^{-1.5} profile of gravitational free-fall, in accord with basic expectations
for the formation of a star. The flux (and implied mass) of the compact
component in B335 is typical of the disks around T Tauri stars.Comment: 16 pages, 2 figures. Accepted to the Astrophysical Journal, sched
v596 (2003 Oct 10
Noncommutative Solitons and Intersecting D-Branes
We construct intersecting D-branes as noncommutative solitons in bosonic and
type II string theory. ``Defect'' branes which are D-branes containing bubbles
of the closed string vacuum play an important role in the construction.Comment: 17 pages, harvmac; published version with added clarification
- …