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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Performance Analysis and Optimal Node-aware Communication for Enlarged Conjugate Gradient Methods

Krylov methods are a key way of solving large sparse linear systems of equations but suffer from poor strong scalability on distributed memory machines. Furthermore, this is due to high synchronization costs from large numbers of collective communication calls alongside a low computational workload. Enlarged Krylov methods address this issue by decreasing the total iterations to convergence, an artifact of splitting the initial residual and resulting in operations on block vectors. In this article, we present a performance study of an enlarged Krylov method, Enlarged Conjugate Gradients (ECG), noting the impact of block vectors on parallel performance at scale. Most notably, we observe the increased overhead of point-to-point communication as a result of denser messages in the sparse matrix-block vector multiplication kernel. Additionally, we present models to analyze expected performance of ECG, as well as motivate design decisions. Most importantly, we introduce a new point-to-point communication approach based on node-aware communication techniques that increases efficiency of the method at scale.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Analysis of Lobe Power Calculator and Indication System with Physics and Cycle Based Models

The Advanced Test Reactor (ATR) at INL measures reactor power through various methods, two of them being thermal and Nitrogen-16 (N-16) activity. Water power calculator (WPC) is a thermal power system that measures flow and temperature to determine thermal quadrant powers. The N-16 system utilizes a beta detector that outputs Nitrogen activation levels to calculate lobe power through an algorithm called Lobe Power Calculation and Indication system (LPCIS). The LPCIS utilizes the N-16 system and the WPC system to determine reactor core power levels. The WPC provides accurate calculations of quadrant and total reactor thermal power. With the use of WPC measurements, thermal-to-N-16 (T2N) power ratios are produced to determine if the two indication systems agree on core power. Relative magnitude equations are used to utilize N-16 coefficients and multipliers to improve the indications of the LPCIS. These correct indications are crucial for maintaining safety limits because operators rely on this information for decision making. Currently, the LPCIS system uses linear equations and matrices to calculate lobe power through multipliers and coefficients. Advancements in technology and system upgrades have increased the accuracy of power readings by making the system more dynamic. The new proposed coefficient and multiplier method implements a cycle specific and physics-based model intended for changing coefficients during operation. This calibration experiment focused on power splitting, outer shim and neck shim, as well as fuel burning into the reactor digital acquisition system (RDAS) weighting factors. Results demonstrated that the physics learning method yields a smaller error margin inside of the desired power range for the data set 166-A. Continuing to improve the physics-based model will help improve the power accuracy of the LPCIS system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1995

Alternate Propulsion Subsystem Concepts Tripropellant Comparison Study

A study was conducted under MSFC contract NAS8-39210 to compare tripropellant and bipropellant engine configurations for the SSTO mission. The objective was to produce an 'apples-to-apples' comparison to isolate the effects of design implementation, designing company, year of design, or technologies included from the basic tripropellant/bipropellant comparison. Consequently, identical technologies were included (e.g., jet pumps) and the same design groundrules and practices were used. Engine power cycles were examined as were turbomachinery/preburner arrangements for each cycle. The bipropellant approach and two tripropellant approaches were separately optimized in terms of operating parameters: exit pressures, mixture ratios, thrust splits, etc. This briefing presents the results of the study including engine weights for both tripropellant and bipropellant engines; dry vehicle weight performance for a range of engine chamber pressures; discusses the basis for the results; examines vehicle performance due to engine cycles and the margin characteristics of various cycles; and identifies technologies with significant payoffs for this application.

