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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

TU-AB-303-01: A Feasibility Study for Dynamic Adaptive Therapy of Non-Small Cell Lung Cancer

Purpose: To compare plans for NSCLC optimized using Dynamic Adaptive Therapy (DAT) with conventional IMRT optimization. DAT adapts plans based on changes in the target volume by using dynamic programing techniques to consider expected changes into the optimization process. Information gathered during treatment, e.g. from CBCT, is incorporated into the optimization. Methods and materials: DAT is formulated using stochastic control formalism, which minimizes the total expected number of tumor cells at the end of a treatment course subject to uncertainty inherent in the tumor response and organs-at-risk (OAR) dose constraints. This formulation allows for non-stationary dose distribution as well as non-stationary fractional dose as needed to achieve a series of optimal plans that are conformal to tumor over time. Sixteen phantom cases with various sizes and locations of tumors, and OAR geometries were generated. Each case was planned with DAT and conventional IMRT (60Gy/30fx). Tumor volume change over time was obtained by using, daily MVCT-based, two-level cell population model. Monte Carlo simulations have been performed for each treatment course to account for uncertainty in tumor response. Same OAR dose constraints were applied for both methods. The frequency of plan modification was varied to 1, 2, 5 (weekly), and 29 (daily). The final average tumor dose and OAR doses have been compared to quantify the potential benefit of DAT. Results: The average tumor max, min, mean, and D95 resulted from DAT were 124.0–125.2%, 102.1–114.7%, 113.7–123.4%, and 102.0–115.9% (range dependent on the frequency of plan modification) of those from conventional IMRT. Cord max, esophagus max, lung mean, heart mean, and unspecified tissue D05 resulted from AT were 84–102.4%, 99.8–106.9%, 66.9–85.6%, 58.2–78.8%, and 85.2–94.0% of those from conventional IMRT. Conclusions: Significant tumor dose increase and OAR dose reduction, especially with parallel OAR with mean or dose-volume constraints, can be achieved using DAT.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Quantum mechanical solver for confined heterostructure tunnel field-effect transistors

Heterostructure tunnel field-effect transistors (HTFET) are promising candidates for low-power applications in future technology nodes, as they are predicted to offer high on-currents, combined with a sub-60 mV/dec subthreshold swing. However, the effects of important quantum mechanical phenomena like size confinement at the heterojunction are not well understood, due to the theoretical and computational difficulties in modeling realistic heterostructures. We therefore present a ballistic quantum transport formalism, combining a novel envelope function approach for semiconductor heterostructures with the multiband quantum transmitting boundary method, which we extend to 2D potentials. We demonstrate an implementation of a 2-band version of the formalism and apply it to study confinement in realistic heterostructure diodes and p-n-i-n HTFETs. For the diodes, both transmission probabilities and current densities are found to decrease with stronger confinement. For the p-n-i-n HTFETs, the improved gate control is found to counteract the deterioration due to confinement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

A higher-order Lagrangian discontinuous Galerkin hydrodynamic method for solid dynamics

We present a new multidimensional high-order Lagrangian discontinuous Galerkin (DG) hydrodynamic method that supports hypoelastic and hyperelastic strength models for simulating solid dynamics with higher-order elements. We also present new one-dimensional test problems that have an analytic solution corresponding to a hyperelastic–plastic wave. A modal DG approach is used to evolve fields relevant to conservation laws. These fields are approximated high-order Taylor series polynomials. The stress fields are represented using nodal quantities. The constitutive models used to calculate the deviatoric stress are either a hypoelastic–plastic, infinitesimal strain hyperelastic–plastic, or finite strain hyperelastic–plastic model. These constitutive models require new methods for calculating high-order polynomials for the velocity gradient and deformation gradient in an element. The plasticity associated with the strength model is determined using a radial return method to with a J 2 yield criterion and perfect plasticity. The temporal evolution of the governing equations is achieved with the total variation diminishing Runge–Kutta (TVD RK) time integration method. A diverse suite of 1D and 2D test problems are calculated. Here, the new 1D piston test problems, which have analytic solutions for each elastic–plastic model, are presented and calculated to demonstrate the stability and formal accuracy of the various models with the new Lagrangian DG method. 2D test problems are calculated to demonstrate the stability and robustness of the new Lagrangian DG method on multidimensional problems with high-order elements, which have faces that can bend.

