SEARCH · Engineering Papers

Results for “Convergence analysis”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,333 records · Page 74

All sources NASA NTRS DOE OSTI

DOE OSTI2018

Aerosol and Urban Land Use Effect on Rainfall Around Cities in Indo-Gangetic Basin From Observations and Cloud Resolving Model Simulations

For this research, coupling of urban land use land cover (LULC) and aerosol loading on rainfall around cities in the Gangetic Basin (GB) is examined here. Long-term observations illustrate more rainfall at urban core and climatological downwind regions compared to the upwind regions of Kanpur, a metropolitan located in central GB. In addition, analysis of a 15-day cloud resolving simulation using the Weather Research and Forecasting (WRF) model also illustrated similar rainfall pattern around other major cities in the GB. Interestingly, the enhancement of downwind rainfall was greater than that over urban regions, and it was positively associated with both the urban area of the city and ambient aerosol loading during the propagating storm. Further, to gain a process-level understanding, a typical storm that propagated northwestward across Kanpur was simulated using WRF under three different scenarios. Case 1 has realistic LULC representation of Kanpur, while the grids representing the Kanpur urban region were replaced by cropland LULC pattern in case 2. Comparison illustrated that urban heat island effect caused convergence of winds and moisture in the lower troposphere, which enhances convection over urban region and induced more rainfall over the urban core compared to upwind regions. Case 3 is similar to case 1 but lower aerosol concentration (by a factor of 100) over the storm region. Lastly, analysis show that aerosol induced microphysical changes delay the initiation of warm rain (over the upwind region) but enhance ice-phase particle formation in latter stages (over the urban and downwind regions) resulting in increase in downwind rainfall.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Robustness to hydrodynamic instabilities in indirectly driven layered capsule implosions

Here, we report on a high convergence ratio liquid layer capsule implosion performed on the National Ignition Facility and contrast it to two previously reported layered implosions, in order to better understand how the capsule design impacts the hydrodynamic stability properties of implosions. Three implosions were performed with similar convergence ratios, fuel entropy, in-flight aspect ratios, and unablated shell mass; these qualities are important for determining hydrodynamic stability. Nevertheless, while two of these implosions exhibited robustness to asymmetries, including our recent experiment that had abnormally large amplitude long-wavelength capsule asymmetries, and produced more than 80% or the yield predicted by one-dimensional (1D) simulations, which do not account for the impacts of hydrodynamic instabilities, the third implosion produced only 14% of the yield from a 1D simulation. We perform a detailed computational analysis of these three shots, which suggests that the combination of several large asymmetry seeds result in the significantly degraded performance: a large 30 μm fill tube, the presence of a microstructure in the high density carbon ablator, and a higher level of drive asymmetry. This indicates that while it is possible to stabilize a high convergence ratio implosion through various means, the factors that determine stability cannot be considered independently. Furthermore, when these asymmetries are combined in 2D simulations, they can exhibit destructive interference and underpredict the yield degradation compared to experiment and three-dimensional simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1972

Buckling and vibration analysis for stiffened orthotropic shells of revolution.

Development of a numerical method, using the multistep integration approach, in which the buckling and vibration analyses are formulated as a succession of linear eigenvalue problems. The method does not require an estimate of the eigenvector, and once an eigenvalue has been converged good estimates for other eigenvalues are automatically available. This is accomplished through the use of an in-core Householder scheme for solution of the eigenvalue problem. Furthermore, since the method uses an eigenvalue solution, the possibility of missing modes is eliminated.

Svalbonas, V.↗

NASA NTRS1984

An investigation of the transient thermal analysis of spur gears

A finite element computer program is developed for evaluating the transient behavior of surface temperature in high performance spur gears. The time dimension is implemented using two and three point finite difference schemes. The different schemes are provided for the purpose of numerical stability and convergence studies. A detailed explanation of the gear cooling process leading to the establishment of a modified Blok model is also included. Other conventional models for approximating the heat transfer coefficients are available for comparison. Preliminary results are given showing snap shots of gear temperature contours at the initial stages of tooth engagement.

El-Bayoumy, L. E.↗

NASA NTRS1984

Transonic cascade flow analysis using viscous/inviscid coupling concepts

Transonic two-dimensional cascade flows have been analyzed using viscous/inviscid coupling concepts. A full potential cascade code is coupled with an inverse integral boundary layer/wake method that permits calculation of separated laminar or turbulent flow. The semi-inverse coupling method of Wigton converges slowly in the case of a strong shock in the region between the shock and the trailing edge. The location of a strong shock is not well predicted by the coupling method, which indicates the need for an entropy correction in the potential code or the inclusion of a shock-boundary layer interaction module.

