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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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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Micropolar Elastoplasticity Using a Fast Fourier Transform‐Based Solver

ABSTRACT This work presents a micromechanical spectral formulation for obtaining the full‐field and homogenized response of elastoplastic micropolar composites. A closed‐form radial‐return mapping is derived from thermodynamics‐based micropolar elastoplastic constitutive equations to determine the increment of plastic strain necessary to return the generalized stress state to the yield surface, and the algorithm implementation is verified using the method of numerically manufactured solutions. Then, size‐dependent material response and micro‐plasticity are shown as features that may be efficiently simulated in this micropolar elastoplastic framework. The computational efficiency of the formulation enables the generation of large datasets in reasonable computing times.

42 ENGINEERING↗
DOE OSTI2024

Generalized boost transformations in finite volumes and application to Hamiltonian methods

The investigation of hadron interactions within lattice QCD has been facilitated by the well-known quantisation condition, linking scattering phase shifts to finite-volume energies. Additionally, the ability to utilise systems at finite total boosts has been pivotal in smoothly charting the energy-dependent behaviour of these phase shifts. The existing implementations of the quantization condition at finite boosts rely on momentum transformations between rest and moving frames, defined directly in terms of the energy eigenvalues. This energy dependence is unsuitable in the formulation of a Hamiltonian. In this work, we introduce a novel approach to generalise the three-momentum boost prescription, enabling the incorporation of energy-independent finite-volume Hamiltonians within moving frames. We demonstrate the application of our method through numerical comparisons, employing a phenomenological ππ scattering example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Fluorescence Correlation Spectroscopy with Photobleaching Correction in Slowly Diffusing Systems

Fluorescence correlation spectroscopy (FCS) is a powerful tool to quantitatively study the diffusion of fluorescently labeled molecules. It allows in principle important questions of macromolecular transport and supramolecular aggregation in living cells to be addressed. However, the crowded environment inside the cells slows diffusion and limits the reservoir of labeled molecules, causing artifacts that arise especially from photobleaching and limit the utility of FCS in these applications. We present a method to compute the time correlation function from weighted photon arrival times, which compensates computationally during the data analysis for the effect of photobleaching. We demonstrate the performance of this method using numerical simulations and experimental data from model solutions. Using this technique, we obtain correlation functions in which the effect of photobleaching has been removed and in turn recover quantitatively accurate mean-square displacements of the fluorophores, especially when deviations from an ideal Gaussian excitation volume are accounted for by using a reference calibration correlation function. This allows quantitative FCS studies of transport processes in challenging environments with substantial photobleaching like in living cells in the future.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Magnetic Field Effects on Transport Through a Strongly Correlated Dot Coupled to Luttinger Leads

The effects of the magnetic field and intralead electron interaction on the transport have been investigated in the Kondo regime by means of the nonequilibrium Green functions with the equation of motion method. The numerical results show that for weak intralead interaction, in addition to the Kondo dip zero bias, the differential conductance shows two peaks separated from the origin by the Zeeman energy. When the intralead interaction becomes moderately strong, the Zeeman splitting peaks turn into Zeeman splitting dips. With the further increase in the intralead interaction, all the dips disappear and the differential conductance is characterized by a power law scaling in bias voltage in the limit of the strong intralead interaction. Our results are valuable for analyzing transport in carbon nanotubes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Study of Creep and Damage for a Hollow Cylinder on the Basis of Space and Refined Shell Models

We consider the axisymmetric problem of creep and creep damage of a hollow cylinder and develop a numerical-analytic method for the solution of this nonlinear initial-boundary-value problem. We also present an example of evaluation of creep and the time to fracture for a cylinder loaded by internal pressure. The results accumulated by using a three-dimensional model are compared with the data obtained on the bases of the refined model of the theory of shells.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Calculation of machine precision second order derivatives using dual-complex numbers

It is well known that both complex and dual numbers can be employed to obtain machine precision first-order derivatives; however, neither, on their own, can compute machine precision 2nd order derivatives. To address this limitation, it is demonstrated in this paper that combined dual-complex numbers can be used to compute machine precision 1st and 2nd order derivatives. The dual-complex approach is simpler than utilizing multicomplex or hyper-dual numbers as existing dual libraries can be used as is or easily augmented to accept complex numbers, and the complexity of developing, integrating, and deploying multicomplex or hyper-dual libraries is avoided. The efficacy of this approach is demonstrated for both univariate and multivariate functions. Finally, source code examples using the Python, Julia, and Mathematica languages are provided as supplemental material.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

On semi-convergence and inexact iteration of the GSS iteration method for nonsymmetric singular saddle point problems

In this paper, the generalized shift-splitting (GSS) iteration method is used to solve nonsymmetric singular saddle point systems with the positive real (1, 1)-block sub-matrix. By a careful analysis of the spectral properties of the corresponding iteration matrix, we investigate the semi-convergence property of the GSS iteration method, give the sharper bounds of the eigenvalues for the GSS iteration method and propose the inexact GSS iteration method, also. Numerical experiments are given to show the correctness of the theoretical analysis and the feasibility of the GSS preconditioner with appropriate parameters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Fractional analog of a chemical system inspired by Braess’ paradox

In this paper, we introduce the fractional analog of a chemical model arouse from a mathematical paradox attributed to Dietrich Braess. Two basic examples which serve fractional kinetic models as better suited models to the real data sets than the integer-order counterparts are given. Existence and uniqueness of the rebuilt model’s solutions are proved. It is shown that asymptotic stability conditions of the solutions are provided. A comparison is made between two different solution methods and numerical simulations are also presented to exemplify the mathematical outcomes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Tailoring the response of Autonomous Reactivity Control (ARC) systems

The Autonomous Reactivity Control (ARC) system was developed to ensure inherent safety of Generation IV reactors while having a minimal impact on reactor performance and economic viability. In this study we present the transient response of fast reactor cores to postulated accident scenarios with and without ARC systems installed. Using a combination of analytical methods and numerical simulation, the principles of ARC system design that assure stability and avoids oscillatory behavior have been identified. A comprehensive transient analysis study for ARC-equipped cores, including a series of Unprotected Loss of Flow (ULOF) and Unprotected Loss of Heat Sink (ULOHS) simulations, were performed for Argonne National Laboratory (ANL) Advanced Burner Reactor (ABR) designs. With carefully designed ARC-systems installed in the fuel assemblies, the cores exhibit a smooth non-oscillatory transition to stabilization at acceptable temperatures following all postulated transients. To avoid oscillations in power and temperature, the reactivity introduced per degree of temperature change in the ARC system needs to be kept below a certain threshold the value of which is system dependent, the temperature span of actuation needs to be as large as possible.

ARC↗
DOE OSTI2019

Dry cask radiation shielding validation and estimation of cask surface dose rate with MAVRIC during long-term storage

The dry storage cask became a semi-permanent solution for spent nuclear fuel since no permanent solution has been finalized over the past three decades. Considering the difficulty of deep geological repository projects in many aspects, prolonging the service life of dry casks longer than a few decades has become an option for spent nuclear fuel storage. It must be ensured that dry cask safety objectives, including radiation shielding, criticality safety, structure health, decay heat removal, and containment be fulfilled during the prolonged service life. This paper presents numerical modeling results of the radiation dose rate distribution on a TN-32 cask surface aged up to 300 years. The numerical modeling method was validated with measurement data, and the difference between the calculated results and measurement data in the total dose rate is 7%. The detailed radiation distribution variations over cask surfaces along the axial and radial directions for 300 years of storage were obtained, and their azimuthal angular dependence was established. The maximum total dose rate over the cask surfaces is less than 10 mrem/hour (9.258 ± 0.212 mrem/hour) after 40 years, and this outcome fulfills all dose rate requirements from 10 CFR 71.47(b). After 300 years of storage, the average total dose rates on the side surface and top surface are 0.150 ± 0.007mremmrem/hour and 0.057 ± 0.003mremmrem/hour, respectively, while the maxima are 0.601 ± 0.014 mrem/hour and 0.112 ± 0.006 mrem/hour, respectively. The variations in the fuel gamma ray, structure gamma ray, neutron and secondary gamma-ray contributions to the total dose rate are presented and analyzed in this work. The neutron and gamma-ray dose rate contributions by energy group are presented and analyzed at the cask top, mid-plane, and bottom at the selected storage times.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Rare transition event with self-consistent theory of large-amplitude collective motion

