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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evaluation of Phase Change Plaster/Paste Composites for Building Envelopes

Thermal energy storage (TES) materials increase a building’s thermal mass and provide the flexibility to shave and time-shift energy use. These materials are needed to enable grid-interactive efficient buildings, allowing building occupants to lower costs by leveraging free ambient heating/cooling as well as shifting consumption to cheaper electricity periods. Phase change materials (PCMs) that store heat through a solid-liquid/solid-solid transformation are of particular interest for TES because of their ability to store large amounts of energy across a constant temperature or very small temperature range. Furthermore, previous studies on PCM building envelopes evaluated products that may only be incorporated as part of new construction and are not easily applicable to existing, energy-intensive buildings. In this work, we leverage laboratory PCM characterization and whole-building energy simulation to study the energy and cost savings of PCM plaster/paste coatings, which can be applied post construction to both new builds and retrofits of existing buildings (about 40% of residential buildings in the United States fall into the retrofit category). We evaluated the energy impact of PCM plaster/paste composites for a single-family residential building in the United States, including layer design (location and thickness), composite properties (phase change temperature, energy density, and shape of the enthalpy curve), and U.S. climate zone. The enthalpy curve shape of PCM shows that phase change temperature and energy density are not the only two parameters that must be considered for PCM selection. Maximizing the energy density amid the effective TES zone is key to boosting energy savings. We also studied PCM price targets with the aim of achieving reasonable payback periods based on both block and time-of-use electricity rates. Moreover, we developed an empirical equation to provide a rough estimate of the energy savings potential of incorporating PCM without the need to perform detailed simulations. These results will help guide the selection and design of PCM plaster/paste composite elements for residential building envelopes.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2026

Seasonal performance evaluation of zero-superheat active refrigerant charge control for variable-speed heat pumps

Heat pumps account for a significant portion of electricity consumption in buildings, making their energy efficiency a critical area of research. Control optimization is recognized as an effective approach for enhancing the efficiency of building HVAC systems. Specifically, since the efficiency of heat pumps increases with reduced superheat and the optimal refrigerant charge level varies with operating conditions, zero-superheat active charge control is a promising strategy to maximize the system’s COP. However, due to its complexity, this control strategy remains in the research phase and has only been tested under limited operating conditions. This paper proposes a methodology to evaluate the seasonal performance improvement of zero-superheat active charge control across a full range of heating conditions in buildings. The methodology includes the development of an optimal controller that utilizes an accumulator to store excess refrigerant and manages the active charge level at zero superheat through subcooling control, as well as the creation of a detailed physics-based heat pump model. Targeted a 3-ton variable-speed heat pump with R410A refrigerant, we selected ten U.S. cities representing different climate regions for seasonal performance evaluation. Our simulations indicate that, depending on the climate conditions, the optimal control strategy could achieve energy savings ranging from 5.8 % to 8.0 % over the entire heating season. These results suggest that zero-superheat active charge control, combined with coordinated compressor and fan speeds, could substantially improve the energy efficiency of heat pump systems while maintaining the required heating capacity.

Guo, Fangzhou↗
DOE OSTI2026

Evaluating the Impacts of Coordination for Cascaded Hydropower Plants on the Mid-Columbia

The Mid-Columbia region in the U.S. Pacific Northwest includes seven large, cascaded hydropower plants with a combined nameplate capacity of nearly 14 GW. These plants have several different operators, and there is currently limited coordination among the operators. We develop a detailed model of the Mid-Columbia system that captures both river flow constraints and power system operations. We then place this detailed model within a production cost model of a 2030 system of the Western Interconnection to evaluate how coordination of the Mid-Columbia hydropower plants might impact operations throughout the interconnection. We find that coordination of the Mid-Columbia plants leads to more generation from the Mid-Columbia plants and increased revenues for the Mid-Columbia operators. This benefit is achieved primarily through better utilization of the storage reservoirs and decreased spill through the cascade. We also evaluate the impacts of look-ahead on production costs and find that longer look-ahead values result in lower system-wide production costs.

13 HYDRO ENERGY↗
DOE OSTI2025

A Comprehensive Chemistry Evaluation and Diagnostics Package for E3SM – ChemDyg Version 1.1.0

The Chemistry Evaluation and Diagnostics Package (ChemDyg) is an open-source tool designed for the Energy Exascale Earth System Model (E3SM) developed by the U.S. Department of Energy. ChemDyg facilitates routine evaluation, tailored development, and in-depth analysis of atmospheric chemistry through its modular architecture, allowing users to compare model outputs with observational data. Version 1.1.0 introduces a robust set of diagnostic capabilities, including climatology, time evolution of key tracers, diurnal and annual cycle analyses, and extensive budget diagnostics. These features help identify model discrepancies and enhance the representation of atmospheric chemistry in E3SM. Each self-contained diagnostic set includes dedicated scripts and documentation for ease of use. The interactive HTML output improves data accessibility, accelerating chemistry model development. Additionally, ChemDyg's flexible framework allows for customization, enabling users to create unique diagnostic sets for specific scientific contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Comparative Evaluation of Microwave and Conventional Gasification of Different Coal Types: Experimental Reaction Studies

Here, effects of gasifier conditions (microwave or conventional) on the gasification characteristics of four different types of coal are evaluated by analysis of gaseous species generated during pyrolysis and gasification reactions. Four different coal samples are tested: a lignite (Mississippi), a low-ash subbituminous (Wyodak), a high-ash subbituminous (Usibelli), and a low volatile bituminous (Pocahontas #3). Gas composition, overall yields, carbon conversion efficiency, and cold gas efficiency are evaluated to compare gasification reactivity of the different coal types under microwave and conventional heating. During microwave pyrolysis (Ar atmosphere), greater selectivity of syngas species (H2 + CO) and greater overall non-condensable gas yields are observed, compared to conventional pyrolysis for all coals tested. The high yield of syngas during microwave pyrolysis is attributed to primary pyrolysis gases subsequently gasifying the char of the same sample to produce greater amounts of H2 and CO. During microwave gasification (CO2 atmosphