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All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Science@NASA: Direct to People Via the Internet

NASA's founding charter includes the requirement for reporting all scientific results to the public. This requirement is based on the principal that the exploration of space results in real benefits to humanity and that those benefits are to be shared as widely as practical. When NASA was founded, the traditional education and outreach methods were through the news media and the formal and informal (museums, planetariums exhibits, etc.) educational communities. With the nearly ubiquitous availability of the Internet, a third choice presents itself: communicating directly with individuals in their homes. This powerful approach offers benefits and pitfalls that must be addressed to be effective. This paper covers an integrated approach to providing high quality NASA research information to multiple audiences via a family of websites. The paper discuss the content generation, review, and production process and provide metrics on evaluating the results.

Koczor, R. J.↗
NASA NTRS2015

Kodiak: An Implementation Framework for Branch and Bound Algorithms

Recursive branch and bound algorithms are often used to refine and isolate solutions to several classes of global optimization problems. A rigorous computation framework for the solution of systems of equations and inequalities involving nonlinear real arithmetic over hyper-rectangular variable and parameter domains is presented. It is derived from a generic branch and bound algorithm that has been formally verified, and utilizes self-validating enclosure methods, namely interval arithmetic and, for polynomials and rational functions, Bernstein expansion. Since bounds computed by these enclosure methods are sound, this approach may be used reliably in software verification tools. Advantage is taken of the partial derivatives of the constraint functions involved in the system, firstly to reduce the branching factor by the use of bisection heuristics and secondly to permit the computation of bifurcation sets for systems of ordinary differential equations. The associated software development, Kodiak, is presented, along with examples of three different branch and bound problem types it implements.

Smith, Andrew P.↗
NASA NTRS2021

Hydrocarbon Cold-Flow Simulation of LOX/LH2 Rocket Aerodynamics

In FY19, this project developed a test method which employed heated ethane in the physical simulation of rocket plume aerodynamics. Based on this work, EUS partnered with significant leveraged funding. A portable, self-contained test bed was also fabricated to support validation of the new method. In FY20, this project focused on the formal validation of ethane’s performance as an aerodynamic simulant as well as the development of the analytical and hardware infrastructure required to carry out that task. The test bed was activated, a series of heated-ethane tests on one or more rocket/diffuser configurations were conducted, and characterizations of the performance of the ethane simulation compared to hot-fire were performed. A series of 127 tests were conducted on 13 aerodynamic configurations to evaluate ethane’s performance as a simulant. It was found that the new methodology can reproduce rocket plume flow fields with +/- 0.5% pressure error at ~3% physical scale. The result is a cost-per-test reduction of ~99% compared to the hot-fire subscale testing typically used to obtain equivalent data. Some initial efforts have taken place, and future efforts are being planned with LaRC supersonic retro propulsion and MSFC SLS aerodynamics teams, which are interested in using the ethane system to wind-tunnel test human-rated Mars lander retrorockets and SLS Booster. Details of the prototypical experiments were published as NASA TM 2020-5009122,and have been presented in JANNAF Virtual Conference paper, "New Developments in Retro propulsion Testing for Mars Entry, Descent and Landing".

Daniel Jones↗
DOE OSTI2015

Joint neutron measurements on the flat-top HEU critical assembly machine - 14388

Flat-Top is a critical assembly with a spherical core (either ∼17 kg of HEU or ∼6 kg of δ-phase Pu) surrounded by a spherical 1000 kg natural uranium reflector. In 2013, joint LANL and CEA measurements were conducted to measure Flat-Top configurations with the HEU core using He-3 detector systems. Similar experiments were previously documented in which the Caliban and Godiva critical assemblies were measured. The core and reflector of Flat-Top have a glory hole in which nuclear material or non-nuclear material may be placed. Five configurations were measured and included subcritical configurations at various reactivity states as well as a configuration at delayed critical. The various reactivity states were achieved by varying the placement of the safety blocks and control rods (composed of natural uranium). A description of the assembly and the specific configurations measured will be presented. The subcritical and delayed critical measurements were analyzed using the Hage-Cifarelli formalism of the Feynman Variance-to-Mean method. This analysis can be used to calculate the multiplication of each configuration, from which the multiplication factor and reactivity are determined. These results are compared to the reactivity states based upon control rod worth curves and MCNP simulations. For this work, a new MCNP model was made to accurately represent the measured configurations. The ICSBEP handbook contains a benchmark of Flat-Top but all models are very simple and do not have the required fidelity to accurately represent the measured configurations. This work also examines the number of neutrons emitted per fission for this assembly (which has a significant contribution of induced fissions in U-238 due to the large natural uranium reflector). (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Beyond quantum cluster theories: multiscale approaches for strongly correlated systems

