Search results for "first"

showing 10 items of 1149 documents

Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials

2018

We extend the first-principles analysis of attosecond transient absorption spectroscopy to two-dimensional materials. As an example of two-dimensional materials, we apply the analysis to monolayer hexagonal boron nitride (h-BN) and compute its transient optical properties under intense few-cycle infrared laser pulses. Nonadiabatic features are observed in the computed transient absorption spectra. To elucidate the microscopic origin of these features, we analyze the electronic structure of h-BN with density functional theory and investigate the dynamics of specific energy bands with a simple two-band model. Finally, we find that laser-induced intraband transitions play a significant role in…

Materials scienceattosecond transient absorption spectroscopyAttosecondAb initioFOS: Physical sciences02 engineering and technologyElectronic structure01 natural sciencesMolecular physicslcsh:TechnologySettore FIS/03 - Fisica Della Materialcsh:Chemistry0103 physical sciencesUltrafast laser spectroscopyGeneral Materials Science010306 general physicsSpectroscopyInstrumentationlcsh:QH301-705.5Fluid Flow and Transfer ProcessesCondensed Matter - Materials Sciencelcsh:TProcess Chemistry and TechnologyGeneral EngineeringMaterials Science (cond-mat.mtrl-sci)Time-dependent density functional theory021001 nanoscience & nanotechnologylcsh:QC1-999Computer Science Applicationstime-dependent density functional theoryfirst-principles simulationlcsh:Biology (General)lcsh:QD1-999lcsh:TA1-2040Density functional theoryTransient (oscillation)0210 nano-technologylcsh:Engineering (General). Civil engineering (General)lcsh:PhysicsOptics (physics.optics)Physics - OpticsApplied Sciences
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Density functional theory description of random Cu-Au alloys

2019

Density functional alloy theory is used to accurately describe the three core effects controlling the thermodynamics of random Cu-Au alloys. These three core effects are exchange correlation (XC), ...

Materials scienceta114tiheysfunktionaaliteoriaAlloyThermodynamics02 engineering and technologyengineering.materialelectronic structure021001 nanoscience & nanotechnology01 natural sciencesCore (optical fiber)Condensed Matter::Materials Sciencealloysfirst-principles calculations0103 physical sciencesengineeringDensity functional theorymetalliseokset010306 general physics0210 nano-technologyta116density functional theoryPhysical Review B
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Explicit polynomial solutions of fourth order linear elliptic Partial Differential Equations for boundary based smooth surface generation

2011

We present an explicit polynomial solution method for surface generation. In this case the surface in question is characterized by some boundary configuration whereby the resulting surface conforms to a fourth order linear elliptic Partial Differential Equation, the Euler–Lagrange equation of a quadratic functional defined by a norm. In particular, the paper deals with surfaces generated as explicit Bézier polynomial solutions for the chosen Partial Differential Equation. To present the explicit solution methodologies adopted here we divide the Partial Differential Equations into two groups namely the orthogonal and the non-orthogonal cases. In order to demonstrate our methodology we discus…

Mathematical analysisFirst-order partial differential equationExplicit and implicit methodsAerospace EngineeringPartial differential equationExplicit polynomial solutionExponential integratorComputer Graphics and Computer-Aided DesignParabolic partial differential equationSurface generationPDE surfaceLinear differential equationElliptic partial differential equationModeling and SimulationAutomotive EngineeringSymbol of a differential operatorMathematicsComputer Aided Geometric Design
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The guarded fragment with transitive guards

2004

The guarded fragment with transitive guards, (GF+TG), is an extension of the guarded frag- ment of 9rst-order logic, GF, in which certain predicates are required to be transitive, transitive predicate letters appear only in guards of the quanti9ers and the equality symbol may appear everywhere. We prove that the decision problem for (GF+TG) is decidable. Moreover, we show that the problem is in 2EXPTIME. This result is optimal since the satis9ability problem for GF is 2EXPTIME-complete (J. Symbolic Logic 64 (1999) 1719-1742). We also show that the satis- 9ability problem for two-variable (GF+TG) is NEXPTIME-hard in contrast to GF with bounded number of variables for which the satis9ability …

Mathematical logicDiscrete mathematicsCombinatoricsTransitive relationComputational complexity theoryLogicBounded functionDecision problemPredicate (grammar)First-order logicDecidabilityMathematicsAnnals of Pure and Applied Logic
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First-passage problem for nonlinear systems under Lévy white noise through path integral method

2016

In this paper, the first-passage problem for nonlinear systems driven by $$\alpha $$ -stable Levy white noises is considered. The path integral solution (PIS) is adopted for determining the reliability function and first-passage time probability density function of nonlinear oscillators. Specifically, based on the properties of $$\alpha $$ -stable random variables and processes, PIS is extended to deal with Levy white noises with any value of the stability index $$\alpha $$ . Application to linear and nonlinear systems considering different values of $$\alpha $$ is reported. Comparisons with pertinent Monte Carlo simulation data demonstrate the accuracy of the results.

