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At least 235 records · Page 13Linked to original sources
arXiv2013

Constructor Theory

Constructor theory seeks to express all fundamental scientific theories in terms of a dichotomy between possible and impossible physical transformations - those that can be caused to happen and those that cannot. This is a departure from the prevailing conception of fundamental physics which is to predict what will happen from initial conditions and laws of motion. Several converging motivations for expecting constructor theory to be a fundamental branch of physics are discussed. Some principles of the theory are suggested and its potential for solving various problems and achieving various unifications is explored. These include providing a theory of information underlying classical and quantum information; generalising the theory of computation to include all physical transformations; unifying formal statements of conservation laws with the stronger operational ones (such as the ruling-out of perpetual motion machines); expressing the principles of testability and of the computability of nature (currently deemed methodological and metaphysical respectively) as laws of physics; allowing exact statements of emergent laws (such as the second law of thermodynamics); and expressing certain apparently anthropocentric attributes such as knowledge in physical terms.

physics.hist-ph↗
arXiv2012

Demonstrating the Usefulness of CAELinux for Computer Aided Engineering using an Example of the Three Dimensional Reconstruction of a Pig Liver

CAELinux is a Linux distribution which is bundled with free software packages related to Computer Aided Engineering (CAE). The free software packages include software that can build a three dimensional solid model, programs that can mesh a geometry, software for carrying out Finite Element Analysis (FEA), programs that can carry out image processing etc. Present work has two goals: 1) To give a brief description of CAELinux 2) To demonstrate that CAELinux could be useful for Computer Aided Engineering, using an example of the three dimensional reconstruction of a pig liver from a stack of CT-scan images. One can note that instead of using CAELinux, using commercial software for reconstructing the liver would cost a lot of money. One can also note that CAELinux is a free and open source operating system and all software packages that are included in the operating system are also free. Hence one can conclude that CAELinux could be a very useful tool in application areas like surgical simulation which require three dimensional reconstructions of biological organs. Also, one can see that CAELinux could be a very useful tool for Computer Aided Engineering, in general.

cs.MS↗
arXiv2013

Numerical solutions of thin film equations for polymer flows

We report on the numerical implementation of thin film equations that describe the capillary-driven evolution of viscous films, in two-dimensional configurations. After recalling the general forms and features of these equations, we focus on two particular cases inspired by experiments: the leveling of a step at the free surface of a polymer film, and the leveling of a polymer droplet over an identical film. In each case, we first discuss the long-term self-similar regime reached by the numerical solution before comparing it to the experimental profile. The agreement between theory and experiment is excellent, thus providing a versatile probe for nanorheology of viscous liquids in thin film geometries.

cond-mat.soft↗
arXiv2012

The Universe at Extreme Scale: Multi-Petaflop Sky Simulation on the BG/Q

Remarkable observational advances have established a compelling cross-validated model of the Universe. Yet, two key pillars of this model -- dark matter and dark energy -- remain mysterious. Sky surveys that map billions of galaxies to explore the `Dark Universe', demand a corresponding extreme-scale simulation capability; the HACC (Hybrid/Hardware Accelerated Cosmology Code) framework has been designed to deliver this level of performance now, and into the future. With its novel algorithmic structure, HACC allows flexible tuning across diverse architectures, including accelerated and multi-core systems. On the IBM BG/Q, HACC attains unprecedented scalable performance -- currently 13.94 PFlops at 69.2% of peak and 90% parallel efficiency on 1,572,864 cores with an equal number of MPI ranks, and a concurrency of 6.3 million. This level of performance was achieved at extreme problem sizes, including a benchmark run with more than 3.6 trillion particles, significantly larger than any cosmological simulation yet performed.

cs.DC↗
arXiv2013

Noiseless Vlasov-Poisson simulations with linearly transformed particles

We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts to using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development of Denavit's Forward Semi-Lagrangian (FSL) scheme [J. Denavit, J. Comp. Physics 9, 75 (1972)]. However, it has recently been established [M. Campos Pinto, "Smooth particle methods without smoothing", arXiv:1112.1859 (2012)] that the underlying Linearly-Transformed Particle scheme converges for abstract transport problems, with no need to remap the particles; deforming the particles can thus be seen as a way to significantly lower the remapping frequency needed in the FSL schemes, and hence the associated numerical diffusion. To couple the method with electrostatic field solvers, two specific charge deposition schemes are examined, and their performance compared with that of the standard deposition method. Finally, numerical 1d1v simulations involving benchmark test cases and halo formation in an initially mismatched thermal sheet beam demonstrate some advantages of our LTPIC scheme over the classical PIC and FSL methods. Benchmarked test cases also indicate that, for numerical choices involving similar computational effort, the LTPIC method is capable of accuracy comparable to or exceeding that of state-of-the-art, high-resolution Vlasov schemes.

