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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Impact on Cycle Efficiency of Small CHP Plants from Increasing Firing Temperature Enabled by AM of Turbine Blades

Combined Heat and Power (CHP) systems are gaining popularity because of their potential for high overall thermodynamic efficiency and increased need for distributed power generation. Most CHP systems include a gas turbine for electricity generation and a heat recovery steam generator (HRSG) for steam generation. The steam can be used to power a steam turbine for additional electricity generation or to drive rotating equipment, for space heating, for absorption chillers, etc. A CHP cycle configuration is often driven by the ‘principal’ utility for the facility that it services; steam or electricity. In either case, performance improvements in the gas turbine have the potential to increase the steam and power output from the cycle, which is a direct result of improvements in the gas turbine efficiency and power output. One possible opportunity to improve an existing gas turbine’s performance is to increase the firing temperature with improved turbine cooling and increased compression ratio.<br>In this study, the impact on CHP cycle performance from increasing the turbine firing temperature by 100 °C and improving the turbine blade cooling for a 6-MW scale gas turbine is estimated using an analytical cooled gas turbine model and a steam cycle model. A sensitivity analysis was performed to understand the impact of increasing the internal cooling effectiveness, thermal barrier coating performance and blade material upgrades on gas turbine and CHP cycle efficiency. The impacts of turbine blade cooling improvements were studied for three common CHP cycle configurations identified from the literature. Various definitions for CHP cycle efficiency from the literature are used in the comparisons. The results showed that a 100 °C increase in firing temperature can increase the gas turbine efficiency by 1 percentage point without improving cooling effectiveness and add 2 additional percentage points in efficiency by using advanced turbine blades with higher internal cooling efficiency. Studied engine upgrades showed potential for increasing the CHP cycle efficiency by 3 percentage points while increasing the steam generation rate by 8%.<br>

Uysal, Selcuk Can↗
DOE OSTI2020

Life-Cycle Baseline Customization for the Formerly Utilized Sites Remedial Action Program - 20304

One of the responsibilities of the federal government is to estimate sound and defensible life-cycle baseline costs for use in federal budget estimates and to meet federal financial reporting requirements. To accomplish this, the US Department of Energy (DOE) Office of Legacy Management (LM) and the US Army Corps of Engineers (USACE) have partnered together to ensure that the liabilities documented in each Formerly Utilized Sites Remedial Action Program (FUSRAP) site's life-cycle baseline are specifically tailored. FUSRAP was created in the mid-1970's to clean up radiological contamination resulting from the early development of nuclear weapons. DOE was responsible for FUSRAP until October 1997, when Congress transferred the administration and execution of FUSRAP site cleanups to USACE. By 1997, DOE had completed the cleanup of 25 of the 46 sites that were active within the program and had begun cleanup at 13 additional sites. USACE was assigned responsibility for the cleanup of the 21 remaining FUSRAP sites, and at 8 additional sites that had since been referred for cleanup. The LM mission for the FUSRAP sites is to perform long-term surveillance and maintenance (LTS and M). Currently, LM provides long-term stewardship for 34 completed FUSRAP sites. Another 20 sites are under active remediation by USACE. Within the last 5 years, USACE has completed the cleanup at five FUSRAP sites and the LTS and M responsibility has been transferred to LM. By 2029, USACE will compete remediation at eight additional sites and LTS and M for those sites will transfer to LM. Because responsibilities for the FUSRAP sites transfer between USACE and LM upon completion of remedial actions, both agencies maintain life-cycle baselines for different stages of the project and both must have a strong understanding of the needs and requirements for each site. This understanding ensures that the life-cycle baselines form a complete and accurate picture of what is required for the site and for the FUSRAP program. LM focuses on several things when customizing the life-cycle baseline estimates for the FUSRAP sites, including (1) Understanding the unique requirements for each site. By reviewing site-specific documents prepared by USACE, such as Feasibility Studies and Records of Decision, and partnering with USACE to gain additional insight about site conditions and requirements for stewardship, as well as potential risks, LM can better develop the life-cycle baselines. (2) Developing site-specific labor breakdowns. This ensures the required labor mix is baselined for specific activities by comparing the labor mix required to perform activities at (a) other LM-managed FUSRAP sites and (b) non-FUSRAP LM sites and (c) by USACE at active FUSRAP sites. (3) Taking a tiered approach to life-cycle baseline planning. Estimates for sites transferring to LM in the near term (5 years) are more definitive than for sites transferring in the out-year period. Remedial actions at the near-term sites are at or near completion, providing LM a strong understanding of the LTS and M requirements and remaining liabilities. This in turn allows for site-specific customization of the baseline. (4) Using a robust risk management approach to ensure that liabilities specific to each site are identified, evaluated by probability and severity, and documented in relation to the impact to cost or schedule. To ensure the most accuracy within all the baselines, the FUSRAP life-cycle baselines are updated as needed to support program, project, and contract management needs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Bayesian learning for rapid prediction of lithium-ion battery-cycling protocols

