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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

RIFTA: A Robust Iterative Fourier Transform-based dwell time Algorithm for ultra-precision ion beam figuring of synchrotron mirrors

With the rapid evolution of synchrotron X-ray sources, the demand for high-precision X-ray mirrors has greatly increased. Single nanometer profile error is required to keep imaging capability at the diffraction limit. Ion Beam Figuring (IBF), as a highly deterministic surfacing technique, has been used for ultra-precision finishing of mirrors. One crucial step that guides the IBF process is dwell time calculation. A valid dwell time solution should be non-negative and duplicate the shape of the desired removal map. Another important aspect is to minimize the total dwell time. In this study, we propose a Robust Iterative Fourier Transform-based dwell time Algorithm (RIFTA) that automatically fulfills these requirements. First, the thresholded inverse filtering in Fourier transform-based deconvolution is stabilized and automated by optimizing the threshold value using the Nelder-Mead simplex algorithm. Second, a novel two-level iterative scheme is proposed to guarantee the minimized total dwell time with its non-negativity at each dwell point. Third, a bicubic resampling is employed to flexibly adapt the calculated dwell time map to any IBF process intervals. The performance of RIFTA is first studied with simulation, followed by a comparison with the other state-of-the-art dwell time algorithms. We then demonstrate with an experiment that, using the dwell time calculated by the RIFTA, the total dwell time is shortened by a factor of two and the RMS in a 5 × 50 mm clear aperture was reduced from 3.4 nm to 1.1 nm after one IBF run, which proves the effectiveness and the efficiency of the proposed algorithm.

42 ENGINEERING↗
DOE OSTI2019

Improving small-scale CMB lensing reconstruction

Over the past decade, the gravitational lensing of the Cosmic Microwave Background (CMB) has become a powerful tool for probing the matter distribution in the Universe. The standard technique used to reconstruct the CMB lensing signal employs the quadratic estimator (QE) method, which has recently been shown to be suboptimal for lensing measurements on very small scales in temperature and polarization data. We implement a simple, more optimal method for the small-scale regime, which involves taking the direct inverse of the background gradient. We derive new techniques to make continuous maps of lensing using this "Gradient-Inversion" (GI) method and validate our method with simulated data, finding good agreement with predictions. For idealized simulations of lensing cross- and autospectra that neglect foregrounds, we demonstrate that our method performs significantly better than previous quadratic estimator methods in temperature; at $L=5000-9000$, it reduces errors on the lensing auto-power spectrum by a factor of $\sim 4$ for both idealized CMB-S4 and Simons Observatory-like experiments and by a factor of $\sim 2.6$ for cross-correlations of CMB-S4-like lensing reconstruction and the true lensing field. Finally, we caution that the level of the neglected small-scale foreground power, while low in polarization, is very high in temperature; though we briefly outline foreground mitigation methods, further work on this topic is required. Nevertheless, our results show the future potential for improved small-scale CMB lensing measurements, which could provide stronger constraints on cosmological parameters and astrophysics at high redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

FuSED – Users Manual – (V.5.26)

The Fusion of Simulation, Experiment, and Data (FuSED) team provides a set of tools for solving inverse problems in structural dynamics (InverseSD) and thermal physics (InverseAria), a sensor placement optimization tool via Optimal Experimental Design (OED), and a decision boundary tool using SVMs (TRACE). These methods are used for designing experiments, model calibration, and verification/validation analysis of systems. This document provides a user’s guide.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Ensemble Quasi-Newton HMC

We present a modification of the Hybrid Monte Carlo algorithm for tackling the critical slowing down of generating Markov chains of lattice gauge configurations towards the continuum limit. We propose a new method to exchange information within an ensemble of Markov chains, and use it to construct an approximate inverse Hessian matrix of the action inspired from quasi-Newton algorithms for optimization. The kinetic term of the molecular dynamics evolution includes the approximate Hessian for long distance couplings among the momenta. We show the result of applying the new algorithm to the U(1) gauge theory in two dimensions, and discuss our future plans.