Mathematical optimizationPath integralMonte Carlo methodAerospace Engineering020101 civil engineeringOcean EngineeringProbability density function02 engineering and technologyLévy white noise0201 civil engineering0203 mechanical engineeringApplied mathematicsElectrical and Electronic EngineeringMathematicsFirst passageApplied MathematicsMechanical EngineeringWhite noiseFunction (mathematics)Nonlinear systemAlpha (programming language)020303 mechanical engineering & transportsControl and Systems EngineeringPath integral formulationNonlinear systemRandom variable
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Fuzzified Game Tree Search – Precision vs Speed

2012

Most game tree search algorithms consider finding the optimal move. That is, given an evaluation function they guarantee that selected move will be the best according to it. However, in practice most evaluation functions are themselves approximations and cannot be considered "optimal". Besides, we might be satisfied with nearly optimal solution if it gives us a considerable performance improvement. In this paper we present the approximation based implementations of the fuzzified game tree search algorithm. The paradigm of the algorithm allows us to efficiently find nearly optimal solutions so we can choose the "target quality" of the search with arbitrary precision --- either it is 100% (pr…

Mathematical optimizationSearch algorithmMonte Carlo tree searchBeam searchBest-first searchPerformance improvementEvaluation functionAlpha–beta pruningIterative deepening depth-first searchAlgorithmMathematics
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Efficient solution of the first passage problem by Path Integration for normal and Poissonian white noise

2015

Abstract In this paper the first passage problem is examined for linear and nonlinear systems driven by Poissonian and normal white noise input. The problem is handled step-by-step accounting for the Markov properties of the response process and then by Chapman–Kolmogorov equation. The final formulation consists just of a sequence of matrix–vector multiplications giving the reliability density function at any time instant. Comparison with Monte Carlo simulation reveals the excellent accuracy of the proposed method.

Mathematical optimizationSequenceMarkov chainPoisson proceMechanical EngineeringReliability (computer networking)Monte Carlo methodAerospace EngineeringOcean EngineeringStatistical and Nonlinear PhysicsProbability density functionWhite noiseWhite noiseCondensed Matter PhysicsPath IntegrationNonlinear systemNuclear Energy and EngineeringStructural reliabilityApplied mathematicsFirst passage problemRandom vibrationSettore ICAR/08 - Scienza Delle CostruzioniRandom vibrationCivil and Structural EngineeringMathematicsProbabilistic Engineering Mechanics
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Context-Independent Scatter and Tabu Search for Permutation Problems

2005

In this paper, we develop a general-purpose heuristic for permutations problems. The procedure is based on the scatter-search and tabu-search methodologies and treats the objective-function evaluation as a black box, making the search algorithm context-independent. Therefore, our main contribution consists of the development and testing of a procedure that uses no knowledge from the problem context to search for the optimal solution. We perform computational experiments with four well-known permutation problems to study the efficiency and effectiveness of the proposed method. These experiments include a comparison with two commercially available software packages that are also based on met…

Mathematical optimizationTheoretical computer scienceComputer sciencebusiness.industrySearch-based software engineeringGeneral EngineeringBest-first searchTabu searchBeam searchLocal search (optimization)Guided Local SearchbusinessHill climbingMetaheuristicINFORMS Journal on Computing
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Optimal Paths on Urban Networks Using Travelling Times Prevision

2012

We deal with an algorithm that, once origin and destination are fixed, individuates the route that permits to reach the destination in the shortest time, respecting an assigned maximal travel time, and with risks measure below a given threshold. A fluid dynamic model for road networks, according to initial car densities on roads and traffic coefficients at junctions, forecasts the future traffic evolution, giving dynamical weights to a constrained 𝐾 shortest path algorithm. Simulations are performed on a case study to test the efficiency of the proposed procedure.

Mathematical optimizationTraffic congestion reconstruction with Kerner's three-phase theoryArticle SubjectComputer scienceFluid dynamic model; K shortest path algorithm; Travelling times previsionGeneral EngineeringTraffic simulationK shortest path algorithmMeasure (mathematics)lcsh:QA75.5-76.95Computer Science ApplicationsTraffic congestionFluid dynamic modelModeling and SimulationShortest path problemComputer Science::Networking and Internet Architecturelcsh:Electronic computers. Computer scienceTravelling times previsionDijkstra's algorithmConstrained Shortest Path FirstSimulationTraffic waveModelling and Simulation in Engineering
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Representation of capacity drop at a road merge via point constraints in a first order traffic model

2018

We reproduce the capacity drop phenomenon at a road merge by implementing a non-local point constraint at the junction in a first order traffic model. We call capacity drop the situation in which the outflow through the junction is lower than the receiving capacity of the outgoing road, as too many vehicles trying to access the junction from the incoming roads hinder each other. In this paper, we first construct an enhanced version of the locally constrained model introduced by Haut et al. (Proceedings 16th IFAC World Congress. Prague, Czech Republic 229 (2005) TuM01TP/3), then we propose its counterpart featuring a non-local constraint and finally we compare numerically the two models by c…

Mathematical optimizationTraffic model010103 numerical & computational mathematics01 natural sciencesScalar conservation law; LWR model; traffic flow on networks; point constraint on the flux; finite volumes schemesNOfinite volumes schemes[MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP]point constraint on the flux0101 mathematics[MATH]Mathematics [math]Scalar conservation lawMathematicsLWR modelNumerical AnalysisApplied MathematicsFirst order010101 applied mathematicsFinite volumes schemes; LWR model; Point constraint on the flux; Scalar conservation law; Traffic flow on networksComputational MathematicsModeling and Simulationtraffic flow on networksOutflowfinite volumes schemeMerge (version control)Analysis
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