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NASA NTRS1988

Launch operations efficiency

The paper discusses launch operations from a program perspective. Launch operations cost is a significant part of program cost. New approaches to launch operations, integrated with lessons learned, have the potential to increase safety and reliability as well as reduce cost. Operational efficiency must be an initial program goal. Design technology and management philosophy must be implemented early to ensure operational cost goals. Manufacturing cost and launch cost are related to operational efficiency. True program savings can be realized through implementation of launch operations cost saving approaches which do not correspondingly increase cost in other program areas such as manufacturing and software development and maintenance. Launch rate is a key factor in the cost/flight analysis and the determination of launch operations efficiency goals.

Diloreto, Clem↗

NASA NTRS2020

Infrared Properties of High-Purity Silicon

High-purity silicon is a readily available material of utility in realizing a variety of long-wavelength optical and guided wave components. The transmittance of uncompensated for silicon is measured in the far- and mid-infrared regimes at room and cryogenic temperatures. The experimental and analysis techniques used to extract the refractive index from 100-1000 per cm (100–10µm) are presented, and the results are compared to the literature. An average refractive index below 300 per cm, n̂(300 K)=3.417 + i 8.9 x10(exp -5), which transitions in cooling to n̂(10 K)=3.389 + i 4.9 x 10(exp -6), is observed.

Edward J. Wollack↗

NASA NTRSDate not supplied

Eigenvalue Sensitivity Computations for Linear Stability Theory

To realize the drag reduction benefit of boundary-layer transition control strategies, it is crucial to integrate transition prediction into the vehicle design through an optimization process. The integration of transition prediction based on linear stability analysis into adjoint d design optimization requires coupling an adjoint enabled computational fluid dynamics (CFD) solver with an adjoint enabled linear stability code. In particular, the boundary-layer transition location is often predicted using the N-factor method based on linear stability theory (LST). Thus, sensitivity of the linear-stability eigenvalues constitute an essential building block for optimizing the laminar flow performance. The present paper describes an implementation of LST eigenvalue sensitivity analysis that can be easily coupled with a CFD solver. Specifically, we describe a discrete adjoint formulation for the transition location prediction based on the N-factor method. The verification of this formulation is carried out by comparing the adjoint-based sensitivity of the local growth rate of a given instability mode with respect to the disturbance frequency, and the adjoint-based sensitivity of the transition location with respect to spanwise wavenumber with those sensitivities computed using a finite-difference approximation. Finally, the adjoint LST formulation is applied to flat-plate boundary-layer flows at transonic, supersonic, and hypersonic conditions, to determine the behavior and sensitivities of the transition location with respect to a range of disturbance spanwise wavenumbers.

Boundary Layer Transition↗

DOE OSTI2018

Thermal link design for conduction cooling of SRF cavities using cryocoolers

Superconducting radio frequency (SRF) cavities with quality factors ~1010 near 4 K have potential to be cooled using re-generative-cycle cryocoolers. Contrary to using liquid helium, cry-ogen-free operation can be realized by conductively linking a cavity to a cryocooler. The cavity-cryocooler thermal link needs careful design for balancing cooling capacity of the cryocooler with the dissipation rate in the cavity. We present a thermal analysis of a conduction-cooled SRF cavity that identifies the link thermal con-ductance requirement. The analysis uses published or expected RF dissipation characteristics of an Nb3Sn coated niobium cavity and in-house measured cooling capacity of a commercial pulse tube cryocooler. We describe mechanical design of a link that is con-structed using commercial high-purity aluminum and facilitates bolted-connection to elliptical SRF cavities. The thermal perfor-mance of the link is assessed by finite element simulations, taking into account temperature dependent thermal conductivities and measured thermal contact resistance of aluminum and niobium. The link is shown to support operation at an accelerating gradient of 10 MV/m with the lowest-known ‘perfect’ Nb3Sn surface re-sistance (10 nΩ) and also under non-ideal cases that assume certain static heat leak into the system and non-perfect Nb3Sn coatings