Olling, C. R.↗

NASA NTRS1985

An investigation of the transient thermal analysis of spur gears

El-Bayoumy, L. E.↗

DOE OSTI2023

FINITE ELEMENT MODEL MESH REFINEMENT EFFECTS ON QUALIFICATION OF NUCLEAR GRADE GRAPHITE COMPONENTS

The American Society of Mechanical Engineers (ASME) provides the full and simplified design-by-analysis probabilistic assessments for determining acceptance of nuclear grade graphite core components. The assessments can be characterized by three parts: (1) a component stress distribution, often determined by a finite element (FE) model; (2) a Weibull probability density function (pdf) that characterizes the experimental tensile strength distribution; and (3) the post-processor, which combines the FE model and the Weibull strength distribution in accordance with the full and simplified assessments to determine component acceptance. It is known that the level of mesh refinement in FE models can affect the modeled component’s calculated stress distribution. Depending on the component geometry, the stress distribution may converge with sufficient refinement. It was previously unknown whether the acceptance decision resulting from the full and simplified assessments might change even with sufficient mesh refinement. This study explores that question using experimental strength results for a dog-bone geometry for two graphite grades, IG-110 and PCEA. The simplified assessment has two criteria that must be met, the first limits the combined membrane stress by the allowable stress and the second limits the peak equivalent stress by the allowable stress scaled by the ratio of flexural to tensile strength. In the application of the simplified assessment, convergence of the peak equivalent stress required extreme mesh refinement, however, the acceptance decision was not affected. It is hypothesized that more complex geometries with stress concentrations may present mesh refinement effects on the simplified assessment acceptance decision. Mesh refinement did affect the acceptance decision in the full assessment for the applied pressure loadings in this study. This work suggests component stress distribution convergence is not a sufficient criteria for POF convergence in the full assessment and that mesh refinement should continue until the POF has converged, especially where the resulting POF is bordering the SRC acceptable POF limit.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Analyzing rotational bands in odd-mass nuclei using effective field theory and Bayesian methods

We recently developed an Effective Field Theory (EFT) for rotational bands in odd-mass nuclei. Here we use EFT expressions to perform a Bayesian analysis of data on the rotational energy levels of 99 Tc, 155,157 Gd, 159 Dy, 167,169 Er, 167,169 Tm, 183 W, 235 U and 239 Pu. The error model in our Bayesian analysis includes both experimental and EFT truncation uncertainties. It also accounts for the fact that low-energy constants (LECs) at even and odd orders are expected to have different sizes. We use Markov Chain Monte Carlo (MCMC) sampling to explore the joint posterior of the EFT and error-model parameters and show both the LECs and the breakdown scale can be reliably determined. We extract the LECs up to fourth order in the EFT and find that, provided we correctly account for EFT truncation errors in our likelihood, results for lower-order LECs are stable as we go to higher orders. LEC results are also stable with respect to the addition of higher-energy data. We extract the expansion parameter for all the nuclei listed above and find a clear correlation between the extracted and the expected value of the inverse breakdown scale, W, based on the single-particle and vibrational energy scales. However, the W that actually determines the convergence of the EFT expansion is markedly smaller than would be naively expected based on those scales.

EFT↗

DOE OSTI2016

Shared Socio-Economic Pathways of the Energy Sector – Quantifying the Narratives

Energy is crucial for supporting basic human needs, development and well-being. The future evolution of the scale and character of the energy system will be fundamentally shaped by socioeconomic conditions and drivers, available energy resources, technologies of energy supply and transformation, and end-use energy demand. However, because energy-related activities are significant sources of greenhouse gas (GHG) emissions and other environmental and social externalities, energy system development will also be influenced by social acceptance and strategic policy choices. All of these uncertainties have important implications for many aspects of economic and environmental sustainability, and climate change in particular. In the Shared-Socioeconomic Pathway (SSP) framework these uncertainties are structured into five narratives, arranged according to the challenges to climate change mitigation and adaptation. In this study we explore future energy sector developments across the five SSPs using Integrated Assessment Models (IAMs), and we also provide summary output and analysis for selected scenarios of global emissions mitigation policies. The mitigation challenge strongly corresponds with global baseline energy sector growth over the 21st century, which varies between 40% and 230% depending on final energy consumer behavior, technological improvements, resource availability and policies. The future baseline CO 2 -emission range is even larger, as the most energy-intensive SSP also incorporates a comparatively high share of carbon-intensive fossil fuels, and vice versa. Inter-regional disparities in the SSPs are consistent with the underlying socioeconomic assumptions; these differences are particularly strong in the SSPs with large adaptation challenges, which have little inter-regional convergence in long-term income and final energy demand levels. The scenarios presented do not include feedbacks of climate change on energy sector development. The energy sector SSPs with and without emissions mitigation policies are introduced and analyzed here in order to contribute to future research in climate sciences, mitigation analysis, and studies on impacts, adaptation and vulnerability.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

