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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Evaluating Impacts of CO2 and CH4 Gas Intrusion into an Unconsolidated Aquifer: Fate of As and Cd

Abstract The sequestration of carbon dioxide (CO2) in deep underground reservoirs has been identified as an important strategy to decrease atmospheric CO2 levels and mitigate global warming, but potential risks on overlying aquifers currently lack a complete evaluation. In addition to CO2, other gases such as methane (CH4) may be present in storage reservoirs. This paper explores for the first time the combined effect of leaking CO2 and CH4 gasses on the fate of major, minor and trace elements in an aquifer overlying a potential sequestration site. Emphasis is placed on the fate of arsenic (As) and cadmium (Cd) released from the sediments or present as soluble constituents in the leaking brine. Results from macroscopic batch and column experiments show that the presence of CH4 (at a concentration of 1 % in the mixture CO2/CH4) does not have a significant effect on solution pH or the concentrations of most major elements (such as Ca, Ba, and Mg). However, the concentrations of Mn, Mo, Si and Na are inconsistently affected by the presence of CH4 (i.e., in at least one sediment tested in this study). Cd is not released from the sediments and spiked Cd is mostly removed from the aqueous phase most likely via adsorption. The fate of sediment associated As [mainly sorbed arsenite or As(III) in minerals] and spiked As [i.e., As5+] is complex. Possible mechanisms that control the As behavior in this system are discussed in this paper. Results are significant for CO2 sequestration risk evaluation and site selection and demonstrate the importance of evaluating reservoir brine and gas stream composition during site selection to ensure the safest site is being chosen.

CO2 sequestration↗
DOE OSTI2018

Efficiency and Emissions Characteristics of an HCCI Engine Fueled by Primary Reference Fuels

Here, this article investigates the effects of various primary reference fuel (PRF) blends, compression ratios, and intake temperatures on the thermodynamics and performance of homogeneous charge compression ignition (HCCI) combustion in a Cooperative Fuels Research (CFR) engine. Combustion phasing was kept constant at a CA50 phasing of 5° after top dead center (aTDC) and the equivalence ratio was kept constant at 0.3. Meanwhile, the compression ratio varied from 8:1 to 15:1 as the PRF blends ranged from pure n-heptane to nearly pure isooctane. The intake temperature was used to match CA50 phasing. In addition to the experimental results, a GT-Power model was constructed to simulate the experimental engine and the model was validated against the experimental data. The GT-Power model and simulation results were used to help analyze the energy flows and thermodynamic conditions tested in the experiment. The results indicate that an increase of compression ratio causes higher thermal efficiency and fuel conversion efficiency; however, at the same compression ratio, an increase in PRF number results in lower efficiency due to the required increase in intake temperature and the associated decrease in charge density. While the efficiency does increase with compression ratio, the results show that the effect of increased expansion work is partially offset by higher heat transfer losses and lower ratios of specific heats at higher compression ratios. The results indicate that the maximum pressure rise rate (MPRR) in HCCI significantly increases with compression ratio. Combustion efficiency shows a strong trend with peak temperature regardless of the PRF number or compression ratio, indicating that the CO-to-CO2 conversion is independent of the parent fuel chemistry in the case of the PRFs, whereas the unburned hydrocarbon emissions showed the opposite trend, depending mostly on the parent fuel’s autoignition tendency.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

The DESI N -body simulation project – I. Testing the robustness of simulations for the DESI dark time survey

ABSTRACT Analysis of large galaxy surveys requires confidence in the robustness of numerical simulation methods. The simulations are used to construct mock galaxy catalogues to validate data analysis pipelines and identify potential systematics. We compare three N-body simulation codes, abacus, gadget-2, and swift, to investigate the regimes in which their results agree. We run N-body simulations at three different mass resolutions, 6.25 × 108, 2.11 × 109, and 5.00 × 109 h−1 M⊙, matching phases to reduce the noise within the comparisons. We find systematic errors in the halo clustering between different codes are smaller than the Dark Energy Spectroscopic Instrument (DESI) statistical error for $s\ \gt\ 20\ h^{-1}$ Mpc in the correlation function in redshift space. Through the resolution comparison we find that simulations run with a mass resolution of 2.1 × 109 h−1 M⊙ are sufficiently converged for systematic effects in the halo clustering to be smaller than the DESI statistical error at scales larger than $20\ h^{-1}$ Mpc. These findings show that the simulations are robust for extracting cosmological information from large scales which is the key goal of the DESI survey. Comparing matter power spectra, we find the codes agree to within 1 per cent for k ≤ 10 h Mpc−1. We also run a comparison of three initial condition generation codes and find good agreement. In addition, we include a quasi-N-body code, FastPM, since we plan use it for certain DESI analyses. The impact of the halo definition and galaxy–halo relation will be presented in a follow-up study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Small-scale pilot plant for gasification of coal and coal/biomass blends and conversion of derived syngas to liquid fuels via Fischer-Tropsch synthesis

