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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 1,297 records · Page 72

Demand access communications for TDRSS users

The Tracking and Data Relay Satellite System (TDRSS) has long been used to provide reliable low and high-data rate relay services between user spacecraft in Earth orbit and the ground. To date, these TDRSS services have been implemented via prior scheduling based upon estimates of user needs and mission event timelines. While this approach may be necessary for large users that require greater amounts of TDRSS resources, TDRSS can potentially offer the planned community of smaller science missions (e.g., the small explorer missions), and other emerging users, the unique opportunity for services on demand. In particular, innovative application of the existing TDRSS Multiple Access (MA) subsystem, with its phased array antenna, could be used to implement true demand access services without modification to either the TDRSS satellites or the user transponder, thereby introducing operational and performance benefits to both the user community and the Space Network. In this paper, candidate implementations of demand access service via the TDRSS MA subsystem are examined in detail. Both forward and return link services are addressed and a combination of qualitative and quantitative assessments are provided. The paper also identifies further areas for investigation in this ongoing activity that is being conducted by GSFC/Code 531 under the NASA Code O Advanced Systems Program.

Zillig, David↗

Photovoltaics and Firefighters' Operations: Best Practices in Selected Countries

Components of photovoltaic (PV) systems undergo rigorous safety and reliability testing protocols during manufacturing and fulfill the electrical safety requirements established by various codes and standards. These systems do not pose health, safety, or environmental risks under normal operating conditions if properly installed and maintained by trained personnel as required by electrical codes. However, with the ever-growing deployment of PV systems globally and the myriad of applications - from traditional rooftop and ground-mounted installations to more advanced building-integrated and facade systems - it is becoming increasingly important to develop practices and share knowledge on the safe management and risk mitigation of PV systems under non-routine circumstances. This focus includes conditions in which firefighters encounter a PV system that may have been installed improperly or has become damaged. This report aims to facilitate the exchange of knowledge on the best practices and standards of firefighters' operations in relation to selected countries with considerable deployment of PV systems.

14 SOLAR ENERGY↗

Modification and Development of a Control Mechanism for the Scanning Microwave Limb Sounder

The scanning microwave limb sounder (SMLS) is the latest instrument to probe the Earth's atmosphere to come out of the Microwave Limb Sounder (MLS) team. Once deployed to the upper stratosphere, it will use microwave detection to measure geo-atmospheric variables such as temperature, pressure, and chemical composition. In addition to previous missions that used vertical limb scans to observe altitudinal variations, the SMLS will rotate laterally allowing it to establish two-dimensional variable dependencies with a single run. A program was originated by a previous intern that will automatically control the movement of the two rotational axes along with a switching mirror and chopper once the instrument is in flight. However, it lacked the code essential to control system's ability to function fully and reliably. By modifying and rewriting parts of the code I sought to have a finished ready-for-flight control system that would be easy to navigate. Three of the major alterations I made including instituting a gyroscope, implementing a restart button, and instigating the automatic creation of a file log with each run to record the position and orientation of the SMLS.

Scanning Microwave Limb Sounder (SMLS)↗

Exploiting fission chain reaction dynamics to image fissile materials

Radiation imaging is one potential method to verify nuclear weapons dismantlement. In this work, we present a method to discriminate between non-multiplying and multiplying neutron sources using a neutron coded aperture imaging system. This method applies time-correlated pulse-height (TCPH) analysis to identify neutrons in fission chain reactions and recreate images using only these events. This analysis was applied to measurements of weapons-grade plutonium (WGPu) metal and 252 Cf performed at the Nevada National Security Site (NNSS) Device Assembly Facility in July 2015. The results demonstrate it is possible to eliminate the non-fissile 252 Cf source from the image while preserving the fissile WGPu source. TCPH analysis was also applied to additional scenes in which the WGPu and 252 Cf sources were measured individually. The results of these separate measurements further demonstrate the ability to remove the non-fissile 252 Cf source and retain the fissile WGPu source. Simulations performed using MCNPX-PoliMi indicate that in a one hour measurement, hollow WGPu spheres are retained at a 1σ level for neutron multiplications M ≃ 2:7 and above. This work has potential application to dismantlement verification where it may be valuable to verify that all neutron sources in an image are multiplying.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Algebraic geometric codes

The performance characteristics are discussed of certain algebraic geometric codes. Algebraic geometric codes have good minimum distance properties. On many channels they outperform other comparable block codes; therefore, one would expect them eventually to replace some of the block codes used in communications systems. It is suggested that it is unlikely that they will become useful substitutes for the Reed-Solomon codes used by the Deep Space Network in the near future. However, they may be applicable to systems where the signal to noise ratio is sufficiently high so that block codes would be more suitable than convolutional or concatenated codes.