42 ENGINEERING↗
DOE OSTI2020

Zero-noise extrapolation for quantum-gate error mitigation with identity insertions

Quantum-gate errors are a significant challenge for achieving precision measurements on noisy intermediate-scale quantum (NISQ) computers. Here, this paper focuses on zero-noise extrapolation (ZNE), a technique that can be implemented on existing hardware, studying it in detail and proposing modifications to existing approaches. In particular, we consider identity insertion methods for amplifying noise because they are hardware agnostic. We build a mathematical formalism for studying existing ZNE techniques and show how higher order polynomial extrapolations can be used to systematically reduce depolarizing errors. Furthermore, we introduce a method for amplifying noise that uses far fewer gates than traditional methods. This approach is compared with existing methods for simulated quantum circuits. Comparable or smaller errors are possible with fewer gates, which illustrates the potential for empowering an entirely new class of moderate-depth circuits on near term hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2011

Systems, methods and apparatus for modeling, specifying and deploying policies in autonomous and autonomic systems using agent-oriented software engineering

Systems, methods and apparatus are provided through which in some embodiments, an agent-oriented specification modeled with MaCMAS, is analyzed, flaws in the agent-oriented specification modeled with MaCMAS are corrected, and an implementation is derived from the corrected agent-oriented specification. Described herein are systems, method and apparatus that produce fully (mathematically) tractable development of agent-oriented specification(s) modeled with methodology fragment for analyzing complex multiagent systems (MaCMAS) and policies for autonomic systems from requirements through to code generation. The systems, method and apparatus described herein are illustrated through an example showing how user formulated policies can be translated into a formal mode which can then be converted to code. The requirements-based programming systems, method and apparatus described herein may provide faster, higher quality development and maintenance of autonomic systems based on user formulation of policies.

Hinchey, Michael G.↗
DOE OSTI2016

Defect-based graphene nanoribbon photodetectors: A numerical study

Recently, some photodetectors based on graphene have been proposed. In all of these works, current generation was carried out by separation of photo-excited carriers using an electric field, either internal or external. In this work, a new method of producing current which is based on different transmission coefficients for electrons and holes when they travel toward any of the two contacts is proposed. To this end, a single Stone–Wales defect close to one of the two contacts was used to break the channel symmetry. In order to confirm the idea, the non-equilibrium Green's function formalism in real space in conjunction with the tight binding method was used in simulations. In addition, to clarify the results, we present a classical model in which different diffusion constants are assumed for the left going and the right going carriers. Additional simulations for different positions of the defect, different lengths of the ribbon, and different bias voltages were performed, and the results are included in this study.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Neutrinoless double-β decay: Combining quantum Monte Carlo and the nuclear shell model with the generalized contact formalism

Neutrinoless double beta decay searches can determine the Majorana nature of neutrinos, the absolute neutrino mass, and provide invaluable insights on the matter dominance of the universe. However, the uncertainty in the nuclear matrix elements that govern the decay limits the physics reach of these experiments. Here, we devise a novel framework based on the generalized contact formalism that combines the nuclear shell model and quantum Monte Carlo methods and compute the neutrinoless double-beta decay of nuclei used in the most advanced experiments, including 76 Ge, 130 Te, and 136 Xe. Our results cover all relevant terms, including the leading-order short-range operator recognized recently. We validate our method in light nuclei by comparing against accurate variational Monte Carlo results. On heavy systems we obtain reduced nuclear matrix elements compared with previous calculations due to additional correlations captured by quantum Monte Carlo and introduced within the generalized contact formalism, suggesting longer decay half-lives than previously considered. On the other hand, we find an enhancement of the nuclear matrix elements due to the new short-range operator.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Feedback control for unsteady flow and its application to the stochastic Burgers equation

The study applies mathematical methods of control theory to the problem of control of fluid flow with the long-range objective of developing effective methods for the control of turbulent flows. Model problems are employed through the formalism and language of control theory to present the procedure of how to cast the problem of controlling turbulence into a problem in optimal control theory. Methods of calculus of variations through the adjoint state and gradient algorithms are used to present a suboptimal control and feedback procedure for stationary and time-dependent problems. Two types of controls are investigated: distributed and boundary controls. Several cases of both controls are numerically simulated to investigate the performances of the control algorithm. Most cases considered show significant reductions of the costs to be minimized. The dependence of the control algorithm on the time-descretization method is discussed.