This report describes the second phase of a project to design, construct and commission an integrated coal/biomass-to-liquids facility at a capacity of 1 bbl. /day at the University of Kentucky Center for Applied Energy Research (UK-CAER) – specifically for construction, commissioning and operating of the downstream process units for water-gas-shift, Fischer-Tropsch synthesis and balance of plant [BOP]. The deliverables from the operation of this pilot plant is firstly the liquid F-T products and finished fuels which are of interest to UK-CAER’s academic, government and industrial research partners. Going forward the facility will produce research quantities of F-T liquids and finished fuels for subsequent Fuel Quality Testing, Performance and Acceptability. Moreover, the facility is expected to be employed for a range of research and investigations related to: Feed Preparation, Characteristics and Quality; Coal and Biomass Gasification; Gas Clean-up/ Conditioning; Gas Conversion by -F-T Synthesis; Product Work-up and Refining; Systems Analysis and Integration; and Scale-up and Demonstration. Environmental Considerations - particularly how to manage and reduce carbon dioxide emissions from CBTL facilities and from use of the fuels will be a primary research objective. The results of this second phase study include the FEED study and detailed engineering design of the downstream processing units and BOP, the selection of a range of technologies and technology vendors, the as-built plant - its equipment and capabilities, and the results of two trial production runs, one with coal only and one with a coal/biomass blend. These are described in detail in this report.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Increasing the catalytic stability by optimizing the formation of zeolite-supported Mo carbide species ex situ for methane dehydroaromatization

The synthesis of zeolite-supported Mo carbide species was investigated by testing different reduction/carburization conditions applied to a zeolite-supported Mo oxide catalyst, with the aim to find the optimized treatment conditions essential to form stable supported Mo carbide catalysts ex situ for application in methane dehydroaromatization reaction. Four types of treatment were performed and studied using temperature-programmed reduction and carburization profiles: (1) heating the catalyst in a reducing gas, H 2 , up to reaction temperature and switching to CH 4 ; (2) heating the catalyst in a reducing gas, H 2 , mixed with dilute CH 4 ; (3) heating the catalyst in CH 4 up to reaction temperature; and (4) heating the catalyst in an inert gas (commonly He) up to reaction temperature and then switching to CH 4 or to H 2 followed by CH 4 or to H 2 /CH 4 mixture. Each of these processes were stopped at intermediate points to analyze the phases that were present in order to identify the structural evolution of the supported Mo carbides that originate from the supported Mo oxides. Once the supported carbides were formed, they were quenched under the same gas mixture, and then they were each tested in methane dehydroaromatization via previous heating to reaction temperature in He flow. Despite all of them showing only presence of Mo 2 C species on HZSM-5, the catalytic properties were dramatically different. Catalysts treated in H 2 or CH 4 /H 2 showed remarkably higher stability. These catalysts reflected a higher Mo dispersion and thus exposure on the active surface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-reported health impacts of do-it-yourself air cleaner use in a smoke-impacted community

Smoke exposure from wildfires or residential wood burning for heat is a public health problem for many communities. Do-It-Yourself (DIY) portable air cleaners (PACs) are promoted as affordable alternatives to commercial PACs, but evidence of their effect on health outcomes is limited. Pilot test an evaluation of the effect of DIY PAC usage on self-reported symptoms, and investigate barriers and facilitators of PAC use, among members of a tribal community that routinely experiences elevated concentrations of fine particulate matter (PM 2.5 ) from smoke. We conducted studies in Fall 2021 (“wildfire study”; N = 10) and Winter 2022 (“wood stove study”; N = 17). Each study included four sequential one-to-two-week phases: 1) initial, 2) DIY PAC usage ≥8 h/day, 3) commercial PAC usage ≥8 h/day, and 4) air sensor with visual display and optional PAC use. We continuously monitored PAC usage and indoor/outdoor PM 2.5 concentrations in homes. Concluding each phase, we conducted phone surveys about participants’ symptoms, perceptions, and behaviors. We analyzed symptoms associated with PAC usage and conducted an analysis of indoor PM 2.5 concentrations as a mediating pathway using mixed effects multivariate linear regression. We categorized perceptions related to PACs into barriers and facilitators of use. No association was observed between PAC usage and symptoms, and the mediation analysis did not indicate that small observed trends were attributable to changes in indoor PM 2.5 concentrations. Small sample sizes hindered the ability to draw conclusions regarding the presence or absence of causal associations. DIY PAC usage was low; loud operating noise was a barrier to use. This research is novel in studying health effects of DIY PACs during wildfire and wood smoke exposures. Such research is needed to inform public health guidance. Recommendations for future studies on PAC use during smoke exposure include building flexibility of intervention timing into the study design.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Tb{sub 2}O{sub 3} thin films: An alternative candidate for high-k dielectric applications

We are reporting the growth and structural, optical, and dielectric properties of Tb{sub 2}O{sub 3}, a relatively unexplored high-k dielectric material. A pulsed-laser deposition technique was used to grow Tb{sub 2}O{sub 3} thin-films on four different substrates: Si(100), SrTiO{sub 3}(100), LaAlO{sub 3}(100), and MgO(100). High-resolution X-ray diffraction and transmission electron microscopy results confirmed that film growth in an oxygen-rich (10{sup −1 }Torr) environment yields nearly single-crystal C-phase films, while a low-oxygen (10{sup −6 }Torr) environment growth results in the formation of monoclinic polycrystalline B-phase films. Optical transmission measurements showed that the bandgap of Tb{sub 2}O{sub 3} is direct in nature with a value of 2.8 eV and 3.4 eV for the cubic and monoclinic phases, respectively. By measuring the capacitance of test devices, quite high dielectric constants of 13.5 and 24.9 were obtained for the B- and C-phase Tb{sub 2}O{sub 3} films, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

NO 2 -mediated voloxidation for iodine separation from cesium iodide surrogates

Heterogeneous NO 2 -mediated oxidation of uranium, also known as advanced voloxidation, is a proposed head-end reprocessing method for used nuclear fuel. An advantage of advanced voloxidation is the removal of volatile fission products, which complicate downstream separation and containment challenges leading to increased processing economics. Iodine, one of the volatile species of interest, has exhibited varied results in this process. Using CsI as a surrogate material, this work mimics the effect of NO 2 -based voloxidation on iodine and sheds light on the factors that influence the solid–gas phase reaction. Solid-state analysis using Fourier transform infrared attenuated total reflectance spectroscopy and scanning electron microscopy with energy-dispersive X-ray spectroscopy confirmed the conversion of CsI to CsNO 3 . Iodine separation ranged from 46% to 100% across multiple tests. Iodine separation was most effective when multiple recharges of NO 2 were administered. In conclusion, at the bench scale, liberating iodine from CsI appears to occur within 1 h, but the presence of surface H 2 O and the composition of the NO x reagent mixtures greatly influence its success.

advanced voloxidation↗
DOE OSTI2023

Measurement of cross sections for production of a $Z$ boson in association with a flavor-inclusive or doubly $b$-tagged large-radius jet in proton-proton collisions at $\sqrt{s}$ = $13$ $\mathrm{TeV}$ with the ATLAS experiment

We present measurements of cross sections for production of a leptonically decaying $Z$ boson in association with a large-radius jet in 13 TeV proton-proton collisions at the LHC, using 36 fb –1 of data from the ATLAS detector. Integrated and differential cross sections are measured at particle level in both a flavor inclusive and a doubly $b$-tagged fiducial phase space. The large-radius jet mass and transverse momentum, its kinematic relationship to the Z boson, and the angular separation of $b$-tagged small-radius track jets within the large-radius jet are measured. This measurement constitutes an important test of perturbative quantum chromodynamics in kinematic and flavor configurations relevant to several Higgs boson and beyond-Standard-Model physics analyses. The results highlight issues with modeling of additional hadronic activity in the flavor-inclusive selection, and a distinction between flavor-number schemes in the $b$-tagged phase space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

