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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Advancing Concentrating Solar Thermal Modeling Using System Advisor Model (SAM)

Concentrating solar thermal (CST) technologies play a critical role in enabling dispatchable power and high-temperature industrial heat applications. Accurate and flexible modeling tools are essential for evaluating system performance, guiding technology research and development, and informing investment decisions. The National Laboratory of the Rockies's System Advisor Model (SAM) is a widely used techno-economic simulation platform for CST systems, providing detailed performance and financial modeling capabilities for multiple CST system configurations. SAM integrates physics-based performance models with financial analysis to simulate the behavior of complex energy systems under realistic operating conditions. For CST technologies (including tower, parabolic trough, and linear Fresnel), SAM enables hourly simulations using site-specific weather data that ensure feasible operating conditions and convergence of mass and energy between core system components (i.e., solar field, receiver, thermal energy storage, and power cycle). These capabilities allow researchers and developers to evaluate annual energy production, capacity factors, levelized cost of energy (LCOE), and system dispatch strategies. A key advantage of SAM lies in its flexibility for parametric analysis and large-scale computational studies. Users can vary system design parameters such as heliostat field layout, receiver dimensions, thermal energy storage capacity, power block sizing, and installation cost assumptions to investigate their impact on system performance and financial metrics. When combined with automated scripting through LK, SDKTool, or Python interfaces, SAM enables high-throughput simulation workflows that support sensitivity analysis, technology benchmarking, and optimization studies. These approaches are particularly valuable for next-generation CST concepts, where design spaces are large and system interactions are complex. Another important capability of SAM is its support for dispatch optimization and thermal energy storage modeling, which are central to the value proposition of CST technologies. The ability to simulate integrated storage and flexible power generation allows researchers to explore strategies that maximize grid value, improve capacity utilization, and enhance integration with variable resources such as photovoltaic and wind generation. This poster will present an overview of SAM's thermal system modeling capabilities including concentrating solar. Additionally, we will highlight new feature developments including: 1) implementing Google's OR-Tools optimization platform for faster and more robust dispatch optimization, 2) developing a new power load following controller for modeling behind-the-meter applications, 3) enabling direct modeling of CSP-PV hybrid systems with the inclusion of battery storage, and 4) developing a multi-receiver falling particle Gen3 system model.

14 SOLAR ENERGY↗
NASA NTRS1977

Tailcone on orbiter altitude attainable at the maximum ALT interface airspeed

A preflight analysis performed for verification of the ALT mated vehicle incidence angle which maximizes the post separation altitude attainment by the orbiter at the maximum approach and landing test (ALT) interface airspeed (300 KEAS) is discussed. In the analysis, altitude versus airspeed profiles are generated for each of the three incidence angles that include and bound the recommended incidence angle for both the forward and the aft cg tailcone on orbiter configurations. Results show that the recommended incidence angles maximize the orbiter post separation altitude attainable within an acceptable tradeoff between separation clearance capability and orbiter structural constraints. Within constraints, the incidence angle that maximizes the orbiter altitude at the maximum ALT interface airspeed for both the forward and aft cg orbiter tailcone on configurations is 6.0 deg. The requirement for a parametric analysis of orbiter altitude attainable at the maximum ALT interface airspeed is stated along with the specifications, assumptions, and analytical approach used to determine orbiter altitude attainable at the maximum ALT interface airspeed.

Glenn, G. M.↗
NASA NTRS1985

Bearing Tester Data Compilation Analysis, and Reporting and Bearing Math Modeling

The magnitude and direction of fluid induced torques and forces on the 57 mm bearing cage is considered to be a contributing factor in possible cage instabilities that can produce intermittent high heating in the bearing. Analyses of the fluid forces and torques are presented. Heat generated by viscous fluid work was estimated for two flow diverter configurations and a coolant flow of 10 lbs/sec to support the thermal evaluation of the LOX Bearing Materials Tester. Results of the analysis of the LOX turbopump turbine end bearings are discussed. Coolant velocities for the no. 4 LOX turbopump turbine end bearings were estimated as a function of shaft speed and coolant flow rate. Contact angles and track width data were developed for the 57 mm bearing as functions of shaft speed, and axial and radial loads. The Advanced Dynamics of Rolling Elements (ADORE) computer program was installed on the MSFC UNIVAC 1100 and a test case successfully run. Both the text output and the plotting output were verified. The Bearing Seal and Materials Tester - Test Condition Data Base was developed. The parametric analysis of the operating characteristics of the LOX turbopump pump end bearing using the 45 mm bearing thermal model was begun.

Source record↗
DOE OSTI2025

Microreactor Optimization Using Simulation And Economics (mouse)

Microreactor Optimization Using Simulation and Economics (MOUSE) is a tool that integrates both nuclear microreactor design and reactor economics to provide comprehensive evaluations and optimizations. This tool enables stakeholders to explore the interplay between technical and economic variables, guiding them towards effective and competitive microreactor solutions. For the reactor core simulations, MOUSE leverages the OpenMC Monte Carlo Particle Transport Code to perform detailed core simulations for various microreactor designs. The included OpenMC models are 2D core designs of a Liquid Metal Thermal Microreactor (LMTR), a Gas-Cooled TRISO-Fueled Microreactor (GCMR), and a Heat Pipe Microreactor. Beyond core design, MOUSE includes simplified calculations for: - Calculating the masses of heat exchangers within the system. - Mechanical power of pumps. - Estimating the area occupied by various buildings within the nuclear plant. For the economic analysis, MOUSE provides detailed bottom-up cost estimates, encompassing a wide range of costs including preconstruction costs, direct costs, indirect costs, training costs, financial costs, operation & maintenance (O&M) costs, and fuel costs. These cost estimations are developed using data from the MARVEL project and additional literature sources, enabling the calculation of total capital costs and levelized cost of energy for both first-of-a-kind and nth-of-a-kind microreactors. MOUSE also enables analysis of the cost drivers and competitiveness in the electricity market. MOUSE allows users to modify a wide array of technical and economic parameters to evaluate different scenarios and their impacts. Examples of these parameters include: Fuels, coolants, or reflector materials Enrichment levels Control drum materials and geometry Fuel pin geometry and materials Moderator pin geometry and materials Reactor core and reflector dimensions Packing factor for the TRISO particles Nuclear reactor power and reactor burnup Number of sensors Shielding thickness Reactor vessel and guard vessel dimensions Operational staff requirements Number of emergency shutdowns Levelization period Interest rate Construction duration Since MOUSE is powered by the WATTS toolkit, it supports optimization studies, parametric analyses, and uncertainty calculations/propagation. The optimization techniques enable users to identify optimal design and economic configurations. The parametric analysis tools allow users to explore the sensitivity of various parameters, while uncertainty propagation helps quantify the impact of uncertainties on overall performance and cost. User Interface and Workflow: Currently, MOUSE is a command-line-based tool. Users can input various reactor design or economic parameters, modify the designs, run simulations, and visualize results through comprehensive data visualization and reporting capabilities. The typical workflow involves setting up the reactor model, defining economic parameters, running simulations, and analyzing the results to make informed decisions. By combining advanced design calculations with detailed economic modeling, MOUSE provides a robust framework for optimizing nuclear microreactor technologies, enhancing their competitiveness, and guiding stakeholders towards innovative and cost-effective solutions.

Hanna, Botros [Idaho National Laboratory (INL), Id↗
NASA NTRS1976

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 11: Advanced steam systems

A parametric analysis was made of three types of advanced steam power plants that use coal in order to have a comparison of the cost of electricity produced by them a wide range of primary performance variables. Increasing the temperature and pressure of the steam above current industry levels resulted in increased energy costs because the cost of capital increased more than the fuel cost decreased. While the three plant types produced comparable energy cost levels, the pressurized fluidized bed boiler plant produced the lowest energy cost by the small margin of 0.69 mills/MJ (2.5 mills/kWh). It is recommended that this plant be designed in greater detail to determine its cost and performance more accurately than was possible in a broad parametric study and to ascertain problem areas which will require development effort. Also considered are pollution control measures such as scrubbers and separates for particulate emissions from stack gases.

Wolfe, R. W.↗
NASA NTRS1979

Optimization of space manufacturing systems

Four separate analyses are detailed: transportation to low earth orbit, orbit-to-orbit optimization, parametric analysis of SPS logistics based on earth and lunar source locations, and an overall program option optimization implemented with linear programming. It is found that smaller vehicles are favored for earth launch, with the current Space Shuttle being right at optimum payload size. Fully reusable launch vehicles represent a savings of 50% over the Space Shuttle; increased reliability with less maintenance could further double the savings. An optimization of orbit-to-orbit propulsion systems using lunar oxygen for propellants shows that ion propulsion is preferable by a 3:1 cost margin over a mass driver reaction engine at optimum values; however, ion engines cannot yet operate in the lower exhaust velocity range where the optimum lies, and total program costs between the two systems are ambiguous. Heavier payloads favor the use of a MDRE. A parametric model of a space manufacturing facility is proposed, and used to analyze recurring costs, total costs, and net present value discounted cash flows. Parameters studied include productivity, effects of discounting, materials source tradeoffs, economic viability of closed-cycle habitats, and effects of varying degrees of nonterrestrial SPS materials needed from earth. Finally, candidate optimal scenarios are chosen, and implemented in a linear program with external constraints in order to arrive at an optimum blend of SPS production strategies in order to maximize returns.

Akin, D. L.↗
NASA NTRS1991

Conceptual studies on the integration of a nuclear reactor system to a manned rover for Mars missions

Multiyear civilian manned missions to explore the surface of Mars are thought by NASA to be possible early in the next century. Expeditions to Mars, as well as permanent bases, are envisioned to require enhanced piloted vehicles to conduct science and exploration activities. Piloted rovers, with 30 kWe user net power (for drilling, sampling and sample analysis, onboard computer and computer instrumentation, vehicle thermal management, and astronaut life support systems) in addition to mobility are being considered. The rover design, for this study, included a four car train type vehicle complete with a hybrid solar photovoltaic/regenerative fuel cell auxiliary power system (APS). This system was designed to power the primary control vehicle. The APS supplies life support power for four astronauts and a limited degree of mobility allowing the primary control vehicle to limp back to either a permanent base or an accent vehicle. The results showed that the APS described above, with a mass of 667 kg, was sufficient to provide live support power and a top speed of five km/h for 6 hours per day. It was also seen that the factors that had the largest effect on the APS mass were the life support power, the number of astronauts, and the PV cell efficiency. The topics covered include: (1) power system options; (2) rover layout and design; (3) parametric analysis of total mass and power requirements for a manned Mars rover; (4) radiation shield design; and (5) energy conversion systems.

El-Genk, Mohamed S.↗
NASA NTRSDate not supplied

Parametric Studies of Human Mars Entry, Descent, and Landing Systems

This paper will present a parametric analysis for entry, descent, and landing (EDL) concepts, enabling rapid systems assessment and tradespace exploration. The entry system uses a hypersonic inflatable aerodynamic decelerator (HIAD) technology. The baseline system includes elements for Mars aerocapture (AC) and EDL segments of the mission. The mission concept of operations (ConOps) begins at Mars arrival in a polar inclination. After performing an aerocapture (AC) maneuver into a pre-defined Mars parking orbit, the AC HIAD is jettisoned. The rest of thevehicle stays in the parking orbit for up to one year. The EDL sequence starts with a deorbit burn at the apoapsis of the parking orbit. After hypersonic entry with the EDL HIAD, the entry system uses a supersonic retropropulsion maneuver to slow the vehicle for the descent and landing segments of the mission. The vehicle will maintain a constant velocity of 2.5 m/s for 5 seconds prior to landing.The system includes a Mars Ascent Vehicle (MAV), Mars Descent Module (MDM), and two HIADs. The MDM includes a primary structure, tanks, engines, and radiators. The primary structure is an aluminum-lithium (Al-Li)cruciform design similar to the structural design of the Apollo Lunar Module. The cruciform planform layout results in four outer bays, with adequate volume in the corners between outer bays to package four landing gears. The central bay is reserved for packaging the MAV and the recessed MAV engines. Two of the outer bays accommodate main propellant tanks, with one LOX and one CH4 tank in each bay. The two remaining outer bays each house four rocket engine systems and associated support structure. Each HIAD comprises an inflatable structure, flexible thermal protection system, gas, and gas generators. The HIAD design used in this study is a stacked-toroid concept with pairing loop straps and radial/chevron straps. The baseline system lands a 20-t payload on the Mars surface. It is assumed the vehicle arrives at 6.2 km/s relative velocity at 90° inclination and is captured to a 1-Sol parking orbit.The baseline design includes many assumptions such as margins, arrival state, ConOps options, parking orbit, physical dimensions, propellant options, and technology concepts. The impact of these parameters are quantified through systems-level sensitivity analyses, which capture the global impact—not at a component level—but at the systems level. The systems-level sensitivities expose major design drivers and importance of each assumption for a design.Through tradespace exploration, a wide range of systems parameters are examined and compared for several feasible design options. Studies have been completed for the following input parameters: payload mass, propellant options, AC/EDL ballistic coefficient, lander thrust to weight ratio (T/W) (surrogate for the maximum EDL g’s),engine specific impulse (Isp), parking orbit, and inclination.The final paper will present and discuss the parametric approach used in the study. It will also include the results of recent systems analyses, sensitivity analyses, and tradespace exploration