Levack, Daniel↗

NASA NTRS2020

Neighbors on the Red Planet: Mars Science Laboratory Relay Coordination Post InSight Arrival

The Mars Science Laboratory (MSL) strategic communications planning toolset selects orbiter relay opportunities that the rover will use for transmitting data back to Earth. The toolset was extensively reworked in preparation for the Interior Exploration using Seismic Investigations, Geodesy and Heat Transport's (InSight) arrival at Mars in November 2018 and the regular use of Mars Atmosphere and Volatile Evolution (MAVEN) and Trace Gas Orbiter (TGO) orbiters as relay assets in addition to Mars Reconnaissance Orbiter (MRO) and 2001 Mars Odyssey (ODY). Overflight selection criteria was automated in the new toolset to take into account overflight deconfliction and down-selection as well as tactical timeline planning impacts and total data return. This was done while remaining flexible and configurable for changing mission priorities. As the Curiosity rover ages, the MSL planning team must overcome issues such as reduced budgets, memory bank anomalies, and reduced power availability. These are some examples of factors that affect the strategic communications planning toolset. In addition to adapting to evolving internal mission needs, the toolset must also be flexible to changes in the relay planning interface with other landers. The concept of shared relay or “split passes” was introduced when InSight began operating on Mars just 600 kilometers away and at the same longitude as MSL. This proximity meant that orbiters could now communicate with two landers during the same relay session. Over time, this new operational use-case became common practice as InSight and MSL settled into relay planning negotiations. Today, many TGO relay sessions are shared between MSL and InSight. As more orbiters pursue integrating this capability into nominal relay operations, and more landers arrive on Mars, the strategic communications process and toolsets increases in complexity. Development of a single tool that schedules relay sessions for all orbiters and landers simultaneously may become necessary as the number of Martian spacecraft increases. Examples of how toolset selection criteria and capabilities have helped or hindered MSL planning will be presented. Ongoing improvements to MSL toolsets and processes, as well as to shared relay tools such as Mars Relay Operations Service (MaROS) and General Telecom Predictor (GTP) are also discussed in this paper. Examples of how toolset selection criteria and capabilities have helped or hindered MSL planning will be presented. Ongoing improvements to MSL toolsets and processes, as well as to shared relay tools such as Mars Relay Operations Service (MaROS) and General Telecom Predictor (GTP) are also discussed in this paper.

Vandermey, Nancy↗

NASA NTRS1988

Mars Exploration: Mission and System Analysis of the Split Sprint Mission

The information presented in this report provides detailed mission and system analysis of the Split Sprint Mission to Mars. These data were generated from September 1987 through July 1988 and involved numerous individuals within Program Development. This mission derives its name from the fact that the total mission payload is split between two vehicles, a cargo vehicle, and a piloted vehicle. The cargo vehicle carries the Mars lander and propellant for the piloted vehicle return to Earth. Then approximately 1 1/2 years later, the piloted vehicle carries the crew on a higher energy "sprint” trajectory to Mars. The advantages of the Split Sprint Mission is that the payload for the piloted vehicle is minimized and the crew would be in space for only 14 months. Mission and system data are presented for a Sprint Mission in the year 2004. Many important aspects of the mission were studied in detail. These include orbital lighting and lifetime analysis, Mars parking orbit selection, Earth departure window analysis, lander descent and ascent performance, vehicle aerobraking requirements, mission orbital maneuvers, and many other analyses listed in the Table of Contents. Emphasis was placed on vehicle performance analysis which ranged from recovery of the Earth departure stages to aerocapture of the Earth Return Capsule. There is also a section describing the computer programs that were used for this study. These programs provide many useful tools for future studies of manned planetary missions. This introductory section will give an overall view of the Split Sprint Mission and describe the orbital operations and vehicles that were studied.

Mars Architecture Team↗

DOE OSTI2021

Analysis of Lobe Power Calculator and Indication System with Physics and Cycle Based Models