The degrees of freedom that confer to strongly correlated systems their many intriguing properties also render them fairly intractable through typical perturbative treatments. For this reason, the mechanisms responsible for their technologically promising properties remain mostly elusive. Computational approaches have played a major role in efforts to fill this void. In particular, dynamical mean field theory and its cluster extension, the dynamical cluster approximation have allowed significant progress. However, despite all the insightful results of these embedding schemes, computational constraints, such as the minus sign problem in quantum Monte Carlo (QMC), and the exponential growth of the Hilbert space in exact diagonalization (ED) methods, still limit the length scale within which correlations can be treated exactly in the formalism. A recent advance aiming to overcome these difficulties is the development of multiscale many body approaches whereby this challenge is addressed by introducing an intermediate length scale between the short length scale where correlations are treated exactly using a cluster solver such QMC or ED, and the long length scale where correlations are treated in a mean field manner. At this intermediate length scale correlations can be treated perturbatively. This is the essence of multiscale many-body methods. Furthermore, we will review various implementations of these multiscale many-body approaches, the results they have produced, and the outstanding challenges that should be addressed for further advances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1995

Hybrid Upwind Splitting (HUS) by a Field-by-Field Decomposition

We introduce and develop a new approach for upwind biasing: the hybrid upwind splitting (HUS) method. This original procedure is based on a suitable hybridization of current prominent flux vector splitting (FVS) and flux difference splitting (FDS) methods. The HUS method is designed to naturally combine the respective strengths of the above methods while excluding their main deficiencies. Specifically, the HUS strategy yields a family of upwind methods that exhibit the robustness of FVS schemes in the capture of nonlinear waves and the accuracy of some FDS schemes in the resolution of linear waves. We give a detailed construction of the HUS methods following a general and systematic procedure directly performed at the basic level of the field by field (i.e. waves) decomposition involved in FDS methods. For such a given decomposition, each field is endowed either with FVS or FDS numerical fluxes, depending on the nonlinear nature of the field under consideration. Such a design principle is made possible thanks to the introduction of a convenient formalism that provides us with a unified framework for upwind methods. The HUS methods we propose bring significant improvements over current methods in terms of accuracy and robustness. They yield entropy-satisfying approximate solutions as they are strongly supported in numerical experiments. Field by field hybrid numerical fluxes also achieve fairly simple and explicit expressions and hence require a computational effort between that of the FVS and FDS. Several numerical experiments ranging from stiff 1D shock-tube to high speed viscous flows problems are displayed, intending to illustrate the benefits of the present approach. We assess in particular the relevance of our HUS schemes to viscous flow calculations.

Coquel, Frederic↗
NASA NTRS1995

Software Safety Progress in NASA

NASA has developed guidelines for development and analysis of safety-critical software. These guidelines have been documented in a Guidebook for Safety Critical Software Development and Analysis. The guidelines represent a practical 'how to' approach, to assist software developers and safety analysts in cost effective methods for software safety. They provide guidance in the implementation of the recent NASA Software Safety Standard NSS-1740.13 which was released as 'Interim' version in June 1994, scheduled for formal adoption late 1995. This paper is a survey of the methods in general use, resulting in the NASA guidelines for safety critical software development and analysis.

Radley, Charles F.↗
NASA NTRS2008

Robustness Analysis and Reliable Flight Regime Estimation of an Integrated Resilent Control System for a Transport Aircraft

Formal robustness analysis of aircraft control upset prevention and recovery systems could play an important role in their validation and ultimate certification. As a part of the validation process, this paper describes an analysis method for determining a reliable flight regime in the flight envelope within which an integrated resilent control system can achieve the desired performance of tracking command signals and detecting additive faults in the presence of parameter uncertainty and unmodeled dynamics. To calculate a reliable flight regime, a structured singular value analysis method is applied to analyze the closed-loop system over the entire flight envelope. To use the structured singular value analysis method, a linear fractional transform (LFT) model of a transport aircraft longitudinal dynamics is developed over the flight envelope by using a preliminary LFT modeling software tool developed at the NASA Langley Research Center, which utilizes a matrix-based computational approach. The developed LFT model can capture original nonlinear dynamics over the flight envelope with the ! block which contains key varying parameters: angle of attack and velocity, and real parameter uncertainty: aerodynamic coefficient uncertainty and moment of inertia uncertainty. Using the developed LFT model and a formal robustness analysis method, a reliable flight regime is calculated for a transport aircraft closed-loop system.

