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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Development of Advanced Numerical Tools for the Nonlinear Seismic Analysis of Nuclear Systems

In the framework of Probabilistic Risk Assessment (PRA) of nuclear facilities, a rigorous dynamic characterization of all structural and non-structural components is of paramount concern. The common features of nuclear facilities lies in the combination of three characteristics: 1. low aspect ratio; 2. large mass; and 3. significant embedment in soil. These characteristics make the interaction between the structural system and the surrounding soil a key aspect to consider for seismic risk evaluations. The methodologies and numerical tools currently in use for simulating the seismic response of a nuclear facility with significant Soil Structure Interaction (SSI) date back to the 1970's and rely on a number of simplifying idealizations, mainly related to the characterization of the incident seismic waveforms, the assumption of linear-elastic behavior of the superstructures, and idealization of equivalent linear behavior of the supporting soils. Given this background and taking advantage of the substantial progress in computational mechanics in the last decades, the ongoing research aims at developing advanced numerical tools for the nonlinear, time history simulation of nuclear facilities. This translates into the availability of a robust nonlinear time-domain simulation tool that can accurately model the nonlinearities of coupled soil-structure systems, and whose development includes robust verification and validation. The work described herein is supported by the U.S. Department of Energy (DOE) and focuses on delivering the next-generation, high performance simulation tool in support of DOE needs and mission. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Parallel Performance of the Time Dependent Transport Code TDKENO with Applications to TREAT Simulations

Renewed interest in high fidelity simulation of excursion events has prompted the improvement of codes that solve the time-dependent Boltzmann transport equation. Often these codes make approximations to the transport equation in order to achieve results in a reasonable amount of time. One method, the improved quasi-static (IQS), makes few approximations compared to adiabatic, diffusion, and point kinetics. This is the methodology employed by the code TDKENO. One downside to this approach is a portion of the calculation (flux shape) is done with a Monte Carlo code and must be called upon several times. To minimize run time the flux shape calculation is solved with a modified version of KENO-VI from Scale 6.2. This version of KENO runs in parallel across hundreds of nodes, thus improving performance. The parallel capabilities of KENO allows TDKENO to simulate complex transient experiments with a large number of histories. These improvements are applied to the simulation of TREAT calibration experiments. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Dakota-MCNP Coupling for Uncertainty Analysis using Polynomial Chaos Expansions

Uncertainty quantification (UQ) seeks to characterize the total uncertainty in a system's response given the cumulative effect of uncertainties found in the physical input parameters. UQ is closely related to, and is often followed by, sensitivity analysis (SA). SA seeks to characterize the contribution individual uncertain parameters have on the total uncertainty in the system. UQ and SA are important, because it is often difficult to establish confidence levels in numerical predictions. This arises due to the differences between noumenal reality and computer modeled simulations. Often, these are due either to a lack of knowledge about the problem being analyzed (epistemic uncertainty), or impracticality associated with modeling and simulating a physical phenomenon sufficiently accurately. It is the primary goal of UQ and SA to first quantify the difference between reality and simulation, and second to determine the significance this difference has on relevant physical responses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Performance of Energy Storage with Nuclear and Renewable Power Systems

Nuclear power represents a traditional baseload power component to the grid, while renewables output variable amounts of power at unpredictable times. Nuclear and renewable energy integration (NREI) systems have previously been explored as valuable additions to the existing power grid. Energy storage systems can allow power plants to store energy mechanically using pumped hydro or compressed air, thermally using liquid salt or steam accumulators, or chemically with batteries. The addition of energy storage to NREI systems can allow for the discharge of electricity to adjust to demands placed on the grid. The allocation of energy to adjust to grid demand is explored through a historical 8,760-hour analysis including nuclear, wind, and solar NREI systems with energy storage. The operation of storage systems is compared through simulations of different storage and discharge parameters based off the maximum daily grid demands, and hourly electricity prices. The overall profitability of storage systems is determined by comparing simulation results for the overall net revenue increases exceeding storage efficiency losses. Several NREI systems have increased the value of electricity for both solar PV and wind energy, in combination with nuclear power. Optimization of these systems is developed using MATLAB code and the simulations of the most profitable results are explored.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Eddy Current Probe Parameters Identification Using a Genetic Algorithm and Simultaneous Perturbation Stochastic Approximation

This study tries to identify the coil parameters using numerical methods. The eddy current testing (ECT) is used for evaluation of a crack with the aid of numerical simulations by utilizing the identification of these parameters. In this study, a comparison of the performance of the GA and SPSA algorithms to identify the parameter values of the coil sensors are presented. So, the optimization probe geometry is introduced in the simulation with Three-dimensional finite element simulations (FLUX finite element code) were conducted to obtain eddy current signals resulting from a crack in a plate made of aluminium. The simulation results are compared with experimental measurements for the defect present in a plate.