Choi, Haecheon↗
DOE OSTI2017

Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon

We present a new efficient way to perform hybrid density functional theory (DFT)-based electronic structure calculations. The new method uses an interpolative separable density fitting (ISDF) procedure to construct a set of numerical auxiliary basis vectors and a compact approximation of the matrix consisting of products of occupied orbitals represented in a large basis set such as the planewave basis. Such an approximation allows us to reduce the number of Poisson solves from O ($N$ $^{2}_{ϵ}$) to O ( N ϵ ) when we apply the exchange operator to occupied orbitals in an iterative method for solving the Kohn–Sham equations, where Ne is the number of electrons in the system to be studied. We show that the ISDF procedure can be carried out in O ($N$ $^{3}_{ϵ}$) operations, with a much smaller preconstant compared to methods used in existing approaches. When combined with the recently developed adaptively compressed exchange (ACE) operator formalism, which reduces the number of times the exchange operator needs to be updated, the resulting ACE-ISDF method significantly reduces the computational cost associated with the exchange operator by nearly 2 orders of magnitude compared to existing approaches for a large silicon system with 1000 atoms. We demonstrate that the ACE-ISDF method can produce accurate energies and forces for insulating and metallic systems and that it is possible to obtain converged hybrid functional calculation results for a 1000-atom bulk silicon within 10 min on 2000 computational cores. We also show that ACE-ISDF can scale to 8192 computational cores for a 4096-atom bulk silicon system. We use the ACE-ISDF method to geometrically optimize a 1000-atom silicon system with a vacancy defect using the HSE06 functional and computes its electronic structure. Here, we find that that the computed energy gap from the HSE06 functional is much closer to the experimental value compared to that produced by semilocal functionals in the DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Disconnected covariance of 2-point functions in large-scale structure

Optimal analyses using the 2-point functions of large-scale structure probes require accurate covariance matrices. A covariance matrix of the 2-point function comprises the disconnected part and the connected part. While the connected covariance only becomes important on small scales, the disconnected covariance is dominant on large scales, where the survey window has a significant impact. In this work, we develop an analytical method to compute the disconnected covariance, accounting for the window effect. Derived under the flat-sky approximation, our formalism is applicable to wide surveys by swapping in the curved-sky window functions. Our method works for both the power spectrum and the correlation function, and applies to the covariances of various probes including the multipoles and the wedges of 3D clustering, the angular and the projected statistics of clustering and shear, as well as the cross covariances between different probes. We verify the analytic covariance against the sample covariance from the galaxy mock simulations in two test cases: (1) the power spectrum multipole covariance, and (2) the joint covariance of the projected correlation function and the correlation function multipoles. Our method achieve good agreement with the mocks, while at a negligible computational cost. Unlike mocks, our analytic covariance is free of sampling noise, which often leads to numerical problems and the need to inflate the errors. In addition, our method can use the best-fit power spectrum as input, in contrast to the standard procedure of using a fiducial model that may deviate significantly from the truth. We also show that a naive diagonal power spectrum covariance underestimates the signal-to-noise ratio compared to our analytic covariance. The code that accompanies this paper is available at https://github.com/eelregit/covdisc.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

SU-G-TeP1-15: Toward a Novel GPU Accelerated Deterministic Solution to the Linear Boltzmann Transport Equation