43 PARTICLE ACCELERATORS↗

DOE OSTI2019

Submodule Capacitor Reduction for a 1 MVA SiC-Based Modular Multilevel Converter Motor Drive using High Frequency Common-Mode Voltage Injection

This paper describes a strategy to reduce the size of submodule capacitors of a 1 MVA, 0-1 kHz, 7-level modular multilevel converter (MMC) based medium voltage variable speed drive (MVVSD) using 1.7 kV SiC MOSFETs. Hardware designs of submodules to withstand high dv/dt and capacitor selection based on common mode voltage injection have been presented in literature. The issue with injection is the error in tracking of injected circulation current which results in fundamental frequency fluctuations in the submodule capacitor voltage. This paper presents a strategy for higher frequency sinusoidal common mode voltage based on more accurate tracking of the circulating current; realized through an improved control strategy combined with a higher switching frequency. Using the methods presented in this paper, a smaller submodule capacitance and reduced output current THD of the motor drive is achieved. A loss analysis model is proposed to evaluate the effect of the proposed strategy on the MMC efficiency. This helps balance the reduction in the capacitor against the increase in the losses as a result of increased switching frequency. Simulations and a down-scaled experimental setup are used to demonstrate this concept.

Potty, Karun↗

DOE OSTI2017

Basic Energy Sciences Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Basic Energy Sciences, November 3-5, 2015, Rockville, Maryland

Computers have revolutionized every aspect of our lives. Yet in science, the most tantalizing applications of computing lie just beyond our reach. The current quest to build an exascale computer with one thousand times the capability of today’s fastest machines (and more than a million times that of a laptop) will take researchers over the next horizon. The field of materials, chemical reactions, and compounds is inherently complex. Imagine millions of new materials with new functionalities waiting to be discovered — while researchers also seek to extend those materials that are known to a dizzying number of new forms. We could translate massive amounts of data from high precision experiments into new understanding through data mining and analysis. We could have at our disposal the ability to predict the properties of these materials, to follow their transformations during reactions on an atom-by-atom basis, and to discover completely new chemical pathways or physical states of matter. Extending these predictions from the nanoscale to the mesoscale, from the ultrafast world of reactions to long-time simulations to predict the lifetime performance of materials, and to the discovery of new materials and processes will have a profound impact on energy technology. In addition, discovery of new materials is vital to move computing beyond Moore’s law. To realize this vision, more than hardware is needed. New algorithms to take advantage of the increase in computing power, new programming paradigms, and new ways of mining massive data sets are needed as well. This report summarizes the opportunities and the requisite computing ecosystem needed to realize the potential before us. In addition to pursuing new and more complete physical models and theoretical frameworks, this review found that the following broadly grouped areas relevant to the U.S. Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR) would directly affect the Basic Energy Sciences (BES) mission need. Simulation, visualization, and data analysis are crucial for advances in energy science and technology. Revolutionary mathematical, software, and algorithm developments are required in all areas of BES science to take advantage of exascale computing architectures and to meet data analysis, management, and workflow needs. In partnership with ASCR, BES has an emerging and pressing need to develop new and disruptive capabilities in data science. More capable and larger high-performance computing (HPC) and data ecosystems are required to support priority research in BES. Continued success in BES research requires developing the next-generation workforce through education and training and by providing sustained career opportunities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Leveraging Intrinsic Principal Directions for Multifidelity Uncertainty Quantification

In this work we propose an approach for accelerating Uncertainty Quantification (UQ) analysis in the context of Multifidelity applications. In the presence of complex multiphysics applications, which often require a prohibitive computational cost for each evaluation, multifidelity UQ techniques try to accelerate the convergence of statistics by leveraging the in- formation collected from a larger number of a lower fidelity model realizations. However, at the-state-of-the-art, the performance of virtually all the multifidelity UQ techniques is related to the correlation between the high and low-fidelity models. In this work we proposed to design a multifidelity UQ framework based on the identification of independent important directions for each model. The main idea is that if the responses of each model can be represented in a common space, this latter can be shared to enhance the correlation when the samples are drawn with respect to it instead of the original variables. There are also two main additional advantages that follow from this approach. First, the models might be correlated even if their original parametrizations are chosen independently. Second, if the shared space between models has a lower dimensionality than the original spaces, the UQ analysis might benefit from a dimension reduction standpoint. In this work we designed this general framework and we also tested it on several test problems ranging from analytical functions for verification purpose, up to more challenging application problems as an aero-thermo-structural analysis and a scramjet flow analysis.

