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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗
DOE OSTI2022

Chapter 2: Evaluating a Concentrating Solar Power Plantas an Extended-Duration Peaking Resource

We explore the ability of a concentrating solar power (CSP) plant with thermal energy storage (TES) to provide peaking capacity. We focus on future power systems, wherein net load patterns may be significantly different than they are today (e.g., due to higher renewable-energy penetrations). We examine 28 locations in the southwestern United States over an 18-year period. The hourly operation of the CSP plants are simulated to determine their potential to provide energy during an eight-hour peak-load window for each day up to 365 days per year. Our result shows that for the large majority of locations and years, CSP plants with certain configurations (i.e., in terms of solar field and TES sizes) can provide nearly 100% peak-load capacity. We examine also the amount of supplemental energy (e.g.,by using natural gas as a supplemental thermal-energy source) that would be required to ensure that a CSP plant could serve the eight highest-load hours of every day of the year. We find that in most cases, a CSP plant supplemented with natural gas would require less than 5% of the fuel that is used by a natural-gas fired power plant providing the same level of reliable capacity. A series of sensitivity analyses show that these results are robust to the number of peak-load hours and days that are considered and the configuration of the CSP plant.

capacity value↗
DOE OSTI2021

RG217 V2-V2 Coaxial Cable Soldering Procedure

The ECSE Solid State Pulsed Power unit is a high-current, high power solid-state pulse modulator. The RG217 V2-V2 Coaxial Cable Assembly is the interface cable between the Solid State Pulser and the load. This document covers the soldering procedure for the RG217 V2-V2 Coaxial Cable Assembly. This assembly is comprised of RG217 Coaxial Cable with a LRU Connector on either end. This soldering procedure describes the process used to solder cable tips properly onto the cable center conductor.

42 ENGINEERING↗
DOE OSTI2021

RG217 V2-V2 Coaxial Cable Assembly Procedure

The ECSE Solid State Pulsed Power unit is a high-current, high power solid-state pulse modulator. The RG217 V2-V2 Coaxial Cable Assembly is the interface cable between the Solid State Pulser and the load. This document covers the assembly procedure for the RG217 V2-V2 Coaxial Cable Assembly. This assembly is comprised of RG217 Coaxial Cable with a LRU Connector on either end. This assembly procedure describes the process used to install cable connectors properly onto the cable.

42 ENGINEERING↗
NASA NTRS1979

NASF transposition network: A computing network for unscrambling p-ordered vectors

The viewpoints of design, programming, and application of the transportation network (TN) is presented. The TN is a programmable combinational logic network that connects 521 memory modules to 512 processors. The unscrambling of p-ordered vectors to 1-ordered vectors in one cycle is described. The TN design is based upon the concept of cyclic groups from abstract algebra and primitive roots and indices from number theory. The programming of the TN is very simple, requiring only 20 bits: 10 bits for offset control and 10 bits for barrel switch shift control. This simple control is executed by the control unit (CU), not the processors. Any memory access by a processor must be coordinated with the CU and wait for all other processors to come to a synchronization point. These wait and synchronization events can be a degradation in performance to a computation. The TN application is for multidimensional data manipulation, matrix processing, and data sorting, and can also perform a perfect shuffle. Unlike other more complicated and powerful permutation networks, the TN cannot, if possible at all, unscramble non-p-ordered vectors in one cycle.

Lim, R. S.↗
NASA NTRS2010

Potentially Habitable Ancient Environments in Gusev Crater, Mars

Habitable environments must sustain liquid water at least intermittently and also provide both chemical building blocks and useful sources of energy for life. Observations by Spirit rover indicate that conditions have probably been too dry to sustain life, at least since the emplacement of the extensive basalts that underlie the plains around the Columbia Memorial Station landing site. Local evidence of relatively minor aqueous alteration [1] probably occurred under conditions where the activity of water was too low to sustain biological processes as we know them. In contrast, multiple bedrock units in West Spur and Husband Hill in the Columbia Hills have been extensively altered. Patterns of elemental abundances are consistent with aqueous processes involving migrating fluids [2]. Fe in several of these units has been extensively oxidized [3]. Conceivably any microbiota present during the aqueous alteration of these rocks might have obtained energy from Fe oxidation. Spirit discovered olivine-rich ultramafic rocks during her descent from Husband Hill southward into Inner Basin. Alteration of similar ultramafic rocks on Earth can yield H2 that can provide both energy and reducing power for microorganisms. Spirit's discovery of deposits rich in ferric sulfate is consistent with the aqueous dissolution and/or alteration of olivine under acidic conditions [2] such as those associated with hydrothermal activity. The oxidation of iron and sulfur that can accompany such activity can be an energy source for life. Hydrothermal systems on Earth that sustain either acidic [4] or neutral to alkaline fluids [5] have been shown to provide this energy. Collectively the observations by Spirit rover are consistent with the possibility that habitable environments existed in Gusev crater at least intermittently in the distant geologic past.