42 ENGINEERING↗
DOE OSTI2018

Data-Driven Selection of Tessellation Models Describing Polycrystalline Microstructures

Tessellation models have proven to be useful for the geometric description of grain microstructures in polycrystalline materials. With the use of a suitable tessellation model, the complex morphology of grains can be represented by a small number of parameters assigned to each grain, which not only entails a significant reduction in complexity, but also facilitates the investigation of certain geometric features of the microstructure. However, for a given set of microstructural data, the choice of a particular geometric model is traditionally based on researcher intuition. The model should provide a sufficiently good approximation to the data, while keeping the number of parameters small. In this paper, we discuss general aspects of the process of model selection and suggest several criteria for selecting an appropriate candidate from a certain set of tessellation models. The choice of candidate represents a trade-off between accuracy and complexity of the model. Here, the selected model is used solely to approximate given data samples, but it also provides guidance for developing stochastic tessellation models and generating virtual microstructures. Model fitting is carried out by simulated annealing, applied in a consistent manner to twelve different tessellation models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Exploring the Short-Channel Characteristics of Asymmetric Junctionless Double-Gate Silicon-on-Nothing MOSFET

This paper presents an analytical model of an asymmetric junctionless double-gate (asymmetric DGJL) silicon-on-nothing metal-oxide-semiconductor field-effect transistor (MOSFET). Solving the 2-D Poisson’s equation, the expressions for center potential and threshold voltage are calculated. In addition, the response of the device toward the various short-channel effects like hot carrier effect, drain-induced barrier lowering and threshold voltage roll-off has also been examined along with subthreshold swing and drain current characteristics. Performance analysis of the present model is also demonstrated by comparing its short-channel behavior with conventional DGJL MOSFET. The effect of variation of the device features due to the variation of device parameters is also studied. The simulated results obtained using 2D device simulator, namely ATLAS, are in good agreement with the analytical results, hence validating our derived model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Valuing catastrophe bonds involving correlation and CIR interest rate model

Natural catastrophes lead to problems of insurance and reinsurance industry. Classic insurance mechanisms are often inadequate for dealing with consequences of catastrophic events. Therefore, new financial instruments, including catastrophe bonds (cat bonds), were developed. In this paper we price the catastrophe bonds with a generalized payoff structure, assuming that the bondholder’s payoff depends on an underlying asset driven by a stochastic jump-diffusion process. Simultaneously, the risk-free spot interest rate has also a stochastic form and is described by the multi-factor Cox–Ingersoll–Ross model. We assume the possibility of correlation between the Brownian part of the underlying asset and the components of the interest rate model. Using stochastic methods, we prove the valuation formula, which can be applied to the cat bonds with various payoff functions. We use adaptive Monte Carlo simulations to analyze the numerical properties of the obtained pricing formula for various settings, including some similar to the practical cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Role of quantum statistics in multi-particle decay dynamics

The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Functionalization of SBA-15 mesoporous silica by Cu-phosphonate units: Probing of synthesis route

Mesoporous silica SBA-15 containing propyl-copper phosphonate units was investigated. The structure of mesoporous samples was tested by N{sub 2} isothermal sorption (BET and BHJ analysis), TEM microscopy and X-Ray scattering. Quantitative analysis EDX has given information about proportions between component atoms in the sample. Quantitative elemental analysis has been carried out to support EDX. To examine bounding between copper atoms and phosphonic units the Raman spectroscopy was carried out. As a support of Raman scattering, the theoretical calculations were made based on density functional theory, with the B3LYP method. By comparison of the calculated vibrational spectra of the molecule with experimental results, distribution of the active units inside silica matrix has been determined. - Graphical abstract: The present study is devoted to mesoporous silica SBA-15 containing propyl-copper phosphonate units. The species were investigated to confirm of synthesis procedure correctness by the micro-Raman technique combined with DFT numerical simulations. Complementary research was carried out to test the structure of mesoporous samples. - Highlights: • SBA-15 silica functionalized with propyl-copper phosphonate units was synthesized. • Synthesis efficiency probed by Raman study supported with DFT simulations. • Homogenous distribution of active units was proved. • Synthesis route enables precise control of distance between copper ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

'Abnormal' angle response curves of TW/Rs for near zero tilt and high tilt channeling implants

Angle control has been widely accepted as the key requirement for ion implantation in semiconductor device processing. From an ion implanter point of view, the incident ion direction should be measured and corrected by suitable techniques, such as XP-VPS for the VIISta implanter platform, to ensure precision ion placement in device structures. So called V-curves have been adopted to generate the wafer-based calibration using channeling effects as the Si lattice steer ions into a channeling direction. Thermal Wave (TW) or sheet resistance (Rs) can be used to determine the minimum of the angle response curve. Normally it is expected that the TW and Rs have their respective minima at identical angles. However, the TW and Rs response to the angle variations does depend on factors such as implant species, dose, and wafer temperature. Implant damage accumulation effects have to be considered for data interpretation especially for some 'abnormal' V-curve data. In this paper we will discuss some observed 'abnormal' angle responses, such as a) TW/Rs reverse trend for Arsenic beam, 2) 'W' shape of Rs Boron, and 3) apparent TW/Rs minimum difference for high tilt characterization, along with experimental data and TCAD simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Simulation of periodically focused, adiabatic thermal beams

Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K.R. Samokhvalova, J. Zhou and C. Chen, Phys. Plasma 14, 103102 (2007); J. Zhou, K.R. Samokhvalova and C. Chen, Phys. Plasma 15, 023102 (2008)]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam is found be stable in the parameter regime where the simulations are performed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Sponge-like Si-SiO{sub 2} nanocomposite—Morphology studies of spinodally decomposed silicon-rich oxide

Sponge-like Si nanostructures embedded in SiO{sub 2} were fabricated by spinodal decomposition of sputter-deposited silicon-rich oxide with a stoichiometry close to that of silicon monoxide. After thermal treatment a mean feature size of about 3 nm was found in the phase-separated structure. The structure of the Si-SiO{sub 2} nanocomposite was investigated by energy-filtered transmission electron microscopy (EFTEM), EFTEM tomography, and atom probe tomography, which revealed a percolated Si morphology. It was shown that the percolation of the Si network in 3D can also be proven on the basis of 2D EFTEM images by comparison with 3D kinetic Monte Carlo simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Cluster synchronization induced by one-node clusters in networks with asymmetric negative couplings

This paper deals with the problem of cluster synchronization in networks with asymmetric negative couplings. By decomposing the coupling matrix into three matrices, and employing Lyapunov function method, sufficient conditions are derived for cluster synchronization. The conditions show that the couplings of multi-node clusters from one-node clusters have beneficial effects on cluster synchronization. Based on the effects of the one-node clusters, an effective and universal control scheme is put forward for the first time. The obtained results may help us better understand the relation between cluster synchronization and cluster structures of the networks. The validity of the control scheme is confirmed through two numerical simulations, in a network with no cluster structure and in a scale-free network.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Application of MMC model on simulation of shearing process of thick hot-rolled high strength steel plate

Shear operation is widely used as the first step in sheet metal forming to cut the sheet or plate into the required size. The shear of thick hot-rolled High Strength Steel (HSS) requires large shearing force and the sheared edge quality is relatively poor because of the large thickness and high strength compared with the traditional low carbon steel. Bad sheared edge quality will easily lead to edge cracking during the post-forming process. This study investigates the shearing process of thick hot-rolled HSS plate metal, which is generally exploited as the beam of heavy trucks. The Modified Mohr-Coulomb fracture criterion (MMC) is employed in numerical simulation to calculate the initiation and propagation of cracks during the process evolution. Tensile specimens are designed to obtain various stress states in tension. Equivalent fracture strains are measured with Digital Image Correlation (DIC) equipment to constitute the fracture locus. Simulation of the tension test is carried out to check the fracture model. Then the MMC model is applied to the simulation of the shearing process, and the simulation results show that the MMC model predicts the ductile fracture successfully.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Diffraction-induced subradiant transverse-magnetic lattice plasmon modes in metal nanoparticle arrays

This Letter reports theoretical and experimental study of transverse-magnetic-like lattice plasmon modes originating from diffraction in periodic two dimensional arrays of metal nanoparticles. These modes lead to the transmission and reflection spectra exhibiting narrow linewidth Fano-like resonances which can appear as maxima, minima, or can have asymmetric peak-and-dip profile. The dependencies of the position and lineshape of the resonance on the lattice periodicity and angle of incidence are investigated. Numerical simulations of electric field distributions for different excitation conditions of lattice plasmon modes are also performed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Model reduction for slow–fast stochastic systems with metastable behaviour

The quasi-steady-state approximation (or stochastic averaging principle) is a useful tool in the study of multiscale stochastic systems, giving a practical method by which to reduce the number of degrees of freedom in a model. The method is extended here to slow–fast systems in which the fast variables exhibit metastable behaviour. The key parameter that determines the form of the reduced model is the ratio of the timescale for the switching of the fast variables between metastable states to the timescale for the evolution of the slow variables. The method is illustrated with two examples: one from biochemistry (a fast-species-mediated chemical switch coupled to a slower varying species), and one from ecology (a predator–prey system). Numerical simulations of each model reduction are compared with those of the full system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A new equation of state with light nuclei and their weak interactions in core-collapse supernova simulations

We perform numerical experiments to investigate the influence of inelastic neutrino reactions with light nuclei on the standing accretion shock instability. The time evolutions of shock waves are calculated with a simple light-bulb approximation for the neutrino transport and a multi-nuclei equation of state. The neutrino absorptions and inelastic interactions with deuterons, tritons, helions and alpha particles are taken into account in the hydrodynamical simulations in addition to the ordinary charged-current interactions with nucleons. Axial symmetry is assumed but no equatorial symmetry is imposed. We show that the heating rates of deuterons reach as high as ∼ 10% of those of nucleons around the bottom of the gain region. On the other hands, alpha particles heat the matter near the shock wave, which is important when the shock wave expands and density and temperature of matter become low. It is also found that the models with heating by light nuclei have different evolutions from those without it in non-linear evolution phase. The matter in the gain region has various densities and temperatures and there appear regions that are locally rich in deuterons and alpha particles. These results indicate that the inelastic reactions of light nuclei, especially deuterons, should be incorporated in the simulations of core-collapse supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