Shahshahani, M.↗

A Probabilistic Approach to Technology Identification, Evaluation, and Selection for Affordable Transport Concepts

Most grant goals were accomplished over the course of the grant, albeit only partial success was achieved in applying ASDL s existing advanced design methods to HAVOC. The limited success in applying ASDL's advanced design methods occurred due to: fundamental 20 of 197 limitations in the RSM metamodeling process used; the highly computationally intensive nature of HAVOC as compared to many other advanced system synthesis and sizing codes; and the highly curved nature of low I(sub sp) rocket system spaces. These challenges encountered during the grant led to ongoing efforts in more efficient and robust sequential metamodeling/surrogate optimization based advanced design methods which are expected to overcome all of the challenges encountered with RSM during the grant. Other achievements over the course of the grant included the documentation of the existing HAVOC cost module and formulation of new cost estimation relationships in support of APS analysis of 3rd Gen RLV. Further achievements beyond the scope of the grant as originally defined were also achieved such as HAVOC code and portability improvements, historical propulsion performance and reliability regression relationships, and new visualization routines to vacilitate visualization of HAVOC DOE case file results.

Source record↗

HAL/S-FC compiler system functional specification

Compiler organization is discussed, including overall compiler structure, internal data transfer, compiler development, and code optimization. The user, system, and SDL interfaces are described, along with compiler system requirements. Run-time software support package and restrictions and dependencies are also considered of the HAL/S-FC system.

Source record↗

Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study

This benchmark provides the first rigorous test of a three-isotope system [ 12 C, 13 C, and 14 C] subject to the combined effects of radioactive decay and both stable equilibrium and kinetic fractionation. We present a series of problems building in complexity based on the cycling of carbon in both organic and inorganic forms. The key components implement (1) equilibrium fractionation between multiple coexisting carbon species as a function of pH, (2) radioactive decay of radiocarbon with associated mass-dependent speciation demonstrating appropriate correction of the Δ 14 C value in agreement with reporting convention, and (3) kinetic stable isotope fractionation due to the oxidation of organic carbon to inorganic forms as a function of time and space in an open, through-flowing system. Participating RTM codes are CrunchTope, ToughReact, Hytec, and The Geochemist’s Workbench. Across all problem levels, simulation results from all RTMs demonstrate good agreement.

58 GEOSCIENCES↗

A simulation of I 2 S-LWR selected transients

The Integral Inherently Safe (I 2 S-LWR) reactor was designed to improve the safety performance of PWR types reactors, and several design basis accidents were eliminated using innovative approaches to the I 2 S-LWR plant layout. However, some accidents such as station blackout (SBO), main steam line break (MSLB) type accident – the secondary hot leg break (SHLB) – were deemed statistically relevant, and the work performed here was to simulate these events using the system thermal–hydraulics code RELAP5 coupled to the 3D spatial kinetics code PARCS. The safety response of the reactor to a station blackout is predicted to be acceptable at both beginning of cycle (BOC) and end of cycle EOC core conditions with either the UO 2 or U 3 Si 2 fuel options considered here. In the analysis of the SHLB performed here, an unprotected (no SCRAM) condition was assumed to highlight the I 2 S-LWR capabilities. Results indicate that with the UO 2 core, the fuel temperatures rise notably, but no fuel melting was predicted and departure from nucleate boiling ratio (DNBR) limits were not exceeded. Similarly, the U 3 Si 2 fuel performed well, but with lower fuel temperatures and decreased DNBR. Following the break of the steam line in the I 2 S-LWR, shutdown is achieved after about two minutes via negative reactivity from loss of primary flow. In all cases considered, the I 2 S-LWR appears to accomplish the goals of increased safety performance. Further design improvements and other fuel options may marginally improve on the observed safety performance. Additionally, higher fidelity analysis with the next generation subchannel, Computational Fluid Dynamics (CFD), or full core transport may be useful in refining the prediction of the peak fuel and cladding temperatures, as well limiting DNBR during the accidents.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phenomena identification and ranking table study for thermal hydraulics for Advanced High Temperature Reactor