Jin, Xiao-Yong↗
NASA NTRS1996

Optimum Transonic Airfoils Based on the Euler Equations

We solve the problem of determining airfoils that approximate, in a least square sense, given surface pressure distributions in transonic flight regimes. The flow is modeled by means of the Euler equations and the solution procedure is an adjoint- based minimization algorithm that makes use of the inverse Theodorsen transform in order to parameterize the airfoil. Fast convergence to the optimal solution is obtained by means of the pseudo-time method. Results are obtained using three different pressure distributions for several free stream conditions. The airfoils obtained have given a trailing edge angle.

Iollo, Angelo↗
NASA NTRS1996

DCTune Perceptual Optimization of Compressed Dental X-Rays

In current dental practice, x-rays of completed dental work are often sent to the insurer for verification. It is faster and cheaper to transmit instead digital scans of the x-rays. Further economies result if the images are sent in compressed form. DCTune is a technology for optimizing DCT (digital communication technology) quantization matrices to yield maximum perceptual quality for a given bit-rate, or minimum bit-rate for a given perceptual quality. Perceptual optimization of DCT color quantization matrices. In addition, the technology provides a means of setting the perceptual quality of compressed imagery in a systematic way. The purpose of this research was, with respect to dental x-rays, 1) to verify the advantage of DCTune over standard JPEG (Joint Photographic Experts Group), 2) to verify the quality control feature of DCTune, and 3) to discover regularities in the optimized matrices of a set of images. We optimized matrices for a total of 20 images at two resolutions (150 and 300 dpi) and four bit-rates (0.25, 0.5, 0.75, 1.0 bits/pixel), and examined structural regularities in the resulting matrices. We also conducted psychophysical studies (1) to discover the DCTune quality level at which the images became 'visually lossless,' and (2) to rate the relative quality of DCTune and standard JPEG images at various bitrates. Results include: (1) At both resolutions, DCTune quality is a linear function of bit-rate. (2) DCTune quantization matrices for all images at all bitrates and resolutions are modeled well by an inverse Gaussian, with parameters of amplitude and width. (3) As bit-rate is varied, optimal values of both amplitude and width covary in an approximately linear fashion. (4) Both amplitude and width vary in systematic and orderly fashion with either bit-rate or DCTune quality; simple mathematical functions serve to describe these relationships. (5) In going from 150 to 300 dpi, amplitude parameters are substantially lower and widths larger at corresponding bit-rates or qualities. (6) Visually lossless compression occurs at a DCTune quality value of about 1. (7) At 0.25 bits/pixel, comparative ratings give DCTune a substantial advantage over standard JPEG. As visually lossless bit-rates are approached, this advantage of necessity diminishes. We have concluded that DCTune optimized quantization matrices provide better visual quality than standard JPEG. Meaningful quality levels may be specified by means of the DCTune metric. Optimized matrices are very similar across the class of dental x-rays, suggesting the possibility of a 'class-optimal' matrix. DCTune technology appears to provide some value in the context of compressed dental x-rays.

Watson, Andrew B.↗
DOE OSTI2016

Inverse modeling of pan-Arctic methane emissions at high spatial resolution: what can we learn from assimilating satellite retrievals and using different process-based wetland and lake biogeochemical models?

Understanding methane emissions from the Arctic, a fast-warming carbon reservoir, is important for projecting future changes in the global methane cycle. Here we optimized methane emissions from north of 60° N (pan-Arctic) regions using a nested-grid high-resolution inverse model that assimilates both high-precision surface measurements and column-average SCanning Imaging Absorption spectroMeter for Atmospheric CHartogrphY (SCIAMACHY) satellite retrievals of methane mole fraction. For the first time, methane emissions from lakes were integrated into an atmospheric transport and inversion estimate, together with prior wetland emissions estimated with six biogeochemical models. In our estimates, in 2005, global methane emissions were in the range of 496.4–511.5 Tg yr –1 , and pan-Arctic methane emissions were in the range of 11.9–28.5 Tg yr –1 . Methane emissions from pan-Arctic wetlands and lakes were 5.5–14.2 and 2.4–14.2 Tg yr –1 , respectively. Methane emissions from Siberian wetlands and lakes are the largest and also have the largest uncertainty. Our results indicate that the uncertainty introduced by different wetland models could be much larger than the uncertainty of each inversion. We also show that assimilating satellite retrievals can reduce the uncertainty of the nested-grid inversions. The significance of lake emissions cannot be identified across the pan-Arctic by high-resolution inversions, but it is possible to identify high lake emissions from some specific regions. In contrast to global inversions, high-resolution nested-grid inversions perform better in estimating near-surface methane concentrations.