Fe oxidation↗
DOE OSTI2020

Leveraging Environmental Monitoring Results from Department of Energy Sites for Research on the Food-Energy-Water Nexus

The Annual Site Environmental Report (ASER) from a U.S. Department of Energy (DOE) Site summarizes environmental data; environmental management performance; compliance with applicable DOE, federal, state, and local regulations; and restoration and surveillance monitoring programs. The Savannah River Site (SRS) produces ASERs that include results of monitoring mercury levels in fish samples obtained in the vicinity of SRS. Mercury is a toxic trace metal and the methylated organic form is a neurotoxin that bioaccumulates in the food web, endangering humans and other organisms. In United States, power plants are the largest source of mercury emissions. Research Objective: To determine the patterns of mercury levels in fish samples reported in the SRS environmental monitoring reports. We developed box plot visualizations to make sense of the data as well as identify fish species, dates and location with outlier mercury content. The integration and visual representation of multi-year datasets can support decision making processes on environmental compliance and environmental sustainability conducted at U.S. DOE Sites. We are constructing datasets from textual, image and multivariable data sources in the multi-year ASERs of the U.S. DOE Savannah River Site (SRS https://www.srs.gov/general/pubs/ERsum/index.html). The Fish Surveillance for mercury presents a case study for the intersection of food, energy and water systems. The dataset of 864 records (2008 and 2009) of mercury levels includes water location of fish, fish species, collection date and mercury content of fish sample. The patterns of mercury levels in the fish species as well as locations provide knowledge for further investigations. A research area for future studies is the composition of microbial communities in fish guts of varying levels of mercury.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Improving Transparency in Electric Distribution System Planning to Support Affordability [Slides]

This resource identifies opportunities for communities to participate in the distribution system planning process to achieve their energy goals, including affordability. It begins with background information on the distribution system and distribution system planning, and then focuses on topical areas where communities could focus their engagement (e.g., non-wires alternatives, DER forecast, scenario analysis). The report concludes with illustrative examples of how communities have engaged in distribution system planning. The appendix provides procedural guidance on engagement in utility planning processes.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

A real-time multiphysics model of a pressurized solid oxide electrolysis cell (SOEC) for cyber-physical simulation

Solid oxide electrolysis cells (SOEC) can play important roles in integrated energy systems (IES) as the hydrogen production hub and the resilience energy hub. When tied to a microgrid with high renewable penetration, the SOEC is subjected to rapid load transitions in response to the intermittent renewable generations that occur not only in diurnal cycles but also in short timeframes (e.g., sub-minute). The cyber-physical simulation approach can derisk operability research but requires a real-time dynamic SOEC model. In the present work, a real-time multiphysics model for pressurized SOEC is developed and validated in the pressure range from 1.4 to 8bar. Further, the accuracy of the single repeating unit (SRU) assumption in SOEC stack simulation is quantified. A guidance of more than 45 cells in one SOEC stack is recommended to safely apply the SRU assumption. Modeling results suggest that at a given current density, more power is consumed by SOEC at elevated operating pressures. The anode air and cathode stream have major impacts on thermal management, highlighting the potential benefit of integrating SOEC with other thermal processes in IES. To achieve high hydrogen production efficiency, the SOEC could operate at the maximum endothermic point to maximize the use of thermal energy. The real-time execution of the developed SOEC model is also demonstrated, which only takes 0.1% of the fixed time step of 5ms. The developed model establishes the basis for cyber-physical simulation of SOEC hybrid systems.

25 ENERGY STORAGE↗
DOE OSTI2026

Valorization of waste polyolefins to butene, unsaturated fatty alcohols, and branched alkenes using CO 2 and plasma catalyst

Butene, branched alkenes, and short-chain unsaturated fatty alcohols are among the chemicals that have a wide range of industrial applications in the production of fuels, chemicals, and polymers. In this work, we produced these valuable commodity chemicals from waste plastics using a single-step plasma-catalytic process at atmospheric pressure CO 2 . The study shows that combining non-thermal plasma and zeolite could convert polyolefins at a temperature of 200 °C within 15 minutes, producing liquids rich in C 5 and C 6 branched alkenes and C 6 -C 8 unsaturated fatty alcohols. Additionally, gaseous products include a high yield of butene. Comparative studies indicate that combining CO 2 plasma with zeolite synergistically increases reaction rates and alters product compositions. Product selectivity was strongly dependent on reaction conditions, including plasma power, gas flow rates, reactor temperature, and catalyst loading. Furthermore, this process was applicable to common polyolefins and post-consumer polyethylene, indicating that the plasma catalytic approach has promising potential to valorize waste plastics and greenhouse gas CO 2 into versatile chemicals.

