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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2026

A Monte Carlo Laplace Transform Estimator for Radiation Transport

This work formulates and implements a Laplace transform estimator in a simple Monte Carlo radiation transport code. The estimator maps flux-based quantities of interest, like reaction rates, from a desired phase-space dimension to the complex Laplace domain. This on-the-fly Monte Carlo integration technique enables the spectral analysis of arbitrary nuclear systems via the Laplace transform. A simple code tests the estimator in neutron slowing-down problems across various infinite media, and the results compare well with Ganapol’s uninverted analytical solution of the neutron slowing-down equation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Laplace Transform–Based Quantum Eigenvalue Transformation via Linear Combination of Hamiltonian Simulation

Eigenvalue transformations, which include solving time-dependent differential equations as a special case, have a wide range of applications in scientific and engineering computation. While quantum algorithms for singular value transformations are well studied, eigenvalue transformations are distinct, especially for nonnormal matrices. Here, we propose an efficient quantum algorithm for performing a class of eigenvalue transformations that can be expressed as a certain type of matrix Laplace transformation. This allows us to significantly extend the recently developed linear combination of Hamiltonian simulation method [D. An, J.-P. Liu, and L. Lin, Phys. Rev. Lett., 131 (2023), 150603; D. An, A. M. Childs, and L. Lin, Commun. Math. Phys. 407, 19 (2026)] to represent a wider class of eigenvalue transformations, such as powers of the matrix inverse, 𝐴 −𝑘 , and the exponential of the matrix inverse, 𝑒 −𝐴 −1 . The latter can be interpreted as the solution of a mass-matrix differential equation of the form form 𝐴⁢𝑢′⁡⁡(𝑡) =−𝑢⁡(𝑡). We demonstrate that our eigenvalue transformation approach can solve this problem without explicitly inverting 𝐴, thereby reducing the computational complexity.

Laplace transform↗
DOE OSTI2017

The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method

The divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-RI-MP2) theory method introduced in Baudin et al. [J. Chem. Phys. 144, 054102 (2016)] is greatly improved by introducing the Laplace transform of the orbital energy denominator in order to construct the double amplitudes directly in the local basis. Moreover, our paper introduces the auxiliary reduction procedure, which reduces the set of the auxiliary functions employed in the individual fragments. The resulting Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation method is applied to the insulin molecule where we obtain a factor 9.5 speedup compared to the DEC-RI-MP2 method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators

We present a robust and non-heuristic algorithm that finds all extremum points of the error distribution function of numerically Laplace-transformed orbital energy denominators. The extremum point search is one of the two key steps for finding the minimax approximation. If pre-tabulation of initial guesses is supposed to be avoided, strategies for a sufficiently robust algorithm have not been discussed so far. We compare our non-heuristic approach with a bracketing and bisection algorithm and demonstrate that 3 times less function evaluations are required altogether when applying it to typical non-relativistic and relativistic quantum chemical systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A ONE-WAY COUPLED FAST BURST REACTOR BENCHMARK THROUGH LAPLACE TRANSFORM

In several previous publications, a slab Fast Burst Reactor (FBR), characterized by four non-linear coupled transient conservation equations for the neutron flux ?, material density and displacement ?, u and temperature T, is considered. In this work, before addressing a simplified benchmark version, we revisit the consistency of the four conservation equations. We then develop a One-Way Coupled (OWC) high precision linear benchmark in preparation for full FBR non-linear multiphysics. As will be shown, the importance of the OWC benchmark enables a direct comparison with a MOOSE? based simulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Machine-learning-based inversion of nuclear responses

A microscopic description of the interaction of atomic nuclei with external electroweak probes is required for elucidating aspects of short-range nuclear dynamics and for the correct interpretation of neutrino oscillation experiments. Nuclear quantum Monte Carlo methods infer the nuclear electroweak response functions from their Laplace transforms. Inverting the Laplace transform is a notoriously ill-posed problem; and Bayesian techniques, such as maximum entropy, are typically used to reconstruct the original response functions in the quasielastic region. In this work, we present a physics-informed artificial neural network architecture suitable for approximating the inverse of the Laplace transform. Utilizing simulated, albeit realistic, electromagnetic response functions, we show that this physics-informed artificial neural network outperforms maximum entropy in both the low-energy transfer and the quasielastic regions, thereby allowing for robust calculations of electron scattering and neutrino scattering on nuclei and inclusive muon capture rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Semi-numerical solution to a fractal telegraphic dual-porosity fluid flow model

We present a semi-numerical solution to a fractal telegraphic dual-porosity fluid flow model. It combines Laplace transform and finite difference schemes. The Laplace transform handles the time variable whereas the finite difference method deals with the spatial coordinate. This semi-numerical scheme is not restricted by space discretization and allows the computation of a solution at any time without compromising numerical stability or the mass conservation principle. Our formulation results in a non-analytically-solvable second-order differential equation whose spatial discretization yields a tridiagonal linear algebraic system. Moreover, we describe comparisons between semi-numerical and semi-analytical solutions for particular cases. Results agree well with those from semi-analytic solutions. Furthermore, we expose a parametric analysis from the coupled model in order to show the effects of relevant parameters on pressure profiles and flow rates for the case where neither analytic nor semi-analytic solutions are available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Analytic Solution for Time-Dependent Neutron Transport with Delayed Neutrons via Singular Eigenfunction Expansion