Advancing lithium-ion battery technology requires the optimization of cycling protocols. A new data-driven methodology is demonstrated for rapid, accurate prediction of the cycle life obtained by new cycling protocols using a single test lasting only 3 cycles, enabling rapid exploration of cycling protocol design spaces with orders of magnitude reduction in testing time. We achieve this by combining lifetime early prediction with a hierarchical Bayesian model (HBM) to rapidly predict performance distributions without the need for extensive repetitive testing. The methodology is applied to a comprehensive dataset of lithium-iron-phosphate/graphite comprising 29 different fast-charging protocols. HBM alone provides high protocol-lifetime prediction performance, with 6.5% of overall test average percent error, after cycling only one battery to failure. Here, by combining HBM with a battery lifetime prediction model, we achieve a test error of 8.8% using a single 3-cycle test. In addition, the generalizability of the HBM approach is demonstrated for lithium-manganese-cobalt-oxide/graphite cells.

25 ENERGY STORAGE↗
DOE OSTI2021

A Transient-Response methodology based on experiments and modeling for Cu-Redox Half-Cycle kinetic analysis on a Cu-SSZ-13 SCR catalyst

In this report the Standard SCR reaction catalyzed by Cu-SSZ-13 is a redox process consisting of a reduction half cycle (RHC) and an oxidation half cycle (OHC) that cycle the active Cu sites between the Cu(II) and Cu(I) states. In the current work, a transient-response methodology consisting of experimental transient response Cu-redox (TRCR) measurements and kinetic modeling was developed for detailed study of individual SCR Cu-redox half cycles. The TRCR protocol allows quantification of the reducible Cu density, Cu(II)-Cu(I) partitioning, relative native RHC and OHC rates, and limiting half cycle during SCR. The half-cycle kinetics are studied over a wide (170–450 °C) temperature, and in differential segments along the catalyst length using spatially resolved capillary inlet mass-spectrometry (SpaciMS). The protocol alone provides two independent measures indicating that OHC increases faster than RHC with temperature, and that at all but the lowest temperature SCR is RHC limited. Introducing the transient kinetic models allows half-cycle reaction pathways, orders and activation energies to be studied and determined; e.g., RHC involves surface and gas-phase NH 3 routes, and OHC with O 2 involves dimer formation. Application of the full methodology provides further confirmation and quantification of the protocol conclusions, and specifically the first measurements of RHC and OHC activation energies; specifically for parallel RHC surface and gas-phase routes, and experimentally obtained OHC activation energy vs. first-principle calculations in the literature. Beyond insights related to the degreened catalyst studied here, the methodology provides a broadly available approach for quantifying how aging processes selectively impact RHC and OHC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Effect of pressure cycling and compression rate on the bcc-hcp transition in an FeNi alloy

Here, we investigate the body-centered cubic (bcc) to hexagonal close-packed (hcp) phase transition in Fe-10wt. %Ni alloy, combining pressure cycling and fast compression with time-resolved synchrotron x-ray diffraction in a dynamic diamond anvil cell. Three pressure cycles were conducted with compression rates ranging from 0.1 to nearly 10 3 GPa/s. During the first cycle with the slowest compression, the observed orientations in the bcc and hcp phases are consistent with the Burgers mechanism, followed by c-axis rotation of the hcp phase consistent with {$10$ $\bar{1}2$} twinning. During the following cycles with fast compression at 10 2 –10 3 GPa/s, the hcp phase exhibits negligible c-axis rotation with a nearly constant c/a ratio of ∼1.61 up to ∼30 GPa, indicating suppression of plastic deformation (especially, twinning) due to sample confinement from the gasket. Notably, the onset pressure of the transition decreases with additional pressure cycling and faster compression, which normally leads to over-pressurization. This suggests that defects or shear induced from the pressure cycling reduces the transition kinetics even during fast compression. These insights into the deformation and transition behavior in an FeNi alloy under multiple dynamic loading cycles can offer guidance for future design of advanced structural alloys and improve our understanding of planetary core processes.