Jamshid Samareh↗
DOE OSTI2021

A simplified integrated framework for predicting the economic impacts of feedstock variations in a catalytic fast pyrolysis conversion process

Feedstock attributes of lignocellulosic biomass, such as particle size, compositional makeup, and moisture content, can vary substantially even within pre-processed materials and have a significant effect on conversion in fast pyrolysis-based processes. However, the economic impacts of these attributes are not well understood. To address this, biomass deconstruction phenomena captured with a versatile particle-scale simulation were linked to techno-economic impacts via reduced-order models. Parametric analysis of the particle-scale model, which was validated using literature data, was used in combination with multiple linear regression models to develop correlations between feedstock attributes and yields of pyrolysis oil, gas, and char. Yields were then correlated with the minimum fuel selling price (MFSP) using a techno-economic model, bridging the gap between physics-based biomass conversion simulations and predictions of MFSP for a catalytic fast-pyrolysis process. Empirical correlations derived from the literature regarding the impact of mineral matter (ash) on oil yield were also considered. The model correlations deployed in the integrated framework capture the impacts of variation in feedstock attributes on the MFSP. Variations in ash were shown to have the biggest impact, varying MFSP by -13%/+22% due to catalytic effects and lower relative amounts of convertible lignocellulosic material. It was also found that, if ash can be controlled to low levels, the increased extractives in forest residues can help compensate for some yield losses associated with increased ash. As a result, other inputs considered (particle size, moisture content, and reactor temperature) had relatively negligible effects on process economics within the ranges analyzed considering particle-scale effects alone.

BIOMASS FUELS↗
DOE OSTI2022

Combining Simulation and Optimization to Derive Operating Policies for a Concentrating Solar Power Plant

Optimizing short-term decisions over a rolling horizon and/or using deterministic penalties to capture system stochasticity can lead to myopic policies that fail to consider unplanned events and their long-term adverse effects. We present a methodology that integrates an off-line optimization model with a simulation procedure to determine the profitability of different operating strategies; specifically, the latter is used to generate additional constraints for the former when failures occur according to system component operating lifetimes that (i) are subject to exogenous uncertainty, and (ii) may degrade more quickly under specific operating conditions. We use the feedback provided by the simulation model in a parametric analysis to obtain penalties that can be used in short-term operations scheduling to maximize the long-term revenues obtained by the optimization model. We apply this research to a concentrating solar power plant; our results show that the methodology can be used to choose an operating policy that balances maximizing profit while accounting for maintenance costs. Integrating the optimization model with a simulation procedure reveals that aggressive prices for cycling yield about 55% fewer startups and 30% fewer failures compared to using a more typical start-up operating strategy, and can save hundreds of thousands to millions of dollars in repair costs over the lifetime of the plant.

concentrating solar power↗
DOE OSTI2022

Stochastic Model for High Temperature Oxidation of Cr–Ni Austenitic Steels Assisted by Spallation

Abstract Cr–Ni austenitic steels offer significant high temperature corrosion protection by forming a surface oxide layer. However, above critical service conditions (temperature, atmosphere, thermal cycling), oxidized surface can experience intensive degradation because of scale spallation, which could be detrimental to the in-service life. To predict the effect of scale spallation on oxidation kinetics, a simulation was implemented using a stochastic model. The model considers topological parameters and intensity of spallation which can occur, while delivering a true oxidation constant. The experimental procedure identified the amount of formed spalled scale and topology of spallation based on the use of element mapping of the surface. This information was used to determine a true kinetic constant for a corresponding spallation intensity in oxidized Cr–Ni austenitic steel. To illustrate the capability of the stochastic model, a parametric analysis was performed. The model verified how the spallation parameters could change the oxidation processes from parabolic growth of an adhered oxide layer without spallation to a mixed linear-parabolic, or with a constant thickness of residual scale at high spallation intensity. The spallation model will be used in a separate article to characterize high temperature surface degradation of several Cr–Ni austenitic steels during harsh oxidation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nationwide HVAC Energy-Saving Potential Quantification for Office Buildings with Occupant-Centric Controls in Various Climates