physics.plasm-ph↗
arXiv2013

Radiation reaction on a classical charged particle: a modified form of the equation of motion

We present and numerically solve a modified form of the equation of motion for a charged particle under the influence of an external force, taking into account the radiation reaction. This covariant equation is integrodifferential, as Dirac-Röhrlich's, but has several technical improvements. First, the equation has the form of the second Newton law, with acceleration isolated on the left hand side, and the force depending only on positions and velocities: thus, the equation is linear in the highest derivative. Second, the total four-force is by construction perpendicular to the four-velocity. And third, if the external force vanishes for all future times, the total force and the acceleration automatically vanish at present time. We show the advantages of this equation by solving it numerically for several examples of external force.

physics.class-ph↗
arXiv2012

A proposal for community driven and decentralized astronomical databases and the Open Exoplanet Catalogue

I present a new kind of astronomical database based on small text files and a distributed version control system. This encourages the community to work collaboratively. It creates a decentralized, completely open and democratic way of managing small to medium sized heterogeneous astronomical databases and catalogues. The use of the XML file format allows an easy to parse and read, yet dynamic and extendable database structure. The Open Exoplanet Catalogue is based on these principles and presented as an example. It is a catalogue of all discovered extra-solar planets. It is the only catalogue that can correctly represent the orbital structure of planets in arbitrary binary, triple and quadruple star systems, as well as orphan planets.

astro-ph.EP↗
arXiv2013

The quest for a universal density functional: The accuracy of density functionals across a broad spectrum of databases in chemistry and physics

Kohn-Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange-correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading-as a long-range goal-to a functional with good accuracy for all problems, i.e., a universal functional. To guide our path toward that goal and to measure our progress, we have developed-building on earlier work in our group-a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes such as atomization, complexation, proton addition, and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For the present paper we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test 2 wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore the results provide a status report on the quest for a universal functional.

physics.chem-ph↗
arXiv2014

Strong correlations in density-functional theory: A model of spin-charge and spin-orbital separations

It is known that the separation of electrons into spinons and chargons, the spin-charge separation, plays a decisive role when describing strongly correlated density distributions in one dimension. In this manuscript, we extend the investigation by considering a model for the third electron fractionalization: the separation into spinons, chargons and orbitons -- the last associated with the electronic orbital degree of freedom. Specifically, we deal with two exact constraints of exchange-correlation (XC) density-functionals: (i) The constancy of the highest occupied (HO) Kohn-Sham (KS) eigenvalues upon fractional electron numbers, and (ii) their discontinuities at integers. By means of one-dimensional (1D) discrete Hubbard chains and 1D Hydrogen molecules in the continuum, we find that spin-charge separation yields almost constant HO KS eigenvalues, whereas the spin-orbital counterpart can be decisive when describing derivative discontinuities of XC potentials at strong correlations.

physics.chem-ph↗
arXiv2013

Numerical Methods for Quasicrystals

Quasicrystals are one kind of space-filling structures. The traditional crystalline approximant method utilizes periodic structures to approximate quasicrystals. The errors of this approach come from two parts: the numerical discretization, and the approximate error of Simultaneous Diophantine Approximation which also determines the size of the domain necessary for accurate solution. As the approximate error decreases, the computational complexity grows rapidly, and moreover, the approximate error always exits unless the computational region is the full space. In this work we focus on the development of numerical method to compute quasicrystals with high accuracy. With the help of higher-dimensional reciprocal space, a new projection method is developed to compute quasicrystals. The approach enables us to calculate quasicrystals rather than crystalline approximants. Compared with the crystalline approximant method, the projection method overcomes the restrictions of the Simultaneous Diophantine Approximation, and can also use periodic boundary conditions conveniently. Meanwhile, the proposed method efficiently reduces the computational complexity through implementing in a unit cell and using pseudospectral method. For illustrative purpose we work with the Lifshitz-Petrich model, though our present algorithm will apply to more general systems including quasicrystals. We find that the projection method can maintain the rotational symmetry accurately. More significantly, the algorithm can calculate the free energy density to high precision.

physics.comp-ph↗
arXiv2014

Phase-Field Modeling of Contact Melting in Binary Alloys

Computer simulations of the phenomenon of contact melting in binary alloys with chemical miscibility gap are performed on the basis of the phase field theory. Kinetics of the process is examined within the isothermal approximation, as a function of initial state. As evidenced by simulations, the simplest phase field model is capable of reproducing the basic properties of the phenomenon. The numerical results obtained suggest the diffusive nature of contact melting.