The Advanced Test Reactor (ATR) at INL measures reactor power through two methods, thermal and Nitrogen-16 (N-16) activity. Water power calculator (WPC) is a thermal power system that measures flow and temperature to determine the thermal quadrant powers. The N-16 system utilizes a beta chamber detector that outputs reactivity levels to calculate lobe power through an algorithm called lobe power calculation and indication system (LPCIS). The LPCIS utilizes the N-16 system and the WPC system to determine reactor core power levels. The WPC provides accurate calculations of quadrant and total reactor thermal power. With the use of WPC measurements, thermal-to-N-16 (T2N) power ratios are produced to determine if the two indication systems agree on core power. Relative magnitude equations are used to utilize N-16 coefficients and multipliers to improve the indications of the LPCIS. This is crucial for maintaining safety limits. Currently, the LPCIS system uses linear equations and matrices to calculate lobe power through multipliers and coefficients. Advancements in technology and system upgrades have assisted system engineers at INL with the objective to reach a more dynamic system. In return the system demonstrates an increase in the accuracy of power reading while maintaining safety margins. The new proposed coefficient and multiple method implements a cycle specific, and a physics-based model intended for changing coefficients during operation. This calibration experiment focuses on power splitting, outer shim and neck shim, as well as fuel burning into the RDAS weighting factors. Results show that the Physics learning method yields a smaller error margin inside of the desired power range for the data set 166-A. This proved true for both constrained and unconstrained testing. This is most likely due to the physics data fitting approach that resulted in favorable coefficients and multipliers for 166-A. Continuing to improve the physics-based model will help improve the power accuracy of the LPCIS system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1992

Wind tunnel performance results of swirl recovery vanes as tested with an advanced high speed propeller

Tests of swirl recovery vanes designed for use in conjunction with advanced high speed propellers were carried out at the NASA Lewis Research Center. The eight bladed 62.23 cm vanes were tested with a 62.23 cm SR = 7A high speed propeller in the NASA Lewis 2.44 x 1.83 m Supersonic Wind Tunnel for a Mach number range of 0.60 to 0.80. At the design operating condition for cruise of Mach 0.80 at an advance ratio of 3.26, the vane contribution to the total efficiency approached 2 percent. At lower off-design Mach numbers, the vane efficiency is even higher, approaching 4.5 percent for the Mach 0.60 condition. Use of the swirl recovery vanes essentially shifts the peak of the high speed propeller efficiency to a higher operating speed. This allows a greater degree of freedom in the selection of rpm over a wider operating range. Another unique result of the swirl recovery vane configuration is their essentially constant torque split between the propeller and the swirl vanes over a wide range of operating conditions for the design vane angle.

Gazzaniga, John A.↗

DOE OSTI2024

Stabilization of Catalytically Active Surface Defects on Ga-doped La–Sr–Mn Perovskites for Improved Solar Thermochemical Generation of Hydrogen

Solar thermochemical hydrogen (STCH) production from water splitting typically requires performing redox cycles at temperatures above 1200 °C to reduce and re-oxidize the bulk of a reversible material. Bulk processes such as oxygen vacancy formation and oxygen diffusion energies dictate the viability of a material for STCH. The surface plays an important role in the formation and destruction of vacancies and interacts with gas phase water and surface adsorbed species. These surface processes can lead to surface reconfigurations and even the formation of surface phases with stoichiometry and oxygen content very different from the bulk composition. Understanding in-situ the surface chemical state and its evolution under water splitting is important to design nonstoichiometric oxides capable of longer-lasting STCH generation at lower temperatures. In this work, we describe the water splitting active defect sites in LSM ((La 0.65 Sr 0.35 ) 0.95 MnO 3–δ ) and Ga-doped LSM ((La 0.6 Sr 0.4 ) 0.95 (Mn 0.8 Ga 0.2 )O 3–δ ) perovskites during Operando thermochemical water splitting conditions using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) experiments at 800 °C under steam. We show that sub-stoichiometric La +3 in the oxygen-vacancy rich surface at operating conditions can be used to correlate surface water splitting activity and the creation of surface hydroxide intermediates. The addition of Ga in LSM is shown to drastically stabilize the surface chemical composition by preventing Sr segregation and stabilizing catalytically active surface defects that promote the binding of adsorbed hydroxides. Here, we use Operando AP-XPS quantification of metastable surface hydroxide intermediates (La(OH) 3 ) to determine the amount of catalytically active surface sites in LSM (2.9%) and in LSMG (7.8–8.1%, depending on the bulk oxidation state).