The Alpenglow Instruments All Phase Water Probe: SBIR Phase I Final Report

Current approaches for measuring water vapor, ice water content, and liquid water content in the atmosphere have a variety of limitations. This is particularly true for ice water content measurements, which are needed in a variety of contexts including understanding the impact of clouds on global climate. The Alpenglow All-Phase Water Probe, which was motivated by limitations of current approaches to measuring water vapor, liquid water, and ice water content in the atmosphere, uses Raman scattering to derive these quantities. The use of Raman scattering signals for retrieval of water vapor mixing ratio, liquid and ice water content has been used in remote sensing applications. This project explored the use of the same approach in an in situ probe to measure all three phases of water in the atmosphere. The prototype device developed in this Phase 1 DOE SBIR proposal was used to demonstrate proof of concept for using Raman scattering to detect signals from water vapor, liquid water, and ice water. The prototype instrument consisted of the transmitting laser (355 nm, 7ns pulse), collector optics and receiver body, and data system. The receiver section body split the return signal into four channels, one for nitrogen plus channels dominated by water vapor, liquid water, and ice. Tests were conducted over a range of conditions ranging from ambient conditions in the lab (low water vapor mixing ratio, no liquid or ice water content), through a cool but saturated plume produced by an off-the-shelf humidifier (moderate water vapor mixing ratio plus some liquid water content), and hot, saturated stream containing extremely high water vapor mixing ratios with liquid water. Data from these tests, which was recorded using a Licel photon-counting data system, demonstrated the sensitivity of the system to varying water vapor mixing ratios ranging from ~5 g m -3 to > 20 g m -3 . Signals in the water vapor and ice channels were observed during the humidifier and hot vapor tests, as expected given the overlap between the ice and water vapor Raman spectra, with the relative contributions to each channel varying as expected with temperature.

58 GEOSCIENCES↗
DOE OSTI2025

Discovery, Design, Synthesis and Testing of High Performance Structural Alloys (Final Technical Report)

The overarching goal of this project is to understand the phase stability and mechanical behavior of non-stoichiometric multi-principal element alloy (MPEA) materials. In order to identify suitable alloys, we plan to use a combinatorial thin film screening approach, in collaboration with scientists at Lawrence Berkeley National Laboratory who are performing computational work as well as complementary experimental work. Specific tasks within the scope of this project include the fabrication, using thin film deposition from six sputtering targets, of combinatorial samples with multi-dimensional gradients in composition and microstructure. These samples are studied to screen MPEA systems for promising candidate alloys with specific composition(s), based on characterization of composition, structure and mechanical behavior across the thin film. We want to produce single-phase MPEAs with chemical homogeneity in a given thin film region, simple grain structures, and no intermetallic phases present. Gradient films facilitate first-pass screening for desirable characteristics and inform the next stage of work that involves fabrication of bulk MPEA specimens for (tensile) mechanical testing and characterization. To make the bulk alloys, metal (elemental) pieces are melted to form MPEAs, followed by heat treatment to homogenize the composition and microstructure. A subset of alloys is also cast, using vacuum arc melting, to yield larger samples (diameter ~1 cm and length ~5-10 cm) and these allow us to assess viability of scale-up for the alloys in structural applications. Further processing plans include rolling and heat treatment to recrystallize selected bulk MPEAs and grow grains to different extents, in order to investigate size effects in the mechanical behavior of MPEAs. Microspecimen testing will be performed (primarily in tension) to assess the mechanical behavior over a range of temperatures. The deformation microstructure of mechanically tested alloys will be characterized using transmission electron microscopy (TEM) to provide a scientific basis for understanding the structure-property relationships in MPEA mechanical behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2015

WRF-Chem model predictions of the regional impacts of N 2 O 5 heterogeneous processes on night-time chemistry over north-western Europe

Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N 2 O 5 ) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlations with measurements of 0.7–0.9 for NO 2 and O 3 ). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.5–0.7 μg kg −1 air , compared with measurements of 1.0–1.5 μg kg −1 air ). Two flights from the campaign were used as test cases – one with low relative humidity (RH) (60–70%), the other with high RH (80–90%). N 2 O 5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO 3 and N 2 O 5 . When the model failed to capture atmospheric RH correctly, the modelled NO 3 and N 2 O 5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles. The night-time NO 3 oxidation of VOCs across the whole region was found to be 100–300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less for alkenes (× 80) and comparable for dimethylsulfide (DMS). However the suppression of NO 3 mixing ratios across the domain by N 2 O 5 heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N 2 O 5 heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM 10 nitrate mass loadings remains around 5.6 μg kg −1 air , but the night-time minimum increases from 3.5 to 4.6 μg kg −1 air . The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Improvements to the WRF-Chem 3.5.1 model for quasi-hemispheric simulations of aerosols and ozone in the Arctic

In this study, the WRF-Chem regional model is updated to improve simulated short-lived pollutants (e.g., aerosols, ozone) in the Arctic. Specifically, we include in WRF-Chem 3.5.1 (with SAPRC-99 gas-phase chemistry and MOSAIC aerosols) (1) a correction to the sedimentation of aerosols, (2) dimethyl sulfide (DMS) oceanic emissions and gas-phase chemistry, (3) an improved representation of the dry deposition of trace gases over seasonal snow, and (4) an UV-albedo dependence on snow and ice cover for photolysis calculations. We also (5) correct the representation of surface temperatures over melting ice in the Noah Land Surface Model and (6) couple and further test the recent KF-CuP (Kain–Fritsch + Cumulus Potential) cumulus parameterization that includes the effect of cumulus clouds on aerosols and trace gases. The updated model is used to perform quasi-hemispheric simulations of aerosols and ozone, which are evaluated against surface measurements of black carbon (BC), sulfate, and ozone as well as airborne measurements of BC in the Arctic. The updated model shows significant improvements in terms of seasonal aerosol cycles at the surface and root mean square errors (RMSEs) for surface ozone, aerosols, and BC aloft, compared to the base version of the model and to previous large-scale evaluations of WRF-Chem in the Arctic. These improvements are mostly due to the inclusion of cumulus effects on aerosols and trace gases in KF-CuP (improved RMSE for surface BC and BC profiles, surface sulfate, and surface ozone), the improved surface temperatures over sea ice (surface ozone, BC, and sulfate), and the updated trace gas deposition and UV albedo over snow and ice (improved RMSE and correlation for surface ozone). DMS emissions and chemistry improve surface sulfate at all Arctic sites except Zeppelin, and correcting aerosol sedimentation has little influence on aerosols except in the upper troposphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Fatigue Performance of an Improved Creep Strength 10%Cr Steel

The deployment of 9-12% Cr steels for elevated temperature applications up to 650 °C presents a cost-effective alternative to more expensive nickel-based alloys in steam turbine power generation. To enhance creep resistance at this temperature range, a novel ferritic-martensitic steel, designated CPJ7, was developed and fabricated at the National Energy Technology Laboratory. The alloy design aimed to mitigate the transformation of strengthening carbides into deleterious phases that degrade creep performance. Results have demonstrated that CPJ7 exhibits favorable creep and oxidation resistance at 650 °C. However, its fatigue performance remains unexplored. This study builds upon prior research by evaluating the low cycle fatigue behavior of CPJ7 and verifying that modifications beneficial to creep performance were not detrimental to the fatigue performance. The alloy was tested at both 650 °C and ambient temperature under fully reversed bending conditions (R = − 1) and a load ratio of 0.05. Furthermore, the alloy exhibits cyclic softening, a behavior consistent with other 9-10 wt.% Cr steels. Analysis of the microstructure and hysteresis loops further corroborate cyclic softening mechanisms typical of ferritic-martensitic steels. Overall, the fatigue performance of CPJ7 meets or exceeds that of P91 steel, demonstrating its potential for high-temperature structural applications.

9% Cr ferritic-martensitic steel↗
DOE OSTI2015

Anisotropic swelling and microcracking of neutron irradiated Ti 3 AlC 2 -Ti 5 Al 2 C 3 materials

M n + 1 AX n (MAX) phase materials based on Ti–Al–C have been irradiated at 400 °C (673 K) with fission neutrons to a fluence of 2 × 10 25 n/m 2 (E > 0.1 MeV), corresponding to ~ 2 displacements per atom (dpa). We report preliminary results of microcracking in the Al-containing MAX phase, which contained the phases Ti 3 AlC 2 and Ti 5 Al 2 C 3 . Equibiaxial ring-on-ring tests of irradiated coupons showed that samples retained 10% of pre-irradiated strength. Volumetric swelling of up to 4% was observed. Phase analysis and microscopy suggest that anisotropic lattice parameter swelling caused microcracking. Lastly, variants of titanium aluminum carbide may be unsuitable materials for irradiation at light water reactor-relevant temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