42 ENGINEERING↗
DOE OSTI2021

Life Cycle Assessment and Techno-Economic Assessment of Lithium Recovery from Geothermal Brine

Lithium-ion batteries (LIB) play an essential role in the electrification of the transportation sector, and battery demand for lithium compounds will see a significant increase in the coming decades. This has raised concerns on the supply of lithium, and as a result, technologies are being developed to process unconventional lithium sources. One promising technology is to extract lithium from geothermal brine using lithium-aluminum-layered double hydroxide chloride (LDH) sorbent and forward osmosis. A combined life cycle assessment (LCA) and techno-economic assessment (TEA) is conducted to evaluate the environmental and economic performance of this technology. It is assumed that the lithium extraction unit is an add-on to a 50 MW geothermal power plant located in California. The analysis is based on lab-scale experimental data and stoichiometry while considering the economy of scale for an industrial system. LCA results suggest that, compared with conventional LiOH and Li 2 CO 3 production pathways, the new technology achieves 1–95% reduction in environmental impacts. Even higher reduction can be achieved for LiOH produced via electrolysis. This add-on unit for lithium extraction could achieve a payback period of less than 1 year and reach net present values of $454M and $315M and internal rates of return of 792 and 1130% for LiOH and Li 2 CO 3 production pathways, respectively. The favorable environmental and economic performance suggests that LDH sorption coupled with forward osmosis has great potential to enable the domestic production of battery lithium compounds and that further development should be carried out.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

United States–Brazil Joint Study: A Preliminary Assessment of Opportunities and Challenges for Small Modular Reactors in Brazil

This report supplies the technical information to enable a broader understanding of different technology choices for nuclear reactors in Brazil. The assessment characteristics of this process include reactor technology, economic costs for deployment, and regulatory analyses of small modular reactors, advanced reactors, and microreactors. The analysis documented in this report provides economic and technological information to assist Brazil, whose official indicative scenarios show an increase in operating nuclear power from 2 Gigawatt in 2022 to 8–10 Gigawatt by 2050, in policy making and long-term energy planning. To protect company proprietary information, the information in this report was limited to publicly available information and therefore can only inform preliminary reactor technology assessments. This report does not recommend or endorse any specific reactor developer or technology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Process Design and Techno-Economic Analysis of the Modular Staged Pressurized Oxy-Combustion (SPOC) Power Plant for Biomass

This work describes the process design and techno-economic analysis (TEA) of the modular stage pressurized oxy-combustion (SPOC) power plant for biomass firing and coal-biomass co-firing. The SPOC process was modelled using Aspen Plus®, and largely based on a previous model designed by this group for SPOC coal firing. To enable comparison with current National Energy Technology Laboratory (NETL) Bio-Energy Carbon Capture and Storage (BECCS) studies, a 550 MWe SPOC power plant with a supercritical Rankine cycle (241 bar, 593°C, and 593°C), and 90% carbon capture was modeled, and hybrid poplar biomass was chosen. Two cases were evaluated, namely 100% biomass (carbon negative) and 25% biomass co-firing (carbon neutral), and the 100% Powder River Basin coal firing case was chosen for comparison purposes. In the SPOC process, oxygen is produced via a cryogenic air separation unit (ASU) and the heat generated from the compression of air is integrated into the steam cycle and utilized for boiler feed water regeneration. Unique to the SPOC process, the boilers are arranged in a series-parallel configuration, with minimized flue gas recirculation. The flue gas is cooled and scrubbed in the direct-contact cooler (DCC) column, and the water leaving the bottom of the DCC is at a sufficiently high temperature that it can be used for boiler feed water heating, improving plant thermal efficiency. The SPOC efficiencies were above the BECCS cases with capture, and no efficiency penalty on the SPOC plant was observed with an increase of biomass in the mix mostly due to the higher oxygen content in biomass that resulted in lower oxygen requirement from the ASU, and the higher moisture in biomass that due to the key benefit of the SPOC process can be partially recovered as latent heat.