08 HYDROGEN↗

NASA NTRS2013

Data Mining for Anomaly Detection

The Vehicle Integrated Prognostics Reasoner (VIPR) program describes methods for enhanced diagnostics as well as a prognostic extension to current state of art Aircraft Diagnostic and Maintenance System (ADMS). VIPR introduced a new anomaly detection function for discovering previously undetected and undocumented situations, where there are clear deviations from nominal behavior. Once a baseline (nominal model of operations) is established, the detection and analysis is split between on-aircraft outlier generation and off-aircraft expert analysis to characterize and classify events that may not have been anticipated by individual system providers. Offline expert analysis is supported by data curation and data mining algorithms that can be applied in the contexts of supervised learning methods and unsupervised learning. In this report, we discuss efficient methods to implement the Kolmogorov complexity measure using compression algorithms, and run a systematic empirical analysis to determine the best compression measure. Our experiments established that the combination of the DZIP compression algorithm and CiDM distance measure provides the best results for capturing relevant properties of time series data encountered in aircraft operations. This combination was used as the basis for developing an unsupervised learning algorithm to define "nominal" flight segments using historical flight segments.

Biswas, Gautam↗

DOE OSTI2020

First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers

A unified approach for computing (i) spin-transfer torque in magnetic trilayers like spin valve and magnetic tunnel junction, where injected charge current flows perpendicularly to interfaces, and (ii) spin-orbit torque in magnetic bilayers of the type ferromagnet/spin-orbit-coupled material, where injected charge current flows parallel to the interface, was reviewed. The experimentally explored and technologically relevant spin-orbit-coupled materials include 5d heavy metals, topological insulators, Weyl semimetals, and transition metal dichalcogenides. This approach requires to construct the torque operator for a given Hamiltonian of the device and the steady-state nonequilibrium density matrix, where the latter is expressed in terms of the nonequilibrium Green’s functions and split into three contributions. Tracing these contributions with the torque operator automatically yields field-like and damping-like components of spin-transfer torque or spin-orbit torque vector, which is particularly advantageous for spin-orbit torque where the direction of these components depends on the unknown-in-advance orientation of the current-driven nonequilibrium spin density in the presence of spin-orbit coupling. Illustrative examples are provided by computing spin-transfer torque in a one-dimensional toy model of a magnetic tunnel junction and realistic Co/Cu/Co spin valve, both of which are described by first-principles Hamiltonians obtained from noncollinear density functional theory calculations, as well as by computing spin-orbit torque in a ferromagnetic layer described by a tight-binding Hamiltonian which includes spin-orbit proximity effect within ferromagnetic monolayers assumed to be generated by the adjacent monolayer transition metal dichalcogenide. In addition, it is shown here how spin-orbit proximity effect, quantified by computing (via first-principles retarded Green’s function) spectral functions and spin textures on monolayers of realistic ferromagnetic material like Co in contact with heavy metal or monolayer transition metal dichalcogenide, can be tailored to enhance the magnitude of spin-orbit torque. Furthermore, errors made in the calculation of spin-transfer torque are quantified when using Hamiltonian from collinear density functional theory, with rigidly rotated magnetic moments to create noncollinear magnetization configurations, instead of proper (but computationally more expensive) self-consistent Hamiltonian obtained from noncollinear density functional theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Towards chemical equilibrium in thermochemical water splitting. Part 1: Thermal reduction

The efficiency of many processes strongly depends on their thermodynamic reversibility, i.e., proximity to equilibrium throughout the process. In thermochemical cycles for water and/or carbon dioxide splitting, thermochemical air separation, and thermochemical energy storage, operating near equilibrium means that the oxygen chemical potential of the solid and gas phases must not differ significantly. Herein we show that approaching this ideal is possible in thermal reduction only if the reaction step occurs at a specific, reaction coordinate- and material-dependent temperature. The resulting thermal reduction temperature profile also depends on the ratio of gas and solid flows.