DESC: A stellarator equilibrium solver

In this paper, the new code DESC is presented to solve for fixed-boundary ideal magnetohydrodynamic equilibria in stellarators. The approach directly solves the equilibrium force balance as a system of nonlinear equations in the form f(x) = 0. The independent variables x represent nested magnetic flux surfaces expressed in the inverse representation with toroidal flux coordinates, and the equations f(x) quantify equilibrium force balance errors at discrete points in real space. Discretizing with global Fourier–Zernike basis functions properly treats the magnetic axis and minimizes the number of coefficients needed to describe the flux surfaces. The pseudospectral method provides great flexibility in where the errors are evaluated, and the system of equations is efficiently solved with a Newton–Raphson iteration. Equilibria are computed and compared against VMEC for both axisymmetric and non-axisymmetric examples. The results show fast convergence rates and solutions with low errors throughout the plasma volume.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2011

Investigation of advanced UQ for CRUD prediction with VIPRE.

This document summarizes the results from a level 3 milestone study within the CASL VUQ effort. It demonstrates the application of 'advanced UQ,' in particular dimension-adaptive p-refinement for polynomial chaos and stochastic collocation. The study calculates statistics for several quantities of interest that are indicators for the formation of CRUD (Chalk River unidentified deposit), which can lead to CIPS (CRUD induced power shift). Stochastic expansion methods are attractive methods for uncertainty quantification due to their fast convergence properties. For smooth functions (i.e., analytic, infinitely-differentiable) in L{sup 2} (i.e., possessing finite variance), exponential convergence rates can be obtained under order refinement for integrated statistical quantities of interest such as mean, variance, and probability. Two stochastic expansion methods are of interest: nonintrusive polynomial chaos expansion (PCE), which computes coefficients for a known basis of multivariate orthogonal polynomials, and stochastic collocation (SC), which forms multivariate interpolation polynomials for known coefficients. Within the DAKOTA project, recent research in stochastic expansion methods has focused on automated polynomial order refinement ('p-refinement') of expansions to support scalability to higher dimensional random input spaces [4, 3]. By preferentially refining only in the most important dimensions of the input space, the applicability of these methods can be extended from O(10{sup 0})-O(10{sup 1}) random variables to O(10{sup 2}) and beyond, depending on the degree of anisotropy (i.e., the extent to which randominput variables have differing degrees of influence on the statistical quantities of interest (QOIs)). Thus, the purpose of this study is to investigate the application of these adaptive stochastic expansion methods to the analysis of CRUD using the VIPRE simulation tools for two different plant models of differing random dimension, anisotropy, and smoothness.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Unwarping GISAXS data

Explore the source record for details and available documents.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Convergent Concordant Mode Approach for Molecular Vibrations: CMA-2

The concordant mode approach (CMA) is a promising new scheme for dramatically increasing the system size and level of theory achievable in quantum chemical computations of molecular vibrational frequencies. Here, we achieve advances in the CMA hierarchy by computations targeting CCSD(T)/cc-pVTZ (coupled cluster singles and doubles with perturbative triples using a correlation-consistent polarized-valence triple-ζ basis set) benchmarks within the G2 molecular test set, executing a statistical analysis for 1501 frequencies from 111 compounds and then separately solving the refractory case of pyridine. First, MP2/cc-pVTZ (second-order Møller–Plesset perturbation theory with the same basis set) proves to be an excellent and preferred choice for generating the underlying (Level B) normal modes of the CMA scheme. Utilizing this Level B within the CMA-0A method reproduces the 1501 benchmark frequencies with a mean absolute error (MAE) of only 0.11 cm –1 and an attendant standard deviation of 0.49 cm –1 . Second, a convergent CMA-2 method is constituted that allows efficient computation of higher level (Level A) frequencies to any reasonable accuracy threshold by using only Hartree–Fock (HF) and MP2 or density functional theory (DFT) data to generate ξ parameters, which select the sparse off-diagonal force field elements for explicit evaluation at Level A. When Level B = MP2/cc-pVTZ, a cutoff of ξ = 0.02 provides an average maximum absolute error per molecule of only 0.17 cm –1 by incurring merely a 33% increase in average cost over CMA-0A. This CMA-2 method also eradicates the 4 problematic CMA-0A outliers of pyridine with even less effort (ξ = 0.04, 22% increase). Finally, the newly developed CMA procedures are shown to be highly successful when applied to 1-(1H-pyrrol-3-yl)ethanol, a new test molecule with diverse types of vibration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

What happens to full-f gyrokinetic transport and turbulence in a toroidal wedge simulation?