FeNi alloy↗
DOE OSTI2026

Nutrient limitation shapes functional traits of mycorrhizal fungi and phosphorus-cycling bacteria across an elevation gradient

In nutrient-limited high-elevation ecosystems, plants rely on arbuscular mycorrhizal (AM) fungi to provide mineral phosphorus (P) in the form of phosphate (PO43-). AM fungi gather these nutrients from phosphorus-cycling bacteria (PCBs) that can mineralize PO43- from organic matter and solubilize mineral-bound P. How climate, soil factors, and nutrient limitation influence AM fungi and PCB assembly remains unclear. We collected soil from montane meadows across a 1,000-m elevation gradient on three replicate mountainsides and analyzed AM fungal marker genes, P-cycling genes from shotgun metagenomes, and edaphic measurements. High-elevation soils had nearly 50-fold less soil PO₄³⁻ and 60% more AM fungal hyphae than low-elevation soils. AM fungal turnover was linked to changes in pH, organic carbon, and PO₄³-. The composition of 198 P-cycling genes was influenced by the AM fungal community structure. Drivers of individual PCB functional genes, including pH and organic carbon, varied with gene phylogeny. We found a trade-off in P-cycling strategies across elevation: P-rich, low-elevation soils supported root-colonizing AM fungi and organic P-mineralizing bacteria. P-poor, high-elevation soils were dominated by stress-tolerant AM fungi and mineral P-solubilizing bacteria. Our results suggest that AM fungi and PCB community turnover across elevation are both shaped by pH, organic carbon, and P availability. With continued climate warming, the structure and function of mountaintop ecosystems might shift to resemble lower elevations, disrupting long-established and specialized microbial assemblages, with consequences for P-cycling dynamics and the total P available to plant communities.IMPORTANCEPhosphorus (P) limits plant productivity in high-elevation ecosystems, yet the microbial networks that mobilize P, including arbuscular mycorrhizal (AM) fungi and phosphorus-cycling bacteria (PCBs), remain under-characterized in these nutrient-poor soils. We show that across a 10,00-m elevation gradient, AM fungi and P-cycling gene assemblages shift predictably with pH, organic carbon, and phosphate availability. Higher elevations, with less available P, select for stress-tolerant AM fungal taxa and PCB strategies geared toward mineral solubilization, while low-elevation sites favor root colonization by AM fungi and organic P mineralization. These results suggest that nutrient limitation can constrain microbial community assembly in consistent ways across landscapes. High mountain soils are low in P and rely on a network of underground AM fungi and PCB to deliver nutrients to plants. This study shows how those underground relationships reorganize with elevation and how climate change could collapse long-standing microbial strategies by pushing high-elevation ecosystems toward lowland conditions. As soils warm and dry, the microbial scaffolding that supports alpine plant life may become increasingly unstable.

arbuscular mycorrhizal fungi↗
DOE OSTI2020

Comparative Life Cycle Analysis of Scalable Single-Junction and Tandem Perovskite Solar Cell (PSC) Systems