58 GEOSCIENCES↗
DOE OSTI2022

Large-Scale Optimization with Linear Equality Constraints Using Reduced Compact Representation

For optimization problems with linear equality constraints, we prove that the (1,1) block of the inverse KKT matrix remains unchanged when projected onto the nullspace of the constraint matrix. In this work, we develop reduced compact representations of the limited-memory inverse BFGS Hessian to compute search directions efficiently when the constraint Jacobian is sparse. Orthogonal projections are implemented by a sparse QR factorization or a preconditioned LSQR iteration. In numerical experiments two proposed trust-region algorithms improve in computation times, often significantly, compared to previous implementations of related algorithms and compared to IPOPT.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Leveraging differentiable programming in the inverse problem of neutron stars

Neutron stars (NSs) probe the high-density regime of the nuclear equation of state (EOS). However, inferring the EOS from observations of NSs is a computationally challenging task. Here, in this work, we efficiently solve this inverse problem by leveraging differential programming in two ways. First, we enable full Bayesian inference in under one hour of wall time on a GPU by using gradient-based samplers, without requiring pretrained machine learning emulators. Moreover, we demonstrate efficient scaling to high-dimensional parameter spaces. Second, we introduce a novel gradient-based optimization scheme that recovers the EOS of a given NS mass-radius curve. We demonstrate how our framework can reveal consistencies or tensions between nuclear physics and astrophysics. First, we show how the breakdown density of a metamodel description of the EOS can be determined from NS observations. Second, we demonstrate how degeneracies in EOS modeling using nuclear empirical parameters can influence the inverse problem during gradient-based optimization. Looking ahead, our approach opens up new theoretical studies of the relation between NS properties and the EOS, while effectively tackling the data analysis challenges brought by future detectors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Machine learning-aided inverse design for biogas upgrading through biological CO 2 conversion

The biogas upgrading process through bioconversion of CO 2 to CH 4 by hydrogenotrophic methanogens is an attractive strategy for energy decarbonation. Many studies have optimized operational parameters to improve key performance indicators such as CH 4 % and H 2 utilization efficiency. However, inconsistent laboratory conditions make it challenging to compare results. Existing models for analyzing operating conditions can only assess the impact of individual conditions and lack the ability to simultaneously optimize multiple conditions. To address this, two XGBoost models were built with R 2 of 0.779 and 0.903 with data collected from literatures and were embedded into multi-objective partitive swarm optimization algorithm to optimal operating conditions. Predictions were compared with experimental validations under optimized conditions, revealing an 8.50% and 2.95% relative error in CH 4 % and H 2 conversion rate, respectively. This approach streamlines biogas upgrading processes, offering a data-driven solution to enhance efficiency and consistency in the pursuit of sustainable methane production.

Biogas upgrading↗
NASA NTRS1989

Computing Optimal Multiarc Trajectories

Optimal Multi-Arc Trajectories (OMAT) computer program designed to calculate solution to optimal-trajectory problem in cases of low thrust-to-weight ratios. Developed for two-body exoatmospheric problem with three degrees of freedom in inverse-square force field. Offers two different options: impulsive changes in velocity and finite burns with low thrust-to-weight ratios. Two distinct solutions available from program: optimal multi-impulse (OMI) solution and optimal multiburn (OMB) solution. Two solutions obtained separately, or results of OMI solution used to guess unknown parameters of OMB solution. Written for DEC VAX-series computer. Written completely in FORTRAN 77.