Here, in order to save the computing time or to fit the simulation size into a limited computing hardware in a gyrokinetic turbulence simulation of a tokamak plasma, a toroidal wedge simulation may be utilized in which only a partial toroidal section is modeled with a periodic boundary condition in the toroidal direction. The most severe restriction in the wedge simulation is expected to be in the longest wavelength turbulence, i.e., ion temperature gradient (ITG) driven turbulence. The global full-f gyrokinetic code XGC1 is used to compare the transport and turbulence properties from a toroidal wedge simulation against the full torus simulation in an ITG unstable plasma in a model toroidal geometry. It is found that (1) the convergence study in the wedge number needs to be conducted all the way down to the full torus in order to avoid a false convergence, (2) a reasonably accurate simulation can be performed if the correct wedge number N can be identified, (3) the validity of a wedge simulation may be checked by performing a wave-number spectral analysis of the turbulence amplitude |δΦ| and assuring that the variation of δΦ between the discrete kθ values is less than 25% compared to the peak |δΦ|, and (4) a frequency spectrum may not be used for the validity check of a wedge simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Whole-genome sequencing distinguishes the two most common giant kelp ecomorphs

Abstract Giant kelp, Macrocystis pyrifera, exists as distinct morphological variants—or “ecomorphs”—in different populations, yet the mechanism for this variation is uncertain, and environmental drivers for either adaptive or plastic phenotypes have not been identified. The ecomorphs Macrocystis “pyrifera” and M. “integrifolia” are distributed throughout temperate waters of North and South America with almost no geographic overlap and exhibit an incongruous, non-mirrored, distribution across the equator. This study evaluates the degree of genetic divergence between M. “pyrifera” and M. “integrifolia” across 18 populations in Chile and California using whole-genome sequencing and single-nucleotide polymorphism markers. Our results based on a principal component analysis, admixture clustering by genetic similarity, and phylogenetic inference demonstrate that M. “pyrifera” and M. “integrifolia” are genetically distinguishable. Analyses reveal separation by Northern and Southern Hemispheres and between morphs within hemispheres, suggesting that the convergent “integrifolia” morphology arose separately in each hemisphere. This is the first study to use whole-genome sequencing to understand genetic divergence in giant kelp ecomorphs, identifying 83 potential genes under selection and providing novel insights about Macrocystis evolution that were not evident with previous genetic techniques. Future studies are needed to uncover the environmental forces driving local adaptation and presumed convergent evolution of these morphs.

Environmental Sciences & Ecology↗

DOE OSTI2026

Exploring the Origins of Anti-Ambipolarity in BBL Polymer: Links to Redox Chemistry, Electronic Structure, and Structural Dynamics

We examine the intrinsic physical-chemical properties of the conjugated ladder-type polymer poly(benzimidazobenzophenanthroline) (BBL) in response to electron transfer. We aim at explaining the origin of the anti-ambipolar behavior behind the observed BBL nonlinear response associated with specific device architectures. To elucidate this point, we use theory and computation based on first principles, including density functional theory optimizations, ab initio molecular dynamics, time-dependent DFT, and Marcus-theory analysis. Our results reveal that this redox response is not simply monotonic but follows an alternating odd/even pattern in which gap narrowing and reopening occur sequentially before near-gapless behavior emerges at high charging. Converging theoretical evidence in this work demonstrates that bell shaped conductivity in BBL originates in its fundamental electronic structure and supramolecular organization.

FOS: Physical sciences↗

NASA NTRS1979

ATLAS, an integrated structural analysis and design system. Volume 6: Design module theory

The automated design theory underlying the operation of the ATLAS Design Module is decribed. The methods, applications and limitations associated with the fully stressed design, the thermal fully stressed design and a regional optimization algorithm are presented. A discussion of the convergence characteristics of the fully stressed design is also included. Derivations and concepts specific to the ATLAS design theory are shown, while conventional terminology and established methods are identified by references.

Backman, B. F.↗

NASA NTRS1980

The solution of variable-step implicit difference equations for dynamic systems analysis

A semi-implicit iterative technique is given for the solution of implicit matrix difference equations which arise in variable-step direct time integration of dynamic systems equations. For all practical purposes, the technique avoids repeated refactoring of the stepsize-dependent solution matrix and achieves the solution convergence for engineering accuracy requirements within a permissible number of iterations. Extension of the present method to nonlinear problems treated by the pseudo-force procedure is straightforward. For nonlinear solution procedures based on the tangent modulus formulation, the technique requires modification to make use of the tangent stiffness matrix. It is noted that the question of whether to include the nonlinear terms within the iteration loop has not yet been resolved.

Park, K. C.↗