42 ENGINEERING↗

DOE OSTI2015

Bowtie filters for dedicated breast CT: Theory and computational implementation

Purpose: To design bowtie filters with improved properties for dedicated breast CT to improve image quality and reduce dose to the patient. Methods: The authors present three different bowtie filters designed for a cylindrical 14-cm diameter phantom with a uniform composition of 40/60 breast tissue, which vary in their design objectives and performance improvements. Bowtie design #1 is based on single material spectral matching and produces nearly uniform spectral shape for radiation incident upon the detector. Bowtie design #2 uses the idea of basis material decomposition to produce the same spectral shape and intensity at the detector, using two different materials. Bowtie design #3 eliminates the beam hardening effect in the reconstructed image by adjusting the bowtie filter thickness so that the effective attenuation coefficient for every ray is the same. All three designs are obtained using analytical computational methods and linear attenuation coefficients. Thus, the designs do not take into account the effects of scatter. The authors considered this to be a reasonable approach to the filter design problem since the use of Monte Carlo methods would have been computationally intensive. The filter profiles for a cone-angle of 0° were used for the entire length of each filter because the differences between those profiles and the correct cone-beam profiles for the cone angles in our system are very small, and the constant profiles allowed construction of the filters with the facilities available to us. For evaluation of the filters, we used Monte Carlo simulation techniques and the full cone-beam geometry. Images were generated with and without each bowtie filter to analyze the effect on dose distribution, noise uniformity, and contrast-to-noise ratio (CNR) homogeneity. Line profiles through the reconstructed images generated from the simulated projection images were also used as validation for the filter designs. Results: Examples of the three designs are presented. Initial verification of performance of the designs was done using analytical computations of HVL, intensity, and effective attenuation coefficient behind the phantom as a function of fan-angle with a cone-angle of 0°. The performance of the designs depends only weakly on incident spectrum and tissue composition. For all designs, the dynamic range requirement on the detector was reduced compared to the no-bowtie-filter case. Further verification of the filter designs was achieved through analysis of reconstructed images from simulations. Simulation data also showed that the use of our bowtie filters can reduce peripheral dose to the breast by 61% and provide uniform noise and CNR distributions. The bowtie filter design concepts validated in this work were then used to create a computational realization of a 3D anthropomorphic bowtie filter capable of achieving a constant effective attenuation coefficient behind the entire field-of-view of an anthropomorphic breast phantom. Conclusions: Three different bowtie filter designs that vary in performance improvements were described and evaluated using computational and simulation techniques. Results indicate that the designs are robust against variations in breast diameter, breast composition, and tube voltage, and that the use of these filters can reduce patient dose and improve image quality compared to the no-bowtie-filter case.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Extraordinary Magnetic Response of an Anisotropic 2D Antiferromagnet via Site Dilution

A prominent characteristic of 2D magnetic systems is the enhanced spin fluctuations, which reduce the ordering temperature. We report that a magnetic field of only 1000th of the Heisenberg superexchange interaction can induce a crossover, which for practical purposes is the effective ordering transition, at temperatures about 6 times the Néel transition in a site-diluted two-dimensional anisotropic quantum antiferromagnet. Such a strong magnetic response is enabled because the system directly enters the antiferromagnetically ordered state from the isotropic disordered state, skipping the intermediate anisotropic stage. The underlying mechanism is achieved on a pseudospin-half square lattice realized in the [(SrIrO3)1/(SrTiO3)2] superlattice thin film that is designed to linearly couple the staggered magnetization to external magnetic fields by virtue of the rotational symmetry-preserving Dzyaloshinskii–Moriya interaction. Furthermore, our model analysis shows that the skipping of the anisotropic regime despite finite anisotropy is due to the enhanced isotropic fluctuations under moderate dilution.

2D antiferromagnet↗

DOE OSTI2023

Circularity in polymers: addressing performance and sustainability challenges using dynamic covalent chemistries

The circularity of current and future polymeric materials is a major focus of fundamental and applied research, as undesirable end-of-life outcomes and waste accumulation are global problems that impact our society. The recycling or repurposing of thermoplastics and thermosets is an attractive solution to these issues, yet both options are encumbered by poor property retention upon reuse, along with heterogeneities in common waste streams that limit property optimization. Dynamic covalent chemistry, when applied to polymeric materials, enables the targeted design of reversible bonds that can be tailored to specific reprocessing conditions to help address conventional recycling challenges. In this review, we highlight the key features of several dynamic covalent chemistries that can promote closed-loop recyclability and we discuss recent synthetic progress towards incorporating these chemistries into new polymers and existing commodity plastics. Next, we outline how dynamic covalent bonds and polymer network structure influence thermomechanical properties related to application and recyclability, with a focus on predictive physical models that describe network rearrangement. Finally, we examine the potential economic and environmental impacts of dynamic covalent polymeric materials in closed-loop processing using elements derived from techno-economic analysis and life-cycle assessment, including minimum selling prices and greenhouse gas emissions. Throughout each section, we discuss interdisciplinary obstacles that hinder the widespread adoption of dynamic polymers and present opportunities and new directions toward the realization of circularity in polymeric materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Numerical simulations of the first operational conditions of the negative ion test facility SPIDER

In view of the realization of the negative ion beam injectors for ITER, a test facility, named SPIDER, is under construction in Padova (Italy) to study and optimize production and extraction of negative ions. The present paper is devoted to the analysis of the expected first operations of SPIDER in terms of single-beamlet and multiple-beamlet simulations of the hydrogen beam optics in various operational conditions. The effectiveness of the methods adopted to compensate for the magnetic deflection of the particles is also assessed. Indications for a sequence of the experimental activities are obtained.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Electron density profile and associated fluctuation measurements using a microwave reflectometry diagnostic on Helically Symmetric eXperiment (HSX)

Abstract A dual-band frequency-modulated reflectometry is employed on the Helically Symmetric eXperiment (HSX) stellarator. This system equips a fast PIN switch to alternate the frequency source between two voltage-controlled oscillators, providing an operational frequency range from 14.5 GHz to 25.5 GHz. A monostatic antenna geometry and an ellipsoidal mirror are implemented in the vessel of HSX, where the polarization of the transmitted microwave can be switched between O- and X-mode to accommodate the magnetic field and plasma density. Although the original system was designed for density fluctuation measurement, significant efforts have been undertaken to improve the system performance and to realize the density profile inversion. Recent improvements of the system reported here include calibration of the dispersion in the transmission line, optimization of the waveform, and implementation of the Choi-Williams time–frequency distribution for spectral analysis. In this paper, we present the optimization of the reflectometry system along with first experimental measurements of the density profile and observations of fluctuations during gas puffing experiments.

Han, X. (ORCID:0000000184986433)↗

DOE OSTI2013

A modal approach to the numerical calculation of primordial non-Gaussianities

We propose a new method to numerically calculate higher-order correlation functions of primordial fluctuations generated from any early-universe scenario. Our key-starting point is the realization that the tree-level In-In formalism is intrinsically separable. This enables us to use modal techniques to efficiently calculate and represent non-Gaussian shapes in a separable form well suited to data analysis. We prove the feasibility and the accuracy of our method by applying it to simple single-field inflationary models in which analytical results are available, and we perform non-trivial consistency checks like the verification of the single field consistency relation. We also point out that the iε prescription is automatically taken into account in our method, preventing the need for ad-hoc tricks to implement it numerically.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