The occupant-centric control (OCC) is receiving an increasing attention due to its ability to reduce building heating ventilation and air-conditioning (HVAC) system energy consumptions while not affecting the occupant thermal comfort. This paper aims to investigate and quantify the nationwide energy-saving potential of implementing the occupant-centric HVAC controls in typical office buildings using a whole building simulation software EnergyPlus. First, the medium office and large office from the Department of Energy (DOE) Commercial Prototype Building Models (CBPM) were enhanced to have detailed layouts and dynamic occupancy schedules. Then, a comprehensive simulation plan was created by incorporating the multiple zone-level and system-level occupant-centric building HVAC controls recommended by the updated ASHRAE Standard 90.1 – 2019 and ASHRAE Guideline 36 – 2018. Three control scenarios with different occupancy sensing methods were identified in this simulation plan. A nation-wide parametric analysis which includes two building types, three occupancy sensing scenarios, two building code versions, and 16 U.S. climate zones was carried out. The simulation results of the key control variables and HVAC energy consumption suggest that generally, both the occupancy presence sensor and occupant counting sensor could achieve energy savings for the office buildings in majority of the scenarios. However, compared with the occupancy presence sensor, which could support both the temperature setpoint reset and operational breathing zone airflow rate reset for the unoccupied zones, the occupant counting sensor only brings a marginal benefit. Besides, a higher HVAC energy-saving ratio could be achieved in the heating-dominated zone, since the energy reduction brought with the minimum outdoor airflow rate reset is stronger in the heating mode.

Pang, Zhihong↗
DOE OSTI2021

Chemical looping air separation with Sr 0.8 Ca0.2Fe 0.9 Co 0.1 O 3-δ perovskite sorbent: Packed bed modeling, verification, and optimization

Chemical looping air separation (CLAS) represents a promising approach for efficient O 2 production from the air. This present study aims at optimizing the absorber/desorber operations and the separation process with extensive experimental validation. Specifically, a one-dimensional packed bed model was developed to investigate the CLAS operation with a Sr 0.8 Ca 0.2 Fe 0.9 Co 0.1 O 3-δ perovskite sorbent. The redox thermodynamics of perovskite sorbent was measured by TGA and then incorporated into a linear driving force model to describe the O 2 absorption and desorption rates. Both 4-step and 5-step air separation cycle configurations, with various cyclic structures, were performed in a subpilot-scale packed bed. The model predicted O2 purity and productivity were consistent with experimental results, supporting its accuracy and applicability. Parametric analysis and multi-objective optimization were further carried out to assess the performance of CLAS. Both O 2 purity and recovery increased monotonically with the cycle time, airflow rate, steam flow rate, and absorption pressure. Meanwhile, optimal O 2 productivity and power consumption can only be achieved by specific combinations of these parameters. The optimized results showed that CLAS can be highly competitive when compared to conventional pressure swing adsorption (PSA) or cryogenic distillation. The 5-step cycle configuration achieved a minimum power consumption of 118 kW·h for producing 1 ton O 2 with ≥ 95% purity. The maximum O 2 productivity reached 0.0932 g O2 /(g sorbent ·h) with 390 kW·h/ton O 2 of energy consumption (95% pure). The optimization results also indicate that CLAS can potentially be more efficient than cryogenic distillation even when the required O 2 purity is above 99%.

42 ENGINEERING↗
DOE OSTI2025

Engineering design of a kW-scale continuous reactor-heat exchanger for high temperature discharge of particle-based thermochemical energy storage

This study investigates the theoretical design parameters and thermal performance of a kW-scale continuous oxidation reactor for high temperature (~1000 °C) thermochemical energy storage (TCES) applications. The concept comprises a counter-current particle-based system that includes a reaction zone with a heat exchanger to extract the heat produced from the oxidation reaction. Both above and below the hot reactive volume are sensible heat recuperation zones to enable the feed and removal of particles and oxidizing gas near ambient temperature during steady state operation. Two operation types for the reaction zone are studied, a fluidized bed reactor (FBR) and a moving bed reactor (MBR). The results of the parametric analysis suggest that the MBR requires a smaller volume per kW of heat produced, achieving power densities in excess of 2500 kW/m3 compared to ~ 900 kW/m 3 in the FBR. Additionally, the MBR achieves between 0.71 and 0.99 oxidation conversions compared to between 0.23 and 0.38 conversions in the FBR with the same volumes and flowrates. However, the FBR has the potential to maintain a uniform reactor temperature which can produce heat transfer fluid (HTF) outlet temperatures as high as the reactor temperature, i.e., ~1000 °C, whereas the MBR produces variable reactor temperatures that can create overheating zones and low HTF outlet temperatures (< 800 °C) depending on the operating conditions selected. Future work should aim at understanding the coupled fluid dynamics, heat and mass transfer, and thermochemical reaction for any given combination of reactor volume and contacting patterns. Here, these studies should be complemented by experimental work on particle-gas TCES reactors.