08 HYDROGEN↗

NASA NTRS1974

Evaluation of a series hybird thrust bearing at DN values to three million. 1: Analysis and design

The analysis and design are presented of a hybrid bearing consisting of a 150-mm ball bearing and a centrifugally actuated, conical, fluid film bearing fitting an envelope with an outer radius of 86.4 mm (3.4 in.) and an inner radius of 71 mm (2.8 in.). The bearing analysis, combined with available torque data on ball bearings, indicates that an effective speed split between the ball and fluid-film bearings of 50 percent may be expected during operation at 20,000 rpm and under an axial load of 17,800 newtons (4000 lbs.). This speed split can result in a ten-fold increase in the life of the ball bearing when compared to a simple ball bearing system operating under similar conditions.

Gu, A.↗

DOE OSTI2020

Effects of bubbles on the electrochemical behavior of hydrogen-evolving Si microwire arrays oriented against gravity

The size-distribution, coverage, electrochemical impedance, and mass-transport properties of H 2 gas-bubble films were measured for both planar and microwire-array platinized n + -Si cathodes performing the hydrogen-evolution reaction in 0.50 M H 2 SO 4 (aq). Inverted, planar n + -Si/Ti/Pt cathodes produced large, stationary bubbles which contributed to substantial increases in ohmic potential drops. In contrast, regardless of orientation, microwire array n + -Si/Ti/Pt cathodes exhibited a smaller layer of bubbles on the surface, and the formation of bubbles did not substantially increase the steady-state overpotential for H 2 (g) production. Experiments using an electroactive tracer species indicated that even when oriented against gravity, bubbles enhanced mass transport at the electrode surface. Microconvection due to growing and coalescing bubbles dominated effects due to macroconvection of gliding bubbles on Si microwire array cathodes. Electrodes that maintained a large number of small bubbles on the surface simultaneously exhibited low concentrations of dissolved hydrogen and small ohmic potential drops, thus exhibiting the lowest steady-state overpotentials. The results indicate that microstructured electrodes can operate acceptably for unassisted solar-driven water splitting in the absence of external convection and can function regardless of the orientation of the electrode with respect to the gravitational force vector.

25 ENERGY STORAGE↗

DOE OSTI2023

The anisotropic nature of singlet fission in single crystalline organic semiconductors

The escalating global energy predicament implores for a revolutionary resolution—one that converts sunlight into electricity—holding the key to supreme conversion efficiency. This comprehensive review embarks on the exploration of the principle of generating multiple excitons per absorbed photon, a captivating concept that possesses the potential to redefine the fundamental confines of conversion efficiency, albeit its application remains limited in photovoltaic devices. At the nucleus of this phenomenon are two principal processes: multiple exciton generation (MEG) within quantum-confined environments, and singlet fission (SF) inside molecular crystals. The process of SF, characterized by the cleavage of a single photogenerated singlet exciton into two triplet excitons, holds promise to potentially amplify photon-to-electron conversion efficiency twofold, thereby laying the groundwork to challenge the detailed balance limit of solar cell efficiency. Our discourse primarily dissects the complex nature of SF in crystalline organic semiconductors, laying special emphasis on the anisotropic behavior of SF and the diffusion of the subsequent triplet excitons in single-crystalline polyacene organic semiconductors. We initiate this journey of discovery by elucidating the principles of MEG and SF, tracing their historical genesis, and scrutinizing the anisotropy of SF and the impact of quantum decoherence within the purview of functional mode electron transfer theory. We present an overview of prominent techniques deployed in investigating anisotropic SF in organic semiconductors, including femtosecond transient absorption microscopy and imaging as well as stimulated Raman scattering microscopies, and highlight recent breakthroughs linked with the anisotropic dimensions of Davydov splitting, Herzberg–Teller effects, SF, and triplet transport operations in single-crystalline polyacenes. Through this comprehensive analysis, our objective is to interweave the fundamental principles of anisotropic SF and triplet transport with the current frontiers of scientific discovery, providing inspiration and facilitating future ventures to harness the anisotropic attributes of organic semiconductor crystals in the design of pioneering photovoltaic and photonic devices.