Purpose: To develop a Graphic Processor Unit (GPU) accelerated deterministic solution to the Linear Boltzmann Transport Equation (LBTE) for accurate dose calculations in radiotherapy (RT). A deterministic solution yields the potential for major speed improvements due to the sparse matrix-vector and vector-vector multiplications and would thus be of benefit to RT. Methods: In order to leverage the massively parallel architecture of GPUs, the first order LBTE was reformulated as a second order self-adjoint equation using the Least Squares Finite Element Method (LSFEM). This produces a symmetric positive-definite matrix which is efficiently solved using a parallelized conjugate gradient (CG) solver. The LSFEM formalism is applied in space, discrete ordinates is applied in angle, and the Multigroup method is applied in energy. The final linear system of equations produced is tightly coupled in space and angle. Our code written in CUDA-C was benchmarked on an Nvidia GeForce TITAN-X GPU against an Intel i7-6700K CPU. A spatial mesh of 30,950 tetrahedral elements was used with an S4 angular approximation. Results: To avoid repeating a full computationally intensive finite element matrix assembly at each Multigroup energy, a novel mapping algorithm was developed which minimized the operations required at each energy. Additionally, a parallelized memory mapping for the kronecker product between the sparse spatial and angular matrices, including Dirichlet boundary conditions, was created. Atomicity is preserved by graph-coloring overlapping nodes into separate kernel launches. The one-time mapping calculations for matrix assembly, kronecker product, and boundary condition application took 452±1ms on GPU. Matrix assembly for 16 energy groups took 556±3s on CPU, and 358±2ms on GPU using the mappings developed. The CG solver took 93±1s on CPU, and 468±2ms on GPU. Conclusion: Three computationally intensive subroutines in deterministically solving the LBTE have been formulated on GPU, resulting in two orders of magnitude speedup. Funding support from Natural Sciences and Engineering Research Council and Alberta Innovates Health Solutions. Dr. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).

60 APPLIED LIFE SCIENCES↗
NASA NTRS1971

Inversion problem for ion-atom differential elastic scattering.

The paper describes a practical application of Remler's (1971) method by which one constructs a set of phase shifts from high resolution measurements of the differential elastic scattering of protons by rare-gas atoms. These JWKB phase shifts are then formally inverted to determine the corresponding intermolecular potentials. The validity of the method is demonstrated by comparing an intermolecular potential obtained by direct inversion of experimental data with a fairly accurate calculation by Wolniewicz (1965).

Rich, W. G.↗
NASA NTRS1992

Approximation methods for stochastic petri nets

Stochastic Marked Graphs are a concurrent decision free formalism provided with a powerful synchronization mechanism generalizing conventional Fork Join Queueing Networks. In some particular cases the analysis of the throughput can be done analytically. Otherwise the analysis suffers from the classical state explosion problem. Embedded in the divide and conquer paradigm, approximation techniques are introduced for the analysis of stochastic marked graphs and Macroplace/Macrotransition-nets (MPMT-nets), a new subclass introduced herein. MPMT-nets are a subclass of Petri nets that allow limited choice, concurrency and sharing of resources. The modeling power of MPMT is much larger than that of marked graphs, e.g., MPMT-nets can model manufacturing flow lines with unreliable machines and dataflow graphs where choice and synchronization occur. The basic idea leads to the notion of a cut to split the original net system into two subnets. The cuts lead to two aggregated net systems where one of the subnets is reduced to a single transition. A further reduction leads to a basic skeleton. The generalization of the idea leads to multiple cuts, where single cuts can be applied recursively leading to a hierarchical decomposition. Based on the decomposition, a response time approximation technique for the performance analysis is introduced. Also, delay equivalence, which has previously been introduced in the context of marked graphs by Woodside et al., Marie's method and flow equivalent aggregation are applied to the aggregated net systems. The experimental results show that response time approximation converges quickly and shows reasonable accuracy in most cases. The convergence of Marie's method and flow equivalent aggregation are applied to the aggregated net systems. The experimental results show that response time approximation converges quickly and shows reasonable accuracy in most cases. The convergence of Marie's is slower, but the accuracy is generally better. Delay equivalence often fails to converge, while flow equivalent aggregation can lead to potentially bad results if a strong dependence of the mean completion time on the interarrival process exists.

Jungnitz, Hauke Joerg↗
NASA NTRS1977

Plasma effects on the spontaneous emission of synchrotron radiation from weakly relativistic electrons

A method for computing the spectral emissivity of spontaneous synchrotron radiation is discussed. The Klimontovich (1967) formalism in plasma kinetic theory is adopted in which an ensemble average of the microscopically emitted power is considered. The present method clarifies the meaning of the random phase approximation which is imposed in several existing theories of synchrotron radiation. Both the effects of dielectric polarization and two-particle correlations are included in the present discussion. The theory is applied to the case of a plasma in thermal equilibrium, for which it is shown that the effect of pair correlations on the emissivity vanishes. On the other hand, the effect of dielectric polarization is studied numerically for a wide range of parameters.