Efficient, low-cost solar cells based upon perovskites have the potential to transform the US and global energy portfolio and improve energy security if they can be manufactured in an environmentally sustainable manner. However, previous life cycle analyses (LCA) of perovskite solar cells (PSC) used lab recipes to project the environmental impact of industrial PSC production – using materials and processes that may not be representative of industrial productions due to high material waste and complex synthesis – and such studies were limited to a few single-junction technologies. Thus, the goal of this project was threefold: a) to review the most promising for industrial production single-junction and tandem PSC technologies, b) to build life-cycle materials inventories that reflect scalable production of these technologies, and c) to conduct comprehensive life-cycle analysis of these technologies and compare their environmental impact with those of established commercial technologies. In response, this project identified challenges for fabrication transitioning from laboratory to sustainable industrial production, developed life-cycle inventory (LCI) data for scaling to industrial production four promising single-junction and three tandem PSC systems and produced life-cycle-investigations using, as metrics, a complete spectrum of energy, environmental and ecological impact indicators. Special focus was given to the use of lead, silver and indium in PSC. The project used the Life Cycle Assessment (LCA) methodology as standardized by the Society of Environmental Toxicology and Chemistry (SETAC), ISO standards 14040 and 14044, and the International Energy Agency PVPS Task 12 LCA guidelines. LCA allows the calculation of a number of energy and environmental and impact categories, including energy cumulative energy demand (CED), global warming potential (GWP), human toxicity potential (HTP), eco-toxicity potential (ETP), abiotic resource depletion potential (ADP), acidification potential (AP), ozone depletion potential (ODP), photochemical oxidation potential (POP), eutrophication potential (EP). In addition to those, we calculated the Energy Pay-Back Time (EPBT) and the Energy Return On Investment (EROI). We provide LCA impacts for complete perovskite PV systems – including balance of system components – installed at three irradiation levels and considering reference and future potential module efficiencies. Finally, a sensitivity analysis on perovskite lifetime has been performed, considering 10, 20 and 30 years. Contribution analysis of the impacts of each material and layer of PSC shows, that the use of Pb in metalorganic PSC does not result in significant environmental impacts as the major contributions to environmental indicators arise from the use of Ag and encapsulation materials. Solution-based PSC manufacturing was found to be less impactful to the environment than vapor-based fabrication, and roll-to-roll (RtR) printing uses less energy and generates the lowest emissions. PSC produced with RtR manufacturing could reach the same Energy Return on Energy Investment (EROI) as that of crystalline-Si PV within 12 years of life, whereas the most energy demanding spray coating on rigid substrates, would require a 20-yr life to match the EROI of 30-yr lasting silicon PV. This work lays the foundation for sustainability investigations in a comparative context of large-scale production and deployment of PSC. The results of this project have the potential to have a significant impact on the future of PV manufacturing, by providing industry, policy-makers, and academia with insights necessary to choose which, if any, lead-based solar cell life cycles are environmentally sustainable.

14 SOLAR ENERGY↗
DOE OSTI2022

Integrating the Safety Evaluation for a Molten Salt Reactor Operation and Fuel Cycle Facility Application

Molten salt reactor (MSR) sites may include additional elements of the nuclear fuel cycle beyond those of the existing fleet. In the existing fleet, the individual elements of the fuel cycle typically have been located on different sites and licensed separately. Providing robust separation between hazards remains a useful safety practice for MSRs. Although the different elements of the fuel cycle at a nuclear site that includes MSRs may transfer material between processes more frequently than prior practices, providing adequate separation between distinct facilities avoids the potential for adverse interactions. Additionally, some elements of the MSR fuel cycle, such as fuel salt preparation or waste stabilization, may be more efficient to share among multiple nearby reactors, and nuclear sites that include MSRs may also include other reactor classes. Hence, discrete MSR fuel cycle facilities located at a common site could be physically separated with robust barriers—albeit potentially connected by piping—and licensed individually. This report describes the hazards of individual elements of representative MSR fuel cycle facilities, including their relationship to overall site level hazards. The report maps the regulatory compliance aspects of the individual MSR fuel cycle elements (e.g., fuel salt preparation, reactor, waste stabilization) to existing and developing regulations, as well as describes current and developing site-level regulations from an MSR perspective.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Ultrahigh coulombic efficiency electrolyte enables Li||SPAN batteries with superior cycling performance

Raising the coulombic efficiency of lithium metal anode cycling is the deciding step in realizing long-life rechargeable lithium batteries. Here, we designed a highly concentrated salt/ether electrolyte diluted in a fluorinated ether: 1.8 M LiFSI in DEE/BTFE (diethyl ether/bis(2,2,2-trifluoroethyl)ether), which realized an average coulombic efficiency of 99.37% at 0.5 mA cm -2 and 1 mAh cm -2 for more than 900 cycles. This electrolyte also maintained a record coulombic efficiency of 98.7% at 10 mA cm -2 , indicative of its ability to provide fast-charging with high cathode loadings. Morphological studies reveal dense, dendrite free Li depositions after prolonged cycling, while surface analyses confirmed the formation of a robust LiF-rich SEI layer on the cycled Li surface. Moreover, we discovered that this ether-based electrolyte is highly compatible with the low-cost, high-capacity SPAN (Sulfurized polyacrylonitrile) cathode, where the constructed Li||SPAN cell exhibited reversible cathode capacity of 579 mAh g -1 and no capacity decay after 1200 cycles. A cell where a high areal loading SPAN electrode (>3.5 mAh cm -2 ) is paired with only onefold excess Li was constructed and cycled at 1.75 mA cm -2 , maintaining a coulombic efficiency of 99.30% for the lithium metal. Computational simulations revealed that at saturation, the Li-FSI complex forms contact ion pairs, with a first solvation shell comprising DEE molecules, and a second solvation shell with a mix of DEE/BTFE. This study provides a path to enable high energy density Li||SPAN batteries with stable cycling.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantifying Carbon Cycle Extremes and Attributing Their Causes Under Climate and Land Use and Land Cover Change From 1850 to 2300