25 ENERGY STORAGE↗
DOE OSTI2021

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗
DOE OSTI2023

Dissolved gas recovery from water using a sidestream hollow-fiber membrane module: First principles model synthesis and steady-state validation

This paper presents a first-principles model for the recovery of dissolved gases from liquids using a sidestream hollow-fiber membrane module. The model avoids the use of new empirical coefficients, thus providing a parametric understanding of the process behavior for future design and optimization of membrane modules. This type of first-principles model could be particularly useful when gas recovery is beneficial to biological or chemical reactions of interest, such as the acetogenesis reactions in two-stage anaerobic digesters. The steady-state behavior of the model was validated against both new experimental data for the recovery of H 2 , CH 4 and H 2 –CH 4 mixtures from pure water, as well as existing published data. The modeled gas recovery predictions agreed with experimental data to an absolute average error of 13%, and an average R value of 0.98. Parametric analysis of mixed-gas recovery suggests possible key transition points in the composition of the recovered gases. For example, at 40 °C, increasing trans-membrane pressure while keeping hydraulic residence time (HRT) under 0.5 s will result in an increase in the ratio of H 2 to CH 4 recovered. Otherwise, increasing trans-membrane pressure will instead decrease the ratio of H 2 to CH 4 recovered. The model has potential to be extended to transient analysis, but has yet to be validated with transient experimental data. Furthermore, this model was successfully implemented in both Python and MATLAB, and provides valuable insights for future net-energy optimization for anaerobic digestion systems with in-situ gas recovery.

Anaerobic Digestion↗
DOE OSTI2020

Climate change will affect global water availability through compounding changes in seasonal precipitation and evaporation

Both seasonal and annual mean precipitation and evaporation influence patterns of water availability impacting society and ecosystems. Existing global climate studies rarely consider such patterns from non-parametric statistical standpoint. Here, we employ a non-parametric analysis framework to analyze seasonal hydroclimatic regimes by classifying global land regions into nine regimes using late 20th century precipitation means and seasonality. These regimes are used to assess implications for water availability due to concomitant changes in mean and seasonal precipitation and evaporation changes using CMIP5 model future climate projections. Out of 9 regimes, 4 show increased precipitation variation, while 5 show decreased evaporation variation coupled with increasing mean precipitation and evaporation. Increases in projected seasonal precipitation variation in already highly variable precipitation regimes gives rise to a pattern of “seasonally variable regimes becoming more variable”. Regimes with low seasonality in precipitation, instead, experience increased wet season precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Pit rim decomposition into multiple quantum dots on surfaces of epitaxial thin films grown on pit-patterned substrates

Here, we report results of dynamical simulations according to an experimentally validated surface morphological evolution model on the formation of regular arrays of quantum dot molecules (QDMs) consisting of 1D arrays of smaller interacting quantum dots (QDs). These QD arrays form along the sides of each pit rim on the surface of a coherently strained thin film epitaxially deposited on a semiconductor substrate, the surface of which consists of a periodic pattern of inverted prismatic pits with rectangular pit openings. We find that this complex QDM pattern results from the decomposition of the pit rim from a “quantum fortress” with four elongated QDs into four 1D arrays of multiple smaller QDs arranged along each side of the pit rim. Systematic parametric analysis indicates that varying the pit opening dimensions and the pit wall inclination directly impacts the number of QDs in the resulting QDM pattern, while varying the pit depth only affects the dimensions of the QDs in the nanostructure pattern. Therefore, the number, arrangement, and sizes of QDs in the resulting pattern of QDMs on the film surface can be engineered precisely by proper tuning of the pit design parameters. Our simulation results are supported by predictions of morphological stability analysis, which explains the pit rim decomposition into multiple QDs as the outcome of a tip-splitting instability and provides a fundamental characterization of the post-instability nanostructure pattern. Our theoretical findings can play a vital role in designing optimal semiconductor surface patterns toward enabling future nanofabrication technologies.

36 MATERIALS SCIENCE↗