Freund, H. P.↗
NASA NTRS1972

A method of hardware qualification for flight by analyses, similarity and integrated testing

The results are described of a study on four pieces of flight hardware from the Saturn 1U and S-4B stages to determine whether the objectives of the formal qualification tests on that hardware could have been obtained within that program by methods other than performing the qualification tests. These methods include qualification by analyses, similarity and integrated testing, i.e., distribution of the objectives among the other tests in the program. It was found that it is feasible to delete the requirements for formal qualification testing provided that it is accomplished early in the program to allow adequate planning for accomplishing the qualification objectives by other means. Additionally, a scorekeeping system was defined that is simple, straightforward, easy to implement. This scorekeeping system provides complete visibility of equivalent qualification status at any point during the program. A set of groundrules for implementing this study was established as a result of findings on the specific items of hardware studied.

Andriulli, J. B.↗
DOE OSTI2023

Chapter 8 - Testing and Evaluation Methods for Protection Systems

In this chapter, we aim to present different approaches used formally and informally for the evaluation of protection devices and schemes. This chapter starts with presenting background on generalization of protection device components, followed by the resources necessary to evaluate the protection system. Further, this chapter presents the different approaches used in protection evaluation with their advantages and disadvantages. Finally, this chapter closes by presenting background on technology readiness level metrics. Technology readiness level metric is borrowed from the space industry for the purpose of comparing the maturity of the different protection technologies and using the appropriate evaluation methods from the list presented here.

power systems↗
NASA NTRS2010

What is the Final Verification of Engineering Requirements?

This slide presentation reviews the process of development through the final verification of engineering requirements. The definition of the requirements is driven by basic needs, and should be reviewed by both the supplier and the customer. All involved need to agree upon a formal requirements including changes to the original requirements document. After the requirements have ben developed, the engineering team begins to design the system. The final design is reviewed by other organizations. The final operational system must satisfy the original requirements, though many verifications should be performed during the process. The verification methods that are used are test, inspection, analysis and demonstration. The plan for verification should be created once the system requirements are documented. The plan should include assurances that every requirement is formally verified, that the methods and the responsible organizations are specified, and that the plan is reviewed by all parties. The options of having the engineering team involved in all phases of the development as opposed to having some other organization continue the process once the design has been complete is discussed.

Poole, Eric↗
DOE OSTI2014

TH-E-BRE-09: TrueBeam Monte Carlo Absolute Dose Calculations Using Monitor Chamber Backscatter Simulations and Linac-Logged Target Current

Purpose: To simulate and measure radiation backscattered into the monitor chamber of a TrueBeam linac; establish a rigorous framework for absolute dose calculations for TrueBeam Monte Carlo (MC) simulations through a novel approach, taking into account the backscattered radiation and the actual machine output during beam delivery; improve agreement between measured and simulated relative output factors. Methods: The ‘monitor backscatter factor’ is an essential ingredient of a well-established MC absolute dose formalism (the MC equivalent of the TG-51 protocol). This quantity was determined for the 6 MV, 6X FFF, and 10X FFF beams by two independent Methods: (1) MC simulations in the monitor chamber of the TrueBeam linac; (2) linac-generated beam record data for target current, logged for each beam delivery. Upper head MC simulations used a freelyavailable manufacturer-provided interface to a cloud-based platform, allowing use of the same head model as that used to generate the publicly-available TrueBeam phase spaces, without revealing the upper head design. The MC absolute dose formalism was expanded to allow direct use of target current data. Results: The relation between backscatter, number of electrons incident on the target for one monitor unit, and MC absolute dose was analyzed for open fields, as well as a jaw-tracking VMAT plan. The agreement between the two methods was better than 0.15%. It was demonstrated that the agreement between measured and simulated relative output factors improves across all field sizes when backscatter is taken into account. Conclusion: For the first time, simulated monitor chamber dose and measured target current for an actual TrueBeam linac were incorporated in the MC absolute dose formalism. In conjunction with the use of MC inputs generated from post-delivery trajectory-log files, the present method allows accurate MC dose calculations, without resorting to any of the simplifying assumptions previously made in the TrueBeam MC literature. This work has been partially funded by Varian Medical Systems.

07 ISOTOPE AND RADIATION SOURCES↗