SU-E-I-81: Assessment of CT Radiation Dose and Image Quality for An Automated Tube Potential Selection Algorithm Using Adult Anthropomorphic and ACR Phantoms

Purpose: To assess the impact of General Electrics (GE) automated tube potential algorithm, kV assist (kVa) on radiation dose and image quality, with an emphasis on optimizing protocols based on noise texture. Methods: Radiation dose was assessed by inserting optically stimulated luminescence dosimeters (OSLs) throughout the body of an adult anthropomorphic phantom (CIRS). The baseline protocol was: 120 kVp, Auto mA (180 to 380 mA), noise index (NI) = 14, adaptive iterative statistical reconstruction (ASiR) of 20%, 0.8s rotation time. Image quality was evaluated by calculating the contrast to noise ratio (CNR) and noise power spectrum (NPS) from the ACR CT accreditation phantom. CNRs were calculated according to the steps described in ACR CT phantom testing document. NPS was determined by taking the 3D FFT of the uniformity section of the ACR phantom. NPS and CNR were evaluated with and without kVa and for all available adaptive iterative statistical reconstruction (ASiR) settings, ranging from 0 to 100%. Each NPS was also evaluated for its peak frequency difference (PFD) with respect to the baseline protocol. Results: The CNR for the adult male was found to decrease from CNR = 0.912 ± 0.045 for the baseline protocol without kVa to a CNR = 0.756 ± 0.049 with kVa activated. When compared against the baseline protocol, the PFD at ASiR of 40% yielded a decrease in noise magnitude as realized by the increase in CNR = 0.903 ± 0.023. The difference in the central liver dose with and without kVa was found to be 0.07%. Conclusion: Dose reduction was insignificant in the adult phantom. As determined by NPS analysis, ASiR of 40% produced images with similar noise texture to the baseline protocol. However, the CNR at ASiR of 40% with kVa fails to meet the current ACR CNR passing requirement of 1.0.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Application of computational fluid dynamics for the simulation of cryogenic molecular sieve bed absorber of hydrogen isotopes recovery system for Indian LLCB-TBM

One of the most challenging tasks in the design of the fuel cycle system lies in the effective design of Tritium Extraction System (TES) which involves proper extraction and purification of tritium in the fuel cycle of the fusion reactor. Indian Lead Lithium cooled Ceramic Breeder Test Blanket Module (LLCB-TBM) would extract hydrogen isotopes through Cryogenic Molecular Sieve Bed (CMSB) adsorber system. A prototype Hydrogen Isotopes Recovery System (HIRS) is being developed to validate the concepts for tritium extraction by adsorption mass transfer mechanism. In this study, a design model has been developed and analyzed to simulate the adsorption mass transfer kinetics in a fixed bed adsorption column. The simulation leads primarily to effective design of HIRS, which is a state-of-the-art technology. The paper describes the process simulation approach and the results of Computational Fluid Dynamics (CFD) analysis. The effects of different operating conditions are studied to investigate their influence on the hydrogen isotopes adsorption capacity. The results of the present simulation study would be used to understand the best optimized transport phenomenon before realizing the TES as a system for LLCB-TBM. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Fuel Assembly Shaker Test Simulation