Shin, Jong-Yeob↗
DOE OSTI2017

Nonperturbative comparison of clover and highly improved staggered quarks in lattice QCD and the properties of the Φ meson

Here, we compare correlators for pseudoscalar and vector mesons made from valence strange quarks using the clover quark and highly improved staggered quark (HISQ) formalisms in full lattice QCD. We use fully nonperturbative methods to normalise vector and axial vector current operators made from HISQ quarks, clover quarks and from combining HISQ and clover fields. This allows us to test expectations for the renormalisation factors based on perturbative QCD, with implications for the error budget of lattice QCD calculations of the matrix elements of clover-staggered $b$-light weak currents, as well as further HISQ calculations of the hadronic vacuum polarisation. We also compare the approach to the (same) continuum limit in clover and HISQ formalisms for the mass and decay constant of the $\phi$ meson. Our final results for these parameters, using single-meson correlators and neglecting quark-line disconnected diagrams are: $m_{\phi} =$ 1.023(5) GeV and $f_{\phi} = $ 0.238(3) GeV in good agreement with experiment. These results come from calculations in the HISQ formalism using gluon fields that include the effect of $u$, $d$, $s$ and $c$ quarks in the sea with three lattice spacing values and $m_{u/d}$ values going down to the physical point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Bayesian soft X-ray tomography using non-stationary Gaussian Processes

In this study, a Bayesian based non-stationary Gaussian Process (GP) method for the inference of soft X-ray emissivity distribution along with its associated uncertainties has been developed. For the investigation of equilibrium condition and fast magnetohydrodynamic behaviors in nuclear fusion plasmas, it is of importance to infer, especially in the plasma center, spatially resolved soft X-ray profiles from a limited number of noisy line integral measurements. For this ill-posed inversion problem, Bayesian probability theory can provide a posterior probability distribution over all possible solutions under given model assumptions. Specifically, the use of a non-stationary GP to model the emission allows the model to adapt to the varying length scales of the underlying diffusion process. In contrast to other conventional methods, the prior regularization is realized in a probability form which enhances the capability of uncertainty analysis, in consequence, scientists who concern the reliability of their results will benefit from it. Under the assumption of normally distributed noise, the posterior distribution evaluated at a discrete number of points becomes a multivariate normal distribution whose mean and covariance are analytically available, making inversions and calculation of uncertainty fast. Additionally, the hyper-parameters embedded in the model assumption can be optimized through a Bayesian Occam's Razor formalism and thereby automatically adjust the model complexity. This method is shown to produce convincing reconstructions and good agreements with independently calculated results from the Maximum Entropy and Equilibrium-Based Iterative Tomography Algorithm methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

On the calculation of complete dissociation curves of closed-shell pseudo-onedimensional systems via the complete active space method of increments

The method of increments (MoI) has been employed using the complete active space formalism in order to calculate the dissociation curve of beryllium ring-shaped clusters Be{sub n} of different sizes. Benchmarks obtained through different quantum chemical methods including the ab initio density matrix renormalization group were used to verify the validity of the MoI truncation which showed a reliable behavior for the whole dissociation curve. Moreover we investigated the size dependence of the correlation energy at different interatomic distances in order to extrapolate the values for the periodic chain and to discuss the transition from a metal-like to an insulator-like behavior of the wave function through quantum chemical considerations.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1989

Space Propulsion Hazards Analysis Manual (SPHAM), volume 1

The Space Propulsion Hazards Analysis Manual (SPHAM) is a compilation of methods and data directed at hazards analysis and safety for space propulsion and associated vehicles, but broadly applicable to other environments and systems. Methods are described of compiling relevant regulatory documentation, deriving design requirements and specifications, modeling accident scenarios in formal risk assessments, and correlation real-time data to risk probability modeling. Also, SPHAM provides methods for predicting post-accident blast, fragmentation, thermal, and environmental damage. Included in the appendices are an exhaustive bibliography, hazardous properties information on selected space propulsion commodities, and system descriptions of various launch vehicles, upper stages, and spacecrafts.