cond-mat.mtrl-sci↗
arXiv2013

3D Computational Ghost Imaging

Computational ghost imaging retrieves the spatial information of a scene using a single pixel detector. By projecting a series of known random patterns and measuring the back reflected intensity for each one, it is possible to reconstruct a 2D image of the scene. In this work we overcome previous limitations of computational ghost imaging and capture the 3D spatial form of an object by using several single pixel detectors in different locations. From each detector we derive a 2D image of the object that appears to be illuminated from a different direction, using only a single digital projector as illumination. Comparing the shading of the images allows the surface gradient and hence the 3D form of the object to be reconstructed. We compare our result to that obtained from a stereo- photogrammetric system utilizing multiple high resolution cameras. Our low cost approach is compatible with consumer applications and can readily be extended to non-visible wavebands.

physics.optics↗
arXiv2013

A Geometric Knotspace Template

Early last century witnessed both the complete classification of 2-dimensional manifolds and a proof that classification of 4-dimensional manifolds is undecidable, setting up 3-dimensional manifolds as a central battleground of topology to this day. A rather important subset of the 3-manifolds has turned out to be the knotspaces, the manifolds left when a thin tube around a knot in 3D space is excised. Given a knot diagram it would be desirable to provide as compact a description of its knotspace as feasible; hitherto this has been done by computationally tessellating the knotspace of a given knot into polyhedral complexes using ad hoc methods of uncontrolled computational complexity. Here we present an extremely compact representation of the knotspace obtainable directly from a knot diagram; more technically, an explicit, geometrically-inspired polygonal tessellation of a deformation retract of the knotspace of arbitrary knots and links. Our template can be constructed directly from a planar presentation of the knot with C crossings using at most 12C polygons bounded by 64C edges, in time O(C). We show the utility of our template by deriving a novel presentation of the fundamental group, from which we motivate a measure of complexity of the knot diagram.

math.GT↗
arXiv2013

Numerical Investigation of Nonisothermal Reversed Stagnation-point Flow

This thesis investigates the nature of the development of two-dimensional laminar nonisothermal flow of an incompressible fluid close to the reversed stagnation-point. Proudman and Johnson (1962) \cite{proudman1962boundary} first studied the flow and obtained an asymptotic solution by neglecting the viscous terms. This is not practice in neglecting the viscous terms within the total flow field. Viscous terms in this analysis are now included, and two-dimensional nonisothermal reversed stagnation-point flow is investigated by solving the Navier-Stokes equations coupled to energy equation.

physics.flu-dyn↗
arXiv2015

RandFile package for Mathematica for accessing file-based sources of randomness

We present a package for Mathematica computer algebra system which allows the exploitation of local files as sources of random data. We provide the description of the package and illustrate its usage by showing some examples. We also compare the provided functionality with alternative sources of randomness, namely a built-in pseudo-random generator and the package for accessing hardware true random number generators.

physics.comp-ph↗
arXiv2013

Geant4 Applications for Modeling Molecular Transport in Complex Vacuum Geometries

We discuss a novel use of the Geant4 simulation toolkit to model molecular transport in a vacuum environment, in the molecular flow regime. The Geant4 toolkit was originally developed by the high energy physics community to simulate the interactions of elementary particles within complex detector systems. Here its capabilities are utilized to model molecular vacuum transport in geometries where other techniques are impractical. The techniques are verified with an application representing a simple vacuum geometry that has been studied previously both analytically and by basic Monte Carlo simulation. We discuss the use of an application with a very complicated geometry, that of the Large Synoptic Survey Telescope camera cryostat, to determine probabilities of transport of contaminant molecules to optical surfaces where control of contamination is crucial.

physics.comp-ph↗
arXiv2013

Ab initio study of low-energy electronic collective excitations in bulk Pb: anisotropy and acoustic modes

A theoretical study of the dynamical dielectric response of bulk lead at low energies is presented. The calculations are performed with full inclusion of the electron band structure calculated by means of a first-principles pseudopotential approach. The effect of including the spin-orbit splittings in the band structure is analyzed, together with dynamical exchange-correlation and local-field effects. Excitations are studied in detail, showing the presence at small momenta of acoustic-like dispersing excitations. The character of these modes with sound-like dispersion depends on the direction of the momentum transfer q. In general results show strong anisotropy effects on the dielectric response of bulk Pb. Comparison with available optical experimental data shows good agreement.

cond-mat.mtrl-sci↗