Chemistry↗

DOE OSTI2022

Event driven readout architecture with non-priority arbitration for radiation detectors

A novel event driven readout architecture, EDWARD (Event Driven with Access and 8 Reset Decoder) architecture, for highly granular pixel detectors is presented. It incorporates, inter alia, an asynchronous arbitration tree based on Seitz' arbiters, removing the need for an imposed prioritization scheme. It also provides protection against glitches during readout. The system allows not only reading pixel activities, but also retrieving additional data, both analog and digital, from the pixels. A novel in-channel logic allows the entire readout process to be split into consecutive phases for additional flexibility. All operations are controlled by only one edge of the clock signal, seen as an acknowledge token, so there is no dead time between readouts.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

REDOTHERM (Redox Countercurrent Thermodynamic Limits Model) [SWR-24-88]

REDOTHERM is an open-source, MATLAB-based thermodynamic modeling framework developed to evaluate the performance of redox-active materials for water (H2O) and carbon dioxide (CO2) splitting. It includes models of all major unit operations and supports comparative analysis of different redox-active material candidates. The model is tailored for systems of moving oxide under a parallel/cocurrent flow (PF) and countercurrent flow (CF) configurations. Unvalidated mixed flow reactor (MFR, also known as CSTR) model is also included as an optional addition.

Lidor, Alon [National Renewable Energy Laboratory ↗

DOE OSTI2024

Gain Stability of Hamamatsu R5912-MOD Photo-Multipliers at Low Temperature

The Photon Detection System is a crucial component of the ICARUS detector in the Short Baseline Neutrino (SBN) Program at Fermi National Accelerator Laboratory (FNAL). It consists of 360 Photo Multiplier Tubes (PMTs) 8” Hamamatsu R5912-MOD and, since June 2020, it has been operated at the liquid Argon cryogenic temperature. During these years, the PMTs have shown gain losses as an aging effect. Using a climatic chamber at the INFN Sezione di Catania, we confirmed a stable gain for a single PMT 8” Hamamatsu 5912-MOD when operated at room temperature, and a persistent gain loss at temperatures around -70°C, although far from the liquid Argon one. No gain recovery was obtained bringing the PMT back to room temperature. We suspect that dynode deterioration due to temperature gradient plays a significant role in this phenomenon. During our test, the PMT was illuminated by a 520 nm laser source and operated in current mode. The laser beam was split into two optical fibers, the first one transmitting light through Neutral Density filters and then diffusing it over the surface of the PMT photocathode. The other optical fiber was used for an independent reference measurement of the injected light via a bolometric photodetector. In this presentation, the main technical characteristics of the measurement system are shown together with preliminary results which need further investigation to elucidate the underlying mechanisms driving the gain loss and to propose new mitigation strategies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1977

Linear aerospike engine study

Parametric data on split-combustor linear engine propulsion systems are presented for use in mixed-mode single-stage-to-orbit (SSTO) vehicle studies. Preliminary design data for two selected engine systems are included. The split combustor was investigated for mixed-mode operations with oxygen/hydrogen propellants used in the inner combustor in Mode 2, and in conjunction with either oxygen/RP-1, oxygen/RJ-5, O2/CH4, or O2/H2 propellants in the outer combustor for Mode 1. Both gas generator and staged combustion power cycles were analyzed for providing power to the turbopumps of the inner and outer combustors. Numerous cooling circuits and cooling fluids (propellants) were analyzed and hydrogen was selected as the preferred coolant for both combustors and the linear aerospike nozzle. The maximum operating chamber pressure was determined to be limited by the availability of hydrogen coolant pressure drop in the coolant circuit.

Diem, H. G.↗