Becker, Dorothy L.↗
DOE OSTI2015

Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks

The equation-of-motion coupled-cluster (EOM-CC) methods provide a robust description of electronically excited states and their properties. Here, we present a formalism for two-photon absorption (2PA) cross sections for the equation-of-motion for excitation energies CC with single and double substitutions (EOM-CC for electronically excited states with single and double substitutions) wave functions. Rather than the response theory formulation, we employ the expectation-value approach which is commonly used within EOM-CC, configuration interaction, and algebraic diagrammatic construction frameworks. In addition to canonical implementation, we also exploit resolution-of-the-identity (RI) and Cholesky decomposition (CD) for the electron-repulsion integrals to reduce memory requirements and to increase parallel efficiency. The new methods are benchmarked against the CCSD and CC3 response theories for several small molecules. We found that the expectation-value 2PA cross sections are within 5% from the quadratic response CCSD values. The RI and CD approximations lead to small errors relative to the canonical implementation (less than 4%) while affording computational savings. RI/CD successfully address the well-known issue of large basis set requirements for 2PA cross sections calculations. The capabilities of the new code are illustrated by calculations of the 2PA cross sections for model chromophores of the photoactive yellow and green fluorescent proteins.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Resonant frequency calculations using a hybrid perturbation-Galerkin technique

A two-step hybrid perturbation Galerkin technique is applied to the problem of determining the resonant frequencies of one or several degree of freedom nonlinear systems involving a parameter. In one step, the Lindstedt-Poincare method is used to determine perturbation solutions which are formally valid about one or more special values of the parameter (e.g., for large or small values of the parameter). In step two, a subset of the perturbation coordinate functions determined in step one is used in Galerkin type approximation. The technique is illustrated for several one degree of freedom systems, including the Duffing and van der Pol oscillators, as well as for the compound pendulum. For all of the examples considered, it is shown that the frequencies obtained by the hybrid technique using only a few terms from the perturbation solutions are significantly more accurate than the perturbation results on which they are based, and they compare very well with frequencies obtained by purely numerical methods.

Geer, James F.↗
NASA NTRS1991

Resonant frequency calculations using a hybrid perturbation-Galerkin technique

A two-step hybrid perturbation Galerkin technique is applied to the problem of determining the resonant frequencies of one or several degrees of freedom nonlinear systems involving a parameter. In one step, the Lindstedt-Poincare method is used to determine perturbation solutions which are formally valid about one or more special values of the parameter (e.g., for large or small values of the parameter). In step two, a subset of the perturbation coordinate functions determined in step one is used in Galerkin type approximation. The technique is illustrated for several one degree of freedom systems, including the Duffing and van der Pol oscillators, as well as for the compound pendulum. For all of the examples considered, it is shown that the frequencies obtained by the hybrid technique using only a few terms from the perturbation solutions are significantly more accurate than the perturbation results on which they are based, and they compare very well with frequencies obtained by purely numerical methods.

Geer, James F.↗
DOE OSTI2012

Prostate brachytherapy postimplant dosimetry: Seed orientation and the impact of dosimetric anisotropy in stranded implants