IDC Reengineering Phase 2 Project Scope

The Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) operates the International Data Centre (IDC) to support treaty verification activities by Member States. The IDC collects, stores, processes, and distributes data from seismic, hydroacoustic, infrasound, and radionuclide stations. A significant component of the IDC is the seismic, hydroacoustic, and infrasound (SHI) processing system. The IDC has recognized the need to reengineer the SHI processing system and has defined a three-phase reengineering effort. IDC Reengineering Phase 1 (RP1) started in 2011 with the goal to significantly modernize SHI automatic and interactive data processing software, focusing on enhancements to individual components of the system. Reengineering Phase 2 (RP2), started in 2014, addresses the task of specifying a unified architecture for all SHI software, across processing stages, to pave the way for further software development and sustainment in the future. A key objective of RP2 is an architecture sufficient to provide a basis for a cost estimate for the development or enhancement of the software components and subsystems. This report provides a brief description of the scope of the IDC Reengineering Phase 2 project. It describes the goals and objectives of reengineering, the system definition, and the technical scope of the system.This report expands upon the “Scope for IDC Reengineering Phase 2”, July 2014, ECS-DIS-WGB-43-PTS-MATERIAL-12-ADD-1, produced by the IDC.

58 GEOSCIENCES↗
DOE OSTI2018

LP CO 2 Compressor Final Technical Report

This report summarizes work performed by Dresser-Rand, A Siemens Business and subcontractors, under DOE award number DE-FE0026727, in pursuit of the design, construction and test of a 10:1 pressure ratio “Low Pressure” (LP) supersonic CO 2 compressor suitable for use as a first stage in a two stage 100:1 compression system. This LP compressor, in conjunction with a corresponding 10:1 high pressure compressor, provide the overall 100:1 compression ratio required to compress CO 2 from 22 psia (as generated by a CO 2 capture system) to the 2215 psia required to transport CO 2 via a pipeline to a suitable sequestration site. The compressor demonstrates application of Dresser-Rand’s supersonic compression technology at an industrial scale using CO 2 in a closed-loop testing facility. This scope of this technical report is to summarize all phases of the program executed from August 5, 2015 to the June 30, 2018. This program included the final testing of a “high pressure” (HP) compressor that had previously been built by Dresser-Rand and the design, fabrication, assembly and test of a corresponding LP compressor. In summary, the LP compressor exceeded the target pressure ratio and efficiency goals for the program at CO 2 flowrates suitable for those expected in coal fired power plant carbon capture systems. Initial and Final Techno-Economic Analysis reports were generated to show the value this compression solution brings to carbon capture and sequestration (CC&S) systems for the Case B12B coal fired power plant model. Integration of the DATUM S compression technology into a carbon capture and sequestration system was shown to result in a 27% reduction in the Cost of Electricity for the compression system, as well as a 21,500 gallon per hour reduction in required cooling water flow for the plant.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Group-equivariant autoencoder for identifying spontaneously broken symmetries

We introduce the group-equivariant autoencoder (GE autoencoder), a deep neural network (DNN) method that locates phase boundaries by determining which symmetries of the Hamiltonian have spontaneously broken at each temperature. We use group theory to deduce which symmetries of the system remain intact in all phases, and then use this information to constrain the parameters of the GE autoencoder such that the encoder learns an order parameter invariant to these “never-broken” symmetries. This procedure produces a dramatic reduction in the number of free parameters such that the GE-autoencoder size is independent of the system size. We include symmetry regularization terms in the loss function of the GE autoencoder so that the learned order parameter is also equivariant to the remaining symmetries of the system. By examining the group representation by which the learned order parameter transforms, we are then able to extract information about the associated spontaneous symmetry breaking. We test the GE autoencoder on the 2D classical ferromagnetic and antiferromagnetic Ising models, finding that the GE autoencoder (1) accurately determines which symmetries have spontaneously broken at each temperature; (2) estimates the critical temperature in the thermodynamic limit with greater accuracy, robustness, and time efficiency than a symmetry-agnostic baseline autoencoder; and (3) detects the presence of an external symmetry-breaking magnetic field with greater sensitivity than the baseline method. Lastly, we describe various key implementation details, including a quadratic-programming-based method for extracting the critical temperature estimate from trained autoencoders and calculations of the DNN initialization and learning rate settings required for fair model comparisons.

42 ENGINEERING↗