The increasing atmospheric carbon dioxide (CO 2 ) mole fraction affects global climate through radiative (trapping longwave radiation) and physiological effects (reduction of plant transpiration). We use the simulations of the Community Earth System Model (CESM1-BGC) forced with Representative Concentration Pathway 8.5 to investigate climate-vegetation feedbacks from 1850 to the year 2300. Human-induced land use and land cover change (LULCC), through biogeochemical and biogeophysical processes, alter the climate and modify photosynthetic activity. The changing characteristics of extreme anomalies in photosynthesis, referred to as carbon cycle extremes, increase the uncertainty of terrestrial ecosystems to act as a net carbon sink. However, the role of LULCC in altering carbon cycle extremes under business-as-usual (continuously rising) CO 2 emissions is unknown. Here we show that LULCC magnifies the intensity, frequency, and extent of carbon cycle extremes, resulting in a net reduction in expected photosynthetic activity in the future. We found that large temporally contiguous negative carbon cycle extremes are due to a persistent decrease in soil moisture, which is triggered by declines in precipitation. With LULCC and global warming, vegetation exhibits increased vulnerability to hot and dry environmental conditions, increasing the frequency of fire events and resulting in considerable losses in photosynthetic activity. While most regions show strengthening of negative carbon cycle extremes, a few locations show a weakening effect driven by declining vegetation cover or benign climate conditions for photosynthesis. Increasing hot, dry, and fire-driven carbon cycle extremes are essential for improving carbon cycle modeling and estimation of ecosystem responses to LULCC and rising CO 2 mole fractions. Moreover, large aberrations in vegetation productivity represent potential and growing threats to human lives, wildlife, and food security.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Realistic Precipitation Diurnal Cycle in Global Convection-Permitting Models by Resolving Mesoscale Convective Systems

Accurately representing the precipitation diurnal cycle has long been a challenge for global climate models (GCMs). Here we evaluate the precipitation diurnal cycle in the DYAMOND global convection-permitting models (CPMs) and CMIP6 HighResMIP models. Comparison of the high- (25–50 km) and low-resolution (100–250 km) models with parameterized convection in HighResMIP shows that simply increasing model resolution does not noticeably improve the precipitation diurnal cycle. In contrast, CPMs can better capture the observed amplitude and timing of precipitation diurnal cycle. However, the simulated spatial variation of timing in CPMs is smaller than observed, leading to an exaggeration of the spatially averaged diurnal amplitude. The better-simulated precipitation diurnal cycle in the CPMs is tied to mesoscale convective systems (MCSs), which contribute about half of the total precipitation. The observed life cycle of MCSs, including initiation and mature stages, is well captured in the CPMs, leading to a more realistic precipitation diurnal cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Simulating evaporative wet and dry cycles in Gale crater, Mars using thermochemical modeling techniques

The aim of this work is to provide a model‐backed hypothesis for the formation of evaporites—sulfates, borates—in Gale crater using thermochemical modeling to determine constraints on their formation. We test the hypothesis that primary evaporites required multiple wet–dry cycles to form, akin to how evaporite assemblages form on Earth. Starting with a basalt‐equilibrated Mars fluid, Mars‐relevant concentrations of B and Li were added, and then equilibrated with Gale lacustrine bedrock. We simulated the cycles of evaporation followed by groundwater recharge/dilution to establish an approximate minimum number of wet–dry cycles required to form primary evaporites. We determine that a minimum of 250 wet–dry cycles may be required to start forming primary evaporites that consist of borates and Ca‐sulfates. We estimate that ~14,250 annual cycles (~25.6 k Earth years) of wet and dry periods may form primary borates and Ca‐sulfates in Gale crater. These primary evaporites could have been remobilized during secondary diagenesis to form the veins that the Curiosity rover observes in Gale crater. No Li salts form after 14,250 cycles modeled for the Gale‐relevant scenario (approximately 10 6 cycles would be needed) which implies Li may be leftover in a groundwater brine after the time of the lake. No major deposits of borates are observed to date in Gale crater which also implies that B may be leftover in the subsequent groundwater brine that formed after evaporites were remobilized into Ca‐sulfate veins.