The Advanced High-Temperature Reactor (AHTR) is a conceptual design of a Fluoride salt-cooled High-temperature Reactor (FHR) utilizing 7 LiF-BeF 2 (66-34 mol%) as its primary coolant. To identify key phenomena that impose potential challenges on thermal hydraulics modeling and simulation of such a reactor system, a thermal hydraulics phenomena identification and ranking table (TH-PIRT) study was performed for the AHTR in a Department of Energy Nuclear Energy University Program (NEUP) integrated research project led by Georgia Institute of Technology. A panel of experts from regulators, industries, national laboratories, and academia was assembled for the study. In this paper, the TH-PIRTs identified by the panel for two events, namely, station blackout and simultaneous withdrawal of all control rods, are summarized and discussed in detail. In addition, the key phenomena that warrant further study and research for AHTR analysis are identified to support the validation of thermal hydraulics system-level analysis codes and computational fluid dynamics simulation tools, as well as future FHR reactor licensing.

42 ENGINEERING↗

GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations

LS3DF, namely linear scaling three-dimensional fragment method, is an efficient linear scaling ab initio total energy electronic structure calculation code based on a divide-and-conquer strategy. In this paper, we present our GPU implementation of the LS3DF code. Our test results show that the GPU code can calculate systems with about ten thousand atoms fully self-consistently in the order of 10 min using thousands of computing nodes. This makes the electronic structure calculations of 10,000-atom nanosystems routine work. This speed is 4.5–6 times faster than the CPU calculations using the same number of nodes on the Titan machine in the Oak Ridge leadership computing facility (OLCF). Such speedup is achieved by (a) carefully re-designing of the computationally heavy kernels; (b) redesign of the communication pattern for heterogeneous supercomputers.

Computer Science↗

Closed-loop simulation with Grad-Shafranov equilibrium evolution for plasma control system development

Plasma control design increasingly depends on fast simulations able to connect to operational plasma control system (PCS) software for iterative development. GSevolve is a nonlinear free-boundary simulation that evolves the Grad-Shafranov equilibrium including current and pressure profiles, and can connect to all versions of the DIII-D PCS operational on devices around the world. Its ability to simulate the evolution of current continuously from open to closed field lines enables GSevolve to simulate full-discharge control from breakdown through plasma termination. GSevolve is compliant with the Plasma Control System Simulation Platform (PCSSP), a Matlab/Simulink®-based environment that serves as the primary framework for development of the ITER Plasma Control System (PCS). The code employs a novel response function-updating scheme to achieve fast simulations. The plasma evolves linearly until a significant shape change triggers a nonlinear update of the response while enforcing a prescribed accuracy. Old responses are recalled if the plasma changes back to an old shape. The equilibrium is a function of a state vector containing axisymmetric conductor currents and parameters related to parallel and perpendicular currents, which evolves according to an efficient state space circuit formulation. Control design and validation results are presented for simulations of DIII-D and EAST, connected to their corresponding versions of the DIII-D PCS.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A moment-based kinetic theory model for polydisperse gas–particle flows

Starting from a generalized population balance equation and the Boltzmann–Enskog collision model for hard spheres, a kinetic theory model for polydisperse gas–particle flows is introduced. Here, polydispersity results from spherical particles with the same material density but different diameters. The particle size distribution (PSD) of the particles is allowed to evolve in space and time due to physical processes such as mixing. In order to treat a continuous PSD, the particle-phase model is formulated in terms of the moments of the PSD, and velocity moments conditioned on the particle size. Velocity moments up to second order are included, resulting in transport equations for the mass, momentum and granular temperature, all conditioned on the particle size. In the numerical implementation, the PSD is represented using quadrature-based moment methods (QBMM). With QBMM, a continuous PSD can be treated using a relatively small number of moments as compared to class or sectional methods. In this work, a realizable numerical algorithm for solving the moment system in a finite-volume code is proposed, valid for dilute systems wherein frictional forces are negligible. The ability of the proposed model to describe polydisperse gas–particle systems is demonstrated using cluster-induced turbulence and riser flow.