This report describes the modeling of a PWR fuel assembly under dynamic shock loading in support of the Sandia National Laboratories (SNL) shaker test campaign. The focus of the test campaign is on evaluating the response of used fuel to shock and vibration loads that a can occur during highway transport. Modeling began in 2012 using an LS-DYNA fuel assembly model that was first created for modeling impact scenarios. SNL’s proposed test scenario was simulated through analysis and the calculated results helped guide the instrumentation and other aspects of the testing. During FY 2013, the fuel assembly model was refined to better represent the test surrogate. Analysis of the proposed loads suggested the frequency band needed to be lowered to attempt to excite the lower natural frequencies of the fuel assembly. Despite SNL’s expansion of lower frequency components in their five shock realizations, pretest predictions suggested a very mild dynamic response to the test loading. After testing was completed, one specific shock case was modeled, using recorded accelerometer data to excite the model. Direct comparison of predicted strain in the cladding was made to the recorded strain gauge data. The magnitude of both sets of strain (calculated and recorded) are very low, compared to the expected yield strength of the Zircaloy-4 material. The model was accurate enough to predict that no yielding of the cladding was expected, but its precision at predicting micro strains is questionable. The SNL test data offers some opportunity for validation of the finite element model, but the specific loading conditions of the testing only excite the fuel assembly to respond in a limited manner. For example, the test accelerations were not strong enough to substantially drive the fuel assembly out of contact with the basket. Under this test scenario, the fuel assembly model does a reasonable job of approximating actual fuel assembly response, a claim that can be verified through direct comparison of model results to recorded test results. This does not offer validation for the fuel assembly model in all conceivable cases, such as high kinetic energy shock cases where the fuel assembly might lift off the basket floor to strike to basket ceiling. This type of nonlinear behavior was not witnessed in testing, so the model does not have test data to be validated against.a basis for validation in cases that substantially alter the fuel assembly response range. This leads to a gap in knowledge that is identified through this modeling study. The SNL shaker testing loaded a surrogate fuel assembly with a certain set of artificially-generated time histories. One thing all the shock cases had in common was an elimination of low frequency components, which reduces the rigid body dynamic response of the system. It is not known if the SNL test cases effectively bound all highway transportation scenarios, or if significantly greater rigid body motion than was tested is credible. This knowledge gap could be filled through modeling the vehicle dynamics of a used fuel conveyance, or by collecting acceleration time history data from an actual conveyance under highway conditions.

Klymyshyn, Nicholas A.↗

DOE OSTI2023

Sugar accumulation enhancement in sorghum stem is associated with reduced reproductive sink strength and increased phloem unloading activity

Sweet sorghum has emerged as a promising source of bioenergy mainly due to its high biomass and high soluble sugar yield in stems. Studies have shown that loss-of-function Dry locus alleles have been selected during sweet sorghum domestication, and decapitation can further boost sugar accumulation in sweet sorghum, indicating that the potential for improving sugar yields is yet to be fully realized. To maximize sugar accumulation, it is essential to gain a better understanding of the mechanism underlying the massive accumulation of soluble sugars in sweet sorghum stems in addition to the Dry locus. We performed a transcriptomic analysis upon decapitation of near-isogenic lines for mutant (d, juicy stems, and green leaf midrib) and functional (D, dry stems and white leaf midrib) alleles at the Dry locus. Our analysis revealed that decapitation suppressed photosynthesis in leaves, but accelerated starch metabolic processes in stems. SbbHLH093 negatively correlates with sugar levels supported by genotypes (DD vs. dd), treatments (control vs. decapitation), and developmental stages post anthesis (3d vs.10d). D locus gene SbNAC074A and other programmed cell death-related genes were downregulated by decapitation, while sugar transporter-encoding gene SbSWEET1A was induced. Both SbSWEET1A and Invertase 5 were detected in phloem companion cells by RNA in situ assay. Loss of the SbbHLH093 homolog, AtbHLH093, in Arabidopsis led to a sugar accumulation increase. This study provides new insights into sugar accumulation enhancement in bioenergy crops, which can be potentially achieved by reducing reproductive sink strength and enhancing phloem unloading.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1972

Fundamental principles of absolute radiometry and the philosophy of this NBS program (1968 to 1971)

A description is given work performed on a program to develop an electrically calibrated detector (also called absolute radiometer, absolute detector, and electrically calibrated radiometer) that could be used to realize, maintain, and transfer a scale of total irradiance. The program includes a comprehensive investigation of the theoretical basis of absolute detector radiometry, as well as the design and construction of a number of detectors. A theoretical analysis of the sources of error is also included.

Geist, J.↗