Jezewski, Donald J.↗
DOE OSTI2021

Learning viscoelasticity models from indirect data using deep neural networks

In this study, we propose a novel approach to model viscoelasticity materials, where rate-dependent and non-linear constitutive relationships are approximated with deep neural networks. We assume that inputs and outputs of the neural networks are not directly observable, and therefore common training techniques with input–output pairs for the neural networks are inapplicable. To that end, we develop a novel computational approach to both calibrate parametric and learn neural-network-based constitutive relations of viscoelasticity materials from indirect displacement data in the context of multiple-physics systems. We show that limited displacement data holds sufficient information to quantify the viscoelasticity behavior. We formulate the inverse computation – modeling viscoelasticity properties from observed displacement data – as a PDE-constrained optimization problem and minimize the error functional using a gradient-based optimization method. The gradients are computed by a combination of automatic differentiation and implicit function differentiation rules. The effectiveness of our method is demonstrated through numerous benchmark problems in geomechanics and porous media transport.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A greedy Galerkin method to efficiently select sensors for linear dynamical systems

A key challenge in inverse problems is the selection of sensors to gather the most effective data. In this paper, we consider the problem of inferring the initial condition to a linear dynamical system and develop an efficient control-theoretical approach for greedily selecting sensors. Our method employs a Galerkin projection to reduce the size of the inverse problem, resulting in a computationally efficient algorithm for sensor selection. As a byproduct of our algorithm, we obtain a preconditioner for the inverse problem that enables the rapid recovery of the initial condition. Here, we analyze the theoretical performance of our greedy sensor selection algorithm as well as the performance of the associated preconditioner. Finally, we verify our theoretical results on various inverse problems involving partial differential equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

SHELXT – Integrated space-group and crystal-structure determination

SHELXT automates routine small-molecule structure determination starting from single-crystal reflection data, the Laue group and a reasonable guess as to which elements might be present. The new computer program SHELXT employs a novel dual-space algorithm to solve the phase problem for single-crystal reflection data expanded to the space group P1. Missing data are taken into account and the resolution extended if necessary. All space groups in the specified Laue group are tested to find which are consistent with the P1 phases. After applying the resulting origin shifts and space-group symmetry, the solutions are subject to further dual-space recycling followed by a peak search and summation of the electron density around each peak. Elements are assigned to give the best fit to the integrated peak densities and if necessary additional elements are considered. An isotropic refinement is followed for non-centrosymmetric space groups by the calculation of a Flack parameter and, if appropriate, inversion of the structure. The structure is assembled to maximize its connectivity and centred optimally in the unit cell. SHELXT has already solved many thousand structures with a high success rate, and is optimized for multiprocessor computers. It is, however, unsuitable for severely disordered and twinned structures because it is based on the assumption that the structure consists of atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Online adaptation and verification of VMAT