42 ENGINEERING↗

tinyIFD: A High-Throughput Binding Pose Refinement Workflow Through Induced-Fit Ligand Docking

A critical step in structure-based drug discovery is predicting whether and how a candidate molecule binds to a model of a therapeutic target. However, substantial protein side chain movements prevent current screening methods, such as docking, from accurately predicting the ligand conformations and require expensive refinements to produce viable candidates. Here, we present the development of a high-throughput and flexible ligand pose refinement workflow, called “tinyIFD”. The main features of the workflow include the use of specialized high-throughput, small-system MD simulation code mdgx.cuda and an actively learning model zoo approach. We show the application of this workflow on a large test set of diverse protein targets, achieving 66% and 76% success rates for finding a crystal-like pose within the top-2 and top-5 poses, respectively. We also applied this workflow to the SARS-CoV-2 main protease (M pro ) inhibitors, where we demonstrate the benefit of the active learning aspect in this workflow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Continuous Integration, In-Code Documentation, and Automation for Nuclear Quality Assurance Conformance

The Multiphysics Object Oriented Simulation Environment (MOOSE) is an open-source, finite element framework for solving highly coupled sets of nonlinear equations. The development of the framework and applications occurs concurrently using an agile, continuous-integration software package. Included in the framework is an in-code, extensible documentation system. Using these two tools in union with the repository management tools GitHub and GitLab, a software quality plan was created and followed such that MOOSE and a MOOSE-based application (BISON) have been shown to meet the American Society of Mechanical Engineers’ Nuclear Quality Assurance-1 standard. The approach relies heavily on automation for both testing and documentation. The resulting effort demonstrates that a rigorous software quality plan may be implemented that incurs a minimal impact on day-to-day development of the software, satisfying the stringent guidelines necessary to operate the software in a safety function within a nuclear facility.

97 MATHEMATICS AND COMPUTING↗

Long-term 3D MHD simulations of black hole accretion discs formed in neutron star mergers

ABSTRACT We examine the long-term evolution of accretion tori around black hole (BH) remnants of compact object mergers involving at least one neutron star, to better understand their contribution to kilonovae and the synthesis of r-process elements. To this end, we modify the unsplit magnetohydrodynamic (MHD) solver in flash 4.5 to work in non-uniform three-dimensional spherical coordinates, enabling more efficient coverage of a large dynamic range in length scales while exploiting symmetries in the system. This modified code is used to perform BH accretion disc simulations that vary the initial magnetic field geometry and disc compactness, utilizing a physical equation of state, a neutrino leakage scheme for emission and absorption, and modelling the BH’s gravity with a pseudo-Newtonian potential. Simulations run for long enough to achieve a radiatively inefficient state in the disc. We find robust mass ejection with both poloidal and toroidal initial field geometries, and suppressed outflow at high disc compactness. With the included physics, we obtain bimodal velocity distributions that trace back to mass ejection by magnetic stresses at early times, and to thermal processes in the radiatively inefficient state at late times. The electron fraction distribution of the disc outflow is broad in all models, and the ejecta geometry follows a characteristic hourglass shape. We test the effect of removing neutrino absorption or nuclear recombination with axisymmetric models, finding ${\sim} 50{{\ \rm per\ cent}}$ less mass ejection and more neutron-rich composition without neutrino absorption, and a subdominant contribution from nuclear recombination. Tests of the MHD and neutrino leakage implementations are included.

Fahlman, Steven (ORCID:0000000348759940)↗

Time-dependent variational principle for mixed matrix product states in the thermodynamic limit

Here, we describe a time evolution algorithm for quantum spin chains whose Hamiltonians are composed of an infinite uniform left and right bulk part, and an arbitrary finite region in between. The left and right bulk parts are allowed to be different from each other. The algorithm is based on the time-dependent variational principle (TDVP) of matrix product states. It is inversion-free and very simple to adapt from an existing TDVP code for finite systems. The importance of working in the projective Hilbert space is highlighted. We study the quantum Ising model as a benchmark and an illustrative example. The spread of information after a local quench is studied in both the ballistic and the diffusive case. We also offer a derivation of TDVP directly from symplectic geometry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SODA Synthesizer: an Open-source, Multi-level, Modular, Extensible Compiler from High-level Frameworks to Silicon

The SODA Synthesizer is an open-source modular, end-to-end hardware compiler framework. The SODA frontend, developed in MLIR, performs system-level design, code partitioning, and high-level optimizations to prepare the specifications for the hardware synthesis. The backend is based on a state-of-the-art high-level synthesis tool, and generates the final hardware design. The backend can interface with logic synthesis tools for field programmable gate arrays or with commercial and open-source logic synthesis tools for application-specific integrated circuits. We discuss the opportunities and challenges in integrating with commercial and open-source tools both at the frontend and backend, and the unique opportunities that an open-source hardware design ecosystem provides.

Bohm Agostini, Nicolas↗