An important way to verify the proper functioning of a computer code, and its underlying numerical schemes, is by comparing numerical results generated with the code to an analytic solution. To this end, we present an analytic solution for time-dependent neutron transport with delayed neutrons, which can be used to verify computer codes for modeling reactor kinetics phenomena. To develop our analytic solution, we use the singular eigenfunction expansion method. Ganapol et al. have also developed a solution to this problem, but by using the multiple collision technique. Our approach has certain advantages with respect to this previous work, in particular that it yields a closed form (i.e., in terms of an integral rather than an infinite series) explicit expression for the angular flux (i.e., instead of just the scalar flux or the angular flux at a single spatial point). In addition, Su and Olson have presented an analytic solution for a very similar problem: non-equilibrium radiative transfer. Their approach involves a Laplace transform, which they invert by showing there are no singularities in the right complex plane of the Laplace transform parameter and then simply choosing the Bromwich contour as the imaginary axis. To extend this previous work to our case, we would further need to exclude supercritical problems in order to use the same contour. The resulting analytic solution would then be of limited interest. In contrast, our analytic solution is completely general with respect to sub, delayed super, or prompt supercriticality. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Second Order System Study

During my education in mathematics, engineering and physics, I learned transform pairs and their usage mechanics but I never remember seeing the derivations of the solutions to second order ordinary differential equations (ODE) and difference equations. A solution to a question posed in a potential funder meeting put me on a path to solving second order systems using the five principal Fourier based methods: Fourier transform (FT), Z-transform (ZT), discrete time Fourier transform (DTFT), discrete Fourier transform (DFT) and Laplace transform (LT).

42 ENGINEERING↗
DOE OSTI2026

Spectral deconvolution without the deconvolution: Extracting temperature from x-ray Thomson scattering spectra without the source-and-instrument function

X-ray Thomson scattering (XRTS) probes the dynamic structure factor of the system, but the measured spectrum is broadened by the combined source-and-instrument function (SIF) of the setup. In order to extract properties such as temperature from an XRTS spectrum, the broadening by the SIF needs to be removed. Recent work [Dornheim et al. Nat. Commun. 13 , 7911 (2022)] has suggested that the SIF may be deconvolved using the two-sided Laplace transform. However, the extracted information can depend strongly on the shape of the input SIF, and the SIF is in practice challenging to measure accurately. Here, we propose an alternative approach: we demonstrate that considering ratios of Laplace-transformed XRTS spectra collected at different scattering angles is equivalent to performing the deconvolution, but without the need for explicit knowledge of the SIF. From these ratios, it is possible to directly extract the temperature from the scattering spectra, when the system is in thermal equilibrium. We find the method to be generally robust to spectral noise and physical differences between the spectrometers, and we explore situations in which the method breaks down. Furthermore, the fact that consistent temperatures can be extracted for systems in thermal equilibrium indicates that non-equilibrium effects could be identified by inconsistent temperatures of a few eV between the ratios of three or more scattering angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

On Integral of a Semi-Markov Diffusion Process

Let (X(t)) (t ≥ 0) be a semi-Markov diffusion process. The process (J(T )) (T ≥ 0) equal to the integral of (X(t)) on interval [0, T ) is studied. The relation between one-dimensional differential equation of the second order of elliptical type and asymptotics of a solution to Dirichlet problem on an interval with length tending to zero is established. This relation is used to derive a differential equation for the Laplace transform of the semi-Markov generating function of the process (J(t)).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Markov and semi-Markov processes as a failure rate

In this paper the reliability function is defined by the stochastic failure rate process with a non negative and right continuous trajectories. Equations for the conditional reliability functions of an object, under assumption that the failure rate is a semi-Markov process with an at most countable state space are derived. A proper theorem is presented. The linear systems of equations for the appropriate Laplace transforms allow to find the reliability functions for the alternating, the Poisson and the Furry-Yule failure rate processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Boundary node Petrov–Galerkin method in solid structures

Based on the interpolation of the Lagrange series and the Finite Block Method (FBM), the formulations of the Boundary Node Petrov–Galerkin Method (BNPGM) are presented in the weak form in this paper and their applications are demonstrated to the elasticity of functionally graded materials, subjected to static and dynamic loads. By introducing the mapping technique, a block of quadratic type is transformed from the Cartesian coordinate to the normalized coordinate with 8 seeds for two-dimensional problems. The first-order partial differential matrices of boundary nodes are obtained in terms of the nodal values of the boundary node, which can be utilized to determine the tractions on the boundary. Time-dependent partial differential equations are analyzed in the Laplace transformed domain and the Durbin’s inversion method is applied to determine the physical values in the time domain. Illustrative numerical examples are given and comparison has been made with the analytical solutions, the Boundary Element Method (BEM) and the Finite Element Method (FEM).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Effects of Dufour and fractional derivative on unsteady natural convection flow over an infinite vertical plate with constant heat and mass fluxes

In this paper, we analyze the effects of Dufour number and fractional-order derivative on unsteady natural convection flow of a viscous and incompressible fluid over an infinite vertical plate with constant heat and mass fluxes. The fractional constitutive model is obtained using fractional calculus approach. The Caputo fractional derivative operator is used in this problem. The dimensionless system of equations has been solved by employing Laplace transformation technique. Closed form solutions for concentration, temperature and velocity are presented in the form of Wright function and complementary error function. Effects of fractional and physical parameters on temperature and velocity profiles are illustrated graphically.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

The nonsinglet structure function evolution by Laplace method

We derive a general scheme for the evolution of the nonsinglet structure function at the leadingorder (LO) and next-to-leading-order (NLO) by using the Laplace-transform technique. Results for the nonsinglet structure function are compared with MSTW2008, GRV, and CKMT parameterizations and also EMC experimental data in the LO and NLO analysis. The results are in good agreement with the experimental data and other parameterizations in the low- and large-x regions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