A numerical simulation method, based on Dang et al.’s self-consistent theory of large-amplitude collective motion, for rare transition events is presented. The method provides a one-dimensional pathway without knowledge of the final configuration, which includes a dynamical effect caused by not only a potential but also kinetic term. Although it is difficult to apply the molecular dynamics simulation to a narrow-gate potential, the method presented is applicable to the case. A toy model with a high-energy barrier and/or the narrow gate shows that while the Dang et al. treatment is unstable for a changing of model parameters, our method stable for it.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Implementing phase-covariant cloning in circuit quantum electrodynamics

An efficient scheme is proposed to implement phase-covariant quantum cloning by using a superconducting transmon qubit coupled to a microwave cavity resonator in the strong dispersive limit of circuit quantum electrodynamics (QED). By solving the master equation numerically, we plot the Wigner function and Poisson distribution of the cavity mode after each operation in the cloning transformation sequence according to two logic circuits proposed. The visualizations of the quasi-probability distribution in phase-space for the cavity mode and the occupation probability distribution in the Fock basis enable us to penetrate the evolution process of cavity mode during the phase-covariant cloning (PCC) transformation. With the help of numerical simulation method, we find out that the present cloning machine is not the isotropic model because its output fidelity depends on the polar angle and the azimuthal angle of the initial input state on the Bloch sphere. The fidelity for the actual output clone of the present scheme is slightly smaller than one in the theoretical case. The simulation results are consistent with the theoretical ones. This further corroborates our scheme based on circuit QED can implement efficiently PCC transformation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Scattering and absorption of massless scalar waves by Born–Infeld black holes

We present the results of a study of the scattering of massless planar scalar waves by a Born–Infeld black hole. The scattering and absorption cross sections are calculated using partial-wave methods. The numerical results are checked by reproducing those of the Reissner–Nordstrom black hole, and also using several approximations, with which our results are in very good agreement. The dependence of these phenomena on the effective potential, the charge of the black hole, and the value of the Born–Infeld parameter is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A high-order vertex-based central ENO finite-volume scheme for three-dimensional compressible flows

High-order discretization methods offer the potential to reduce the computational cost associated with modeling compressible flows. However, it is difficult to obtain accurate high-order discretizations of conservation laws that do not produce spurious oscillations near discontinuities, especially on multi-dimensional unstructured meshes. A novel, high-order, central essentially non-oscillatory (CENO) finite-volume method that does not have these difficulties is proposed for tetrahedral meshes. The proposed unstructured method is vertex-based, which differs from existing cell-based CENO formulations, and uses a hybrid reconstruction procedure that switches between two different solution representations. It applies a high-order k-exact reconstruction in smooth regions and a limited linear reconstruction when discontinuities are encountered. Both reconstructions use a single, central stencil for all variables, making the application of CENO to arbitrary unstructured meshes relatively straightforward. The new approach was applied to the conservation equations governing compressible flows and assessed in terms of accuracy and computational cost. For all problems considered, which included various function reconstructions and idealized flows, CENO demonstrated excellent reliability and robustness. Up to fifth-order accuracy was achieved in smooth regions and essentially non-oscillatory solutions were obtained near discontinuities. The high-order schemes were also more computationally efficient for high-accuracy solutions, i.e., they took less wall time than the lower-order schemes to achieve a desired level of error. In one particular case, it took a factor of 24 less wall-time to obtain a given level of error with the fourth-order CENO scheme than to obtain the same error with the second-order scheme.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A numerical Bayesian-calibrated characterization method for multiscale prepreg preforming simulations with tension-shear coupling

We report that carbon fiber reinforced plastics (CFRPs) are attracting growing attention in industry because of their enhanced properties. Preforming of thermoset carbon fiber prepregs is one of the most common production techniques of CFRPs. To simulate preforming, several computational methods have been developed. Most of these methods, however, obtain the material properties directly from experiments such as uniaxial tension and bias-extension where the coupling effect between tension and shear is not considered. Neglecting this coupling effect deteriorates the prediction accuracy of simulations. To address this issue, we develop a Bayesian model calibration and material characterization approach in a multiscale finite element preforming simulation framework that utilizes mesoscopic representative volume element (RVE) to account for the tension-shear coupling. A new geometric modeling technique is first proposed to generate the RVE corresponding to the close-packed uncured prepreg. This RVE model is then calibrated with a modular Bayesian approach to estimate the yarn properties, test its potential biases against the experiments, and fit a stress emulator. Finally, the predictive capability of this multiscale approach is further demonstrated by employing the stress emulator in the macroscale preforming simulation which shows that this approach can provide accurate predictions.

36 MATERIALS SCIENCE↗