Purpose: In postimplant dosimetry for prostate brachytherapy, dose is commonly calculated using the TG-43 1D formalism, because seed orientations are difficult to determine from CT images, the current standard for the procedure. However, the orientation of stranded seeds soon after implantation is predictable, as these seeds tend to maintain their relative spacing, and orient themselves along the implant trajectory. The aim of this study was to develop a method for determining seed orientations from reconstructed strand trajectories, and to use this information to investigate the dosimetric impact of applying the TG-43 2D formalism to clinical postimplant analysis. Methods: Using in-house software, the preplan to postimplant seed correspondence was determined for a cohort of 30 patients during routine day-0 CT-based postimplant dosimetry. All patients were implanted with stranded-seed trains. Spline curves were fit to each set of seeds composing a strand, with the requirement that the distance along the spline between seeds be equal to the seed spacing within the strand. The orientations of the seeds were estimated by the tangents to the spline at each seed centroid. Dose distributions were then determined using the 1D and 2D TG-43 formalisms. These were compared using the TG-137 recommended dose metrics for the prostate, prostatic urethra, and rectum. Results: Seven hundred and sixty one strands were analyzed in total. Defining the z-axis to be cranial-positive and the x-axis to be left-lateral positive in the CT coordinate system, the average seed had an inclination of 21 deg. {+-} 10 deg. and an azimuth of -81 deg. {+-} 57 deg. These values correspond to the average strand rising anteriorly from apex to base, approximately parallel to the midsagittal plane. Clinically minor but statistically significant differences in dose metrics were noted. Compared to the 2D calculation, the 1D calculation underestimated prostate V100 by 1.1% and D90 by 2.3 Gy, while overestimating V150 and V200 by 1.6% and 1.3%, respectively. Urethral and rectal dose quantifiers tended to be underestimated by the 1D calculation. The most pronounced differences were in the urethral D30 and rectal D2cc, which rose by 3.8 and 1.9 Gy, respectively, using the 2D calculation. The total volume of the 100% isodose region as a percentage of the prostate volume was found to increase by 0.4%. Conclusions: Stranded seeds in the supine patient are not oriented in a uniformly random manner, nor are they aligned along the axis of the CT scanner. Instead, this study identified a consistent anterior pitch that is likely attributable to differences in patient pose between implant and CT imaging. The angle of the ultrasound probe with respect to the patient during implant may have also been a contributing factor. The dose metrics derived using the 1D formalism were found to be within 2%, on average, of those derived using the 2D formalism. For greater accuracy, 2D dosimetry can be pursued using the strand-fitting method described in this work. If a 1D representation is used, integrating over the empirically determined seed orientation density reported here may be more appropriate than assuming that seed inclinations are distributed uniformly.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2019

Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature

We extend the coupled-cluster method to correlated quantum dynamics of both closed and open systems at finite temperatures using the thermofield formalism. The approach expresses the time-dependent density matrix in an exponential ansatz and describes time-evolution along the Keldysh path contour. A distinct advantage of the approach is exact trace-preservation as a function of time, ensuring conservation of probability and particle number. Furthermore, the method avoids the computation of correlated bra-states, simplifying the computational implementation. We develop the method in a thermal quasiparticle representation, which allows seamless connection to the projection method and diagrammatic techniques of the traditional coupled-cluster formalism. For comparison, we also apply the thermofield framework to the density-matrix renormalization-group method to obtain reference results for closed and open systems at finite temperature. We test the singles and doubles approximation to the density-matrix coupled-cluster method on the correlated electronic dynamics of the single-impurity Anderson model, demonstrating that the new method successfully captures the correlated dynamics of both closed systems at finite temperature and driven-dissipative open systems. This encouraging performance motivates future applications to nonequilibrium quantum many-body dynamics in realistic systems.

Shushkov, Philip (ORCID:0000000266136117)↗
DOE OSTI2016

Discontinuous finite element space-angle treatment of the first order linear Boltzmann transport equation with magnetic fields: Application to MRI-guided radiotherapy

Purpose: The advent of magnetic resonance imaging (MRI) guided radiotherapy systems demands the incorporation of the magnetic field into dose calculation algorithms of treatment planning systems. This is due to the fact that the Lorentz force of the magnetic field perturbs the path of the relativistic electrons, hence altering the dose deposited by them. Building on the previous work, the authors have developed a discontinuous finite element space-angle treatment of the linear Boltzmann transport equation to accurately account for the effects of magnetic fields on radiotherapy doses. Methods: The authors present a detailed description of their new formalism and compare its accuracy to GEANT4 Monte Carlo calculations for magnetic fields parallel and perpendicular to the radiation beam at field strengths of 0.5 and 3 T for an inhomogeneous 3D slab geometry phantom comprising water, bone, and air or lung. The accuracy of the authors’ new formalism was determined using a gamma analysis with a 2%/2 mm criterion. Results: Greater than 98.9% of all points analyzed passed the 2%/2 mm gamma criterion for the field strengths and orientations tested. The authors have benchmarked their new formalism against Monte Carlo in a challenging radiation transport problem with a high density material (bone) directly adjacent to a very low density material (dry air at STP) where the effects of the magnetic field dominate collisions. Conclusions: A discontinuous finite element space-angle approach has been proven to be an accurate method for solving the linear Boltzmann transport equation with magnetic fields for cases relevant to MRI guided radiotherapy. The authors have validated the accuracy of this novel technique against GEANT4, even in cases of strong magnetic field strengths and low density air.

61 RADIATION PROTECTION AND DOSIMETRY↗