347 research outputs found
Numerical Investigation of Ion Transport in the MOMA Ion Mass Spectrometer
The Mars Organic Molecule Analyzer (MOMA) is a miniature ion trap mass spectrometer designed for the upcoming ExoMars Rover mission. The spectrometer uses laser desorption to ionize a Martian soil sample within an instrument internal clean zone maintained at ambient Martian pressure. A high-speed aperture valve transiently opens to allow ionized constituents, along with the ambient gas, to enter a vacuum cavity containing a linear ion trap mass spectrometer. The ambient clean zone and the vacuum cavity are connected via a few centimeter long aperture valve ion guide tube. In this paper, we present results from a recently completed numerical investigation of ion transport from the ion source across the ion guide. Specifically, we focus on collisional coupling between ions and the neutral molecules flowing into the vacuum cavity. The simulation domain contains the ambient region, and we consider the variation in ion conductance with ambient pressure. We also analyze the impact of a fixed potential bias applied to the aperture valve. Simulations are performed with a two-dimensional axisymmetric PIC / DSMC code Starfish. Numerical results are compared to experimental data
PP-Wave / CFT_2 Duality
We investigate the pp-wave limit of the AdS_3\times S^3\times K3
compactification of Type IIB string theory from the point of view of the dual
Sym_N(K3) CFT. It is proposed that a fundamental string in this pp-wave
geometry is dual to the c=6 effective string of the Sym_N(K3) CFT, with the
string bits of the latter being composed of twist operators. The massive
fundamental string oscillators correspond to certain twisted Virasoro
generators in the effective string. It is shown that both the ground states and
the genus expansion parameter (at least in the orbifold limit of the CFT)
coincide. Surprisingly the latter scales like J^2/N rather than the J^4/N^2
which might have been expected. We demonstrate a leading-order agreement
between the pp-wave and CFT particle spectra. For a degenerate special case
(one NS 5-brane) an intriguing complete agreement is found.Comment: JHEP3 LaTeX, 20 pages; discussion of WZW levels clarified, reference
adde
Becoming the Synthi-Fou: Stockhausen and the new keyboardism
Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich.This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.Karlheinz Stockhausen embraced the potential of electronic music to generate new timbres and acoustic typologies early in his career. After first experimenting with magnetic tape in works such as Gesang der Jünglinge (1955) and Kontakte (1958–60), he later embraced other synthesis technologies for the production of large-scale spatial electro-acoustic works such as Sirius (1970) and Oktophonie (1990–91). His interest in technological advances in sound design and sound diffusion also managed to penetrate his highly evolved Klavierstücke
Approximate and exact nodes of fermionic wavefunctions: coordinate transformations and topologies
A study of fermion nodes for spin-polarized states of a few-electron ions and
molecules with one-particle orbitals is presented. We find exact nodes
for some cases of two electron atomic and molecular states and also the first
exact node for the three-electron atomic system in state using
appropriate coordinate maps and wavefunction symmetries. We analyze the cases
of nodes for larger number of electrons in the Hartree-Fock approximation and
for some cases we find transformations for projecting the high-dimensional node
manifolds into 3D space. The node topologies and other properties are studied
using these projections. We also propose a general coordinate transformation as
an extension of Feynman-Cohen backflow coordinates to both simplify the nodal
description and as a new variational freedom for quantum Monte Carlo trial
wavefunctions.Comment: 7 pages, 7 figure
Cubic Twistorial String Field Theory
Witten has recently proposed a string theory in twistor space whose
D-instanton contributions are conjectured to compute N=4 super-Yang-Mills
scattering amplitudes. An alternative string theory in twistor space was then
proposed whose open string tree amplitudes reproduce the D-instanton
computations of maximal degree in Witten's model.