Magalhaes, Duarte↗
NASA NTRS1993

Integrated oxygen recovery system

Life Systems has conceptualized an innovative Integrated Oxygen Recovery System (IORS) applicable to advanced mission air revitalization. The IORS provides the capability to electrochemically generate metabolic oxygen (O2) and recover O2 from the space habitat atmosphere via a carbon dioxide (CO2) reduction process within a single assembly. To achieve this capability, the IORS utilizes a Solid Metal Cathode (SMC) water electrolysis unit that simultaneously serves as the Sabatier CO2 reduction reactor. The IORS enables two major life support systems currently baselined in closed loop air revitalization systems to be combined into one smaller, less complex system. This concept reduces fluidic and electrical interface requirements and eliminates a hydrogen (H2) interface. Life Systems is performing an evaluation of the IORS process directed at demonstrating performance and quantifying key physical characteristics including power, weight, and volume. Technical progress achieved during the first two months of the program is summarized.

Lee, M. Gene↗
NASA NTRS1993

Integrated oxygen recovery system

Life Systems has conceptualized an innovative Integrated Oxygen Recovery System (IORS) applicable to advanced mission air revitalization. The IORS provides the capability to electrochemically generate metabolic oxygen (O2) and recover O2 from the space habitat atmosphere via a carbon dioxide (CO2) reduction process within a single assembly. To achieve this capability, the IORS utilizes a Solid Metal Cathode (SMC) water electrolysis unit that simultaneously serves as the Sabatier CO2 reduction reactor. The IORS enables two major life support systems currently baselined in closed loop air revitalization systems to be combined into one smaller, less complex system. This concept reduces fluidic and electrical interface requirements and eliminates a hydrogen (H2) interface. Life Systems is performing an evaluation of the IORS process directed at demonstrating performance and quantifying key physical characteristics including power, weight, and volume. The results of the checkout, shakedown, and initial parametric tests are summarized.

Lee, M. Gene↗
NASA NTRS2005

Development of a Low-Power CO2 Removal and Compression System for Closed-Loop Air Revitalization in Future Spacecraft

The current CO2 removal technology of NASA is very energy intensive and contains many non-optimized subsystems. This paper discusses the design and prototype development of a two-stage CO2 removal and compression system that will utilize much less power than NASA s current CO2 removal technology. This integrated system contains a Nafion membrane followed by a residual water adsorber that performs the function of the desiccant beds in the four-bed molecular sieve (4BMS) system of the International Space Station (ISS). The membrane and the water adsorber are followed by a two-stage CO2 removal and compression subsystem that satisfies the operations of the CO2 adsorbent beds of the 4BMS aid the interface compressor for the Sabatier reactor connection. The two-stage compressor will utilize the principles of temperature-swing adsorption (TSA) compression technology for CO2 removal and compression. The similarities in operation and cycle times of the CO2 removal (first stage) and compression (second stage) operations will allow thermal coupling of the processes to maximize the efficiency of the system. In addition to the low-power advantage, this processor will maintain a lower CO2 concentration in the cabin than that can be achieved by the existing CO2 removal systems. The compact, consolidated, configuration of membrane gas dryer and CO2 separator and compressor will allow continuous recycling of humid air in the cabin and supply of compressed CO2 to the reduction unit for oxygen recovery. The device has potential application to the International Space Station and future, long duration, transit, and planetary missions.

Mulloth, Lila M.↗
NASA NTRS2010

Measurements and Computations of Second-Mode Instability Waves in Three Hypersonic Wind Tunnels

High-frequency pressure-fluctuation measurements were made in AEDC Tunnel 9 at Mach 10 and the NASA Langley 15-Inch Mach 6 and 31-Inch Mach 10 tunnels. Measurements were made on a 7deg-half-angle cone model. Pitot measurements of freestream pressure fluctuations were also made in Tunnel 9 and the Langley Mach-6 tunnel. For the first time, second-mode waves were measured in all of these tunnels, using 1-MHz-response pressure sensors. In Tunnel 9, second-mode waves could be seen in power spectra computed from records as short as 80 micro-s. The second-mode wave amplitudes were observed to saturate and then begin to decrease in the Langley tunnels, indicating wave breakdown. Breakdown was estimated to occur near N approx. equals 5 in the Langley Mach-10 tunnel. The unit-Reynolds-number variations in the data from Tunnel 9 were too large to see the same processes. In Tunnel 9, the measured transition locations were found to be at N = 4.5 using thermocouples, and N = 5.3 using 50-kHz-response pressure sensors. What appears to be a very long transitional region was observed at a unit Reynolds number of 13.5 million per meter in Tunnel 9. These results were consistent with the high-frequency pressure fluctuation measurements. High-frequency pressure fluctuation measurements indicated that transition did occur in the Langley Mach-6 tunnel, but the location of transition was not precisely determined. Unit Reynolds numbers in the Langley Mach-10 tunnel were too low to observe transition. More analysis of this data set is expected in the future.

Berridge, Dennis C.↗