58 GEOSCIENCES↗
DOE OSTI2023

Microbial metabolic dependency and its impacts on the soil carbon cycle (Final Technical Report, DE-SC0016364)

The terrestrial biosphere contains a large fraction of global carbon (C) and nearly 70% of the organic C in terrestrial systems is found in soils. Global changes in atmospheric CO 2 , temperature, precipitation, and ecosystem N inputs, will impact primary production and carbon inputs to soils, but it remains difficult to predict soil responses to these environmental conditions. Our ability to predict C-cycle responses to global change remains limited by unexplained variability within the terrestrial C-cycle. Our difficulty in predicting responses of the soil C-cycle to environmental change suggests a need for a greater understanding of the biotic mechanisms that govern soil C-transformations. Changes in microbial community structure and function have been proposed to impact soil processes, but mechanistic connections between microbial activity and C-cycle transformations remain poorly described. We assembled an interdisciplinary team to conduct cross-scale examination of microbial contributions to C-cycle dynamics and C-fate in soils. We investigated microbial contributions to soil C-transformations using a suite of complementary isotopic techniques including DNA-Stable Isotope Probing (DNA-SIP), metagenomic-SIP, metabolomic-SIP, proteomic-SIP, and microspatial analysis of soil organic C. These techniques were deployed in experiments that tested fundamental assumptions that underlie terrestrial C-cycle models. We characterized the functional characteristics of soil microorganisms responsible for major C-transformations in soil, evaluated the metabolic and ecological interactions that underlie soil C-cycle dynamics, and evaluated the degree to which these interactions impact rates of C mineralization and stabilization in soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication "Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil" in the Journal of Geophysical Research-Biogeosciences. We simulated biogeochemical cycling in arctic soils using the PFLOTRAN geochemical model combined with measurements from previous NGEE Arctic incubations of polygonal permafrost soils in northern Alaska (Zheng et al., 2018). Simulated iron cycling, carbon dioxide production, and methane production were compared with incubation measurements and the parameterized model was then used to simulate coupled iron and carbon cycling over repeated oxic-anoxic cycles at different levels of carbon substrate availability and pH. The most recent data version (2.0) in the archive incorporates changes to the model and simulations as suggested by reviewers during the manuscript review process. These changes include an updated parameterization of the model; a new set of simulations omitting the iron cycle for direct evaluation of how iron cycle processes affect modeled outcomes; and a set of simulations testing different scenarios of carbon substrate availability in addition to scenarios of initial soil pH. This archive contains simulation code, model output, and analysis code for PFLOTRAN simulations. All scripts are python except the batch script for submitting multiprocessor jobs. Note that the model also requires compiled versions of the Alquimia interface and the NGEE Arctic fork of the PFLOTRAN geochemical simulator (see the README_INSTALL document for basic instructions). The Output directory contains eight data files in netCDF format generated by the model. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Implementation of fuel management multi-cycle optimization capabilities in RAVEN optimization framework

Optimization in nuclear fuel-management assists the core reload engineer with finding optimal out-of-core and in-core strategies. RAVEN is INL’s open source software that is equipped with fuel-management optimization capabilities including single-cycle, single- and multi-objective optimization of pressurized water reactors (PWRs) loading patterns (LP) of a fresh core using genetic algorithm (GA) and non-dominated sorting genetic algorithm (NSGA-II). In practice, however, medium and long term planning of fuel-management needs a multi-cycle approach, where the history and availability of fuel assemblies is considered in the optimization process. In this paper, we present a description of an initial expansion of RAVEN fuel-management optimization capabilities for a multi-cycle optimization framework. N-th cycle optimization capabilities that account for the unique history of recycled fuel assembly in the core were added. The multi-cycle optimization approach taken is formulated as a cycle-wise optimization problem where out-of-core decisions are used to onset each cycle optimization. Out-of-core decisions are managed externally to the in-core optimization by a fuel inventory management module. A proof-of-concept optimization problem is also presented.