Purpose: This work presents a method for fast volumetric modulated arc therapy (VMAT) adaptation in response to interfraction anatomical variations. Additionally, plan parameters extracted from the adapted plans are used to verify the quality of these plans. The methods were tested as a prostate class solution and compared to replanning and to their current clinical practice. Methods: The proposed VMAT adaptation is an extension of their previous intensity modulated radiotherapy (IMRT) adaptation. It follows a direct (forward) planning approach: the multileaf collimator (MLC) apertures are corrected in the beam’s eye view (BEV) and the monitor units (MUs) are corrected using point dose calculations. All MLC and MU corrections are driven by the positions of four fiducial points only, without need for a full contour set. Quality assurance (QA) of the adapted plans is performed using plan parameters that can be calculated online and that have a relation to the delivered dose or the plan quality. Five potential parameters are studied for this purpose: the number of MU, the equivalent field size (EqFS), the modulation complexity score (MCS), and the components of the MCS: the aperture area variability (AAV) and the leaf sequence variability (LSV). The full adaptation and its separate steps were evaluated in simulation experiments involving a prostate phantom subjected to various interfraction transformations. The efficacy of the current VMAT adaptation was scored by target mean dose (CTV{sub mean}), conformity (CI{sub 95%}), tumor control probability (TCP), and normal tissue complication probability (NTCP). The impact of the adaptation on the plan parameters (QA) was assessed by comparison with prediction intervals (PI) derived from a statistical model of the typical variation of these parameters in a population of VMAT prostate plans (n = 63). These prediction intervals are the adaptation equivalent of the tolerance tables for couch shifts in the current clinical practice. Results: The proposed adaptation of a two-arc VMAT plan resulted in the intended CTV{sub mean} (Δ ≤ 3%) and TCP (ΔTCP ≤ 0.001). Moreover, the method assures the intended CI{sub 95%} (Δ ≤ 11%) resulting in lowered rectal NTCP for all cases. Compared to replanning, their adaptation is faster (13 s vs 10 min) and more intuitive. Compared to the current clinical practice, it has a better protection of the healthy tissue. Compared to IMRT, VMAT is more robust to anatomical variations, but it is also less sensitive to the different correction steps. The observed variations of the plan parameters in their database included a linear dependence on the date of treatment planning and on the target radius. The MCS is not retained as QA metric due to a contrasting behavior of its components (LSV and AAV). If three out of four plan parameters (MU, EqFS, AAV, and LSV) need to lie inside a 50% prediction interval (3/4—50%PI), all adapted plans will be accepted. In contrast, all replanned plans do not meet this loose criterion, mainly because they have no connection to the initially optimized and verified plan. Conclusions: A direct (forward) VMAT adaptation performs equally well as (inverse) replanning but is faster and can be extended to real-time adaptation. The prediction intervals for the machine parameters are equivalent to the tolerance tables for couch shifts in the current clinical practice. A 3/4—50%PI QA criterion accepts all the adapted plans but rejects all the replanned plans.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MO-G-201-01: A Multi-Institutional Study Investigating the Performance of a Knowledge-Based Planning System Against Pinnacle Auto-Planning Engine in SIB-IMRT for the Head-And-Neck Cancer

Purpose: Knowledge-based Planning (KBP) founded on prior planning experience and Auto-Planning Engine (APE; commercialized in Pinnacle v9.10 TPS) based on progressive optimization algorithm both aim to eliminate the trial-and-error process in radiotherapy inverse planning. This study investigates the performance of the approaches in a multi-institutional setting to evaluate their functionalities in oropharyngeal cancer and offers suggestions how they can be implemented in the clinic. Methods: Radboud University Medical Center (RUMC) provided 35 oropharyngeal cancer patients (SIB-IMRT with two-dose-level prescription: 68 Gy to PTV68 and 50.3 Gy to PTV50.3) with corresponding comparative APE plans. Johns Hopkins University (JHU) contributed to a three-dose-level (70 Gy 63 Gy and 58.1 Gy) plan library for RUMC’s patient KBP generation. MedStar Georgetown University Hospital (MGUH) contributed to a KBP approach employing overlap-volume histogram (OVH-KBP) for generating RUMC’s patient KBP plans using JHU’s plan library. Since both approaches need their own user-defined parameters as initial inputs the first 10 patients were set aside as training set to finalize them. Meanwhile cross-institutional comparisons and adjustments were implemented for investigating institutions’ protocol discrepancies and the approaches’ user-defined parameters were updated accordingly. The finalized parameters were then applied to the remaining 25 patients for OVH-KBP and APE generation. A Wilcoxon rank-sum test was used for statistical comparison with significance level of p<0.05. Results: On average PTV68’s V95 was 96.5% in APE plans vs. 97% in OVH-KBP plans (p=0.36); PTV50.3’s V95 in APE plans was 97.8% vs.97.6% in OVH-KBP plans (p=0.6); cord’s D0.1 cc was 38.6 Gy in OVH-KBP plans vs. 43.7 Gy in APE plans (p=0.0001); mean doses to larynxes oral cavities parotids and submandibular glands were similar with p>0.2. Conclusions: The study demonstrates that KBP and APE can generate plans of comparable quality in a multi-institutional setting. Variations in clinical protocols can be effectively addressed for cross-institutional adaptations. Binbin Wu and Todd McNutt are the co-inventors of a patent associated with the proposed knowledge-based planning system which was licensed to Varian Medical Systems in 2015; This research was in part supported by Philips Radiation Oncology Systems.

60 APPLIED LIFE SCIENCES↗