In this paper, a cubic open string field theory action is constructed for
this alternative string in twistor space, and is shown to be invariant under
parity transformations which exchange MHV and googly amplitudes. Since the
string field theory action is gauge-invariant and reproduces the correct cubic
super-Yang-Mills interactions, it provides strong support for the conjecture
that the string theory correctly computes N-point super-Yang-Mills tree
amplitudes.Comment: 19+1 pages, 4+1 EPS figures, JHEP3 LaTeX; v2: minor corrections,
references added; v3: the final version published in JHEP with a new footnote
on the d=0 on-shell contributio
DiVinE-CUDA - A Tool for GPU Accelerated LTL Model Checking
In this paper we present a tool that performs CUDA accelerated LTL Model
Checking. The tool exploits parallel algorithm MAP adjusted to the NVIDIA CUDA
architecture in order to efficiently detect the presence of accepting cycles in
a directed graph. Accepting cycle detection is the core algorithmic procedure
in automata-based LTL Model Checking. We demonstrate that the tool outperforms
non-accelerated version of the algorithm and we discuss where the limits of the
tool are and what we intend to do in the future to avoid them
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo
We review recent advances in the capabilities of the open source ab initio
Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for
greater efficiency and reproducibility. The auxiliary field QMC (AFQMC)
implementation has been greatly expanded to include k-point symmetries,
tensor-hypercontraction, and accelerated graphical processing unit (GPU)
support. These scaling and memory reductions greatly increase the number of
orbitals that can practically be included in AFQMC calculations, increasing
accuracy. Advances in real space methods include techniques for accurate
computation of band gaps and for systematically improving the nodal surface of
ground state wavefunctions. Results of these calculations can be used to
validate application of more approximate electronic structure methods including
GW and density functional based techniques. To provide an improved foundation
for these calculations we utilize a new set of correlation-consistent effective
core potentials (pseudopotentials) that are more accurate than previous sets;
these can also be applied in quantum-chemical and other many-body applications,
not only QMC. These advances increase the efficiency, accuracy, and range of
properties that can be studied in both molecules and materials with QMC and
QMCPACK
Efficient Parallel Statistical Model Checking of Biochemical Networks
We consider the problem of verifying stochastic models of biochemical
networks against behavioral properties expressed in temporal logic terms. Exact
probabilistic verification approaches such as, for example, CSL/PCTL model
checking, are undermined by a huge computational demand which rule them out for
most real case studies. Less demanding approaches, such as statistical model
checking, estimate the likelihood that a property is satisfied by sampling
executions out of the stochastic model. We propose a methodology for
efficiently estimating the likelihood that a LTL property P holds of a
stochastic model of a biochemical network. As with other statistical
verification techniques, the methodology we propose uses a stochastic
simulation algorithm for generating execution samples, however there are three
key aspects that improve the efficiency: first, the sample generation is driven
by on-the-fly verification of P which results in optimal overall simulation
time. Second, the confidence interval estimation for the probability of P to
hold is based on an efficient variant of the Wilson method which ensures a
faster convergence. Third, the whole methodology is designed according to a
parallel fashion and a prototype software tool has been implemented that
performs the sampling/verification process in parallel over an HPC
architecture
Electron correlation in C_(4N+2) carbon rings: aromatic vs. dimerized structures
The electronic structure of C_(4N+2) carbon rings exhibits competing
many-body effects of Huckel aromaticity, second-order Jahn-Teller and Peierls
instability at large sizes. This leads to possible ground state structures with
aromatic, bond angle or bond length alternated geometry. Highly accurate
quantum Monte Carlo results indicate the existence of a crossover between C_10
and C_14 from bond angle to bond length alternation. The aromatic isomer is
always a transition state. The driving mechanism is the second-order
Jahn-Teller effect which keeps the gap open at all sizes.Comment: Submitted for publication: 4 pages, 3 figures. Corrected figure
Parallel symbolic state-space exploration is difficult, but what is the alternative?
State-space exploration is an essential step in many modeling and analysis
problems. Its goal is to find the states reachable from the initial state of a
discrete-state model described. The state space can used to answer important
questions, e.g., "Is there a dead state?" and "Can N become negative?", or as a
starting point for sophisticated investigations expressed in temporal logic.
Unfortunately, the state space is often so large that ordinary explicit data
structures and sequential algorithms cannot cope, prompting the exploration of
(1) parallel approaches using multiple processors, from simple workstation
networks to shared-memory supercomputers, to satisfy large memory and runtime
requirements and (2) symbolic approaches using decision diagrams to encode the
large structured sets and relations manipulated during state-space generation.
Both approaches have merits and limitations. Parallel explicit state-space
generation is challenging, but almost linear speedup can be achieved; however,
the analysis is ultimately limited by the memory and processors available.
Symbolic methods are a heuristic that can efficiently encode many, but not all,
functions over a structured and exponentially large domain; here the pitfalls
are subtler: their performance varies widely depending on the class of decision
diagram chosen, the state variable order, and obscure algorithmic parameters.
As symbolic approaches are often much more efficient than explicit ones for
many practical models, we argue for the need to parallelize symbolic
state-space generation algorithms, so that we can realize the advantage of both
approaches. This is a challenging endeavor, as the most efficient symbolic
algorithm, Saturation, is inherently sequential. We conclude by discussing
challenges, efforts, and promising directions toward this goal
- …