42 - ENGINEERING↗
DOE OSTI2021

Experimental validation of an organic rankine-vapor compression cooling cycle using low GWP refrigerant R1234ze(E)

There is a significant global opportunity to capture and utilize low grade waste heat to reduce fossil fuel consumption, greenhouse gas emissions, and improve energy efficiency across a wide range of industries. In this work, an advanced type of thermally activated cooling system, an organic Rankine-vapor compression cycle (ORVC) with novel heat integration strategies, was designed and tested at a relevant scale for industrial waste heat recovery (300 kW th cooling capacity). The ORVC linked an organic Rankine power cycle and a vapor compression cooling cycle using a turbine and compressor that shared a single shaft. The ORVC test facility absorbed waste heat from a liquid stream at 91 °C to simulate engine coolant in diesel generator sets, rejected heat to a glycol stream at 30 °C, and generated chilled water at 7 °C. A cooling capacity of 264 kW ± 3.5 kW was experimentally validated with a COP of 0.56 ± 0.01 during steady-state operation at the design temperatures. The thermal efficiency, accounting for pump work, of the Rankine cycle was 7.7% ± 0.22% and the COP of the vapor compression cycle was 5.25 ± 0.09. The centrifugal turbo-compressor operated at 31.5 kRPM ± 0.3 kRPM, with a turbine and compressor isentropic efficiencies of 76.7% ± 0.90% and 84.8% ± 0.54%, respectively, with near-perfect power transmission between these components. The pressure drop in the piping and heat exchangers were significantly larger than expected which had a detrimental impact on the performance of the ORVC. In addition, the condenser on the cooling cycle could not deliver the subcooling as specified from the design point modeling. Furthermore, the results from the sensitivity analysis showed that the higher condenser glycol outlet temperature had the largest impact on performance, which is consistent with other analytical models in the literature. When the ORVC simulations were updated with experimental values for isentropic efficiencies of the turbomachinery, the thermal COP was 0.66 which represents an estimate of the predicted performance if test facility limitations are overcome.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

A data-driven model for thermodynamic properties of a steam generator under cycling operation

The varying electricity demand from coal power plants due to the intermittent nature of renewable sources leads to load-follow and on/off operations referred to as cycling. Cycling causes transients of properties such as pressure and temperature within various components of the steam generation system.These transients cause increased damage because of fatigue and creep-fatigue interactions shortening the life of components. An algorithm is developed to identify cycling operations from the gross power data. The data-driven model based on artificial neural networks (ANN) is developed using 10 years data from Coal Creek Station power plant located in North Dakota, USA to estimate properties of the steam generator components during cycling operations. Furthermore, the uniqueness of this model is the ability to predict component properties for the cycling as well as base-load operations and is reported for the first time. The ANN model estimates the component properties, for a given gross power profile and initial conditions, as they vary during cycling operations. As a representative example, the ANN estimates are presented for the superheater outlet pressure, reheater inlet temperature, and flue gas temperature at the air heater inlet. The changes in these variables as a function of the gross power over the time duration are compared with measurements to assess the predictive capability of the model. Mean square errors of 4.49E-04 for superheater outlet pressure, 1.62E-03 for reheater inlet temperature, and 4.14E-04 for flue gas temperature at the air heater inlet were observed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

A Deterministic Multivariate Clustering Method for Drive Cycle Generation from In-Use Vehicle Data

Accurately characterizing vehicle drive cycles plays a fundamental role in assessing the performance of new vehicle technologies. Repeatable, short duration representative drive cycles facilitate more informed decision making, resulting in improved test procedures and more successful vehicle designs. With continued growth in the deployment of onboard telematics systems employing global positioning systems (GPS), large scale, low cost collection of real-world vehicle drive cycle data has become a reality. As a result of these technological advances, researchers, designers, and engineers are no longer constrained by lack of operating data when developing and optimizing technology, but rather by resources available for testing and simulation. Experimental testing is expensive and time consuming, therefore the need exists for a fast and accurate means of generating representative cycles from large volumes of real-world driving data. This paper explores the development and initial validation of a method of generating representative drive cycles from large collections of real-world vehicle data using a deterministic multivariate clustering approach. Starting with theory and diving into the methodology behind representative cycle generation, the paper aims to also present graphical and tabular results of initial validation via vehicle simulation and chassis dynamometer testing. Additional topics for further research and areas for ongoing development will also be presented.

47 OTHER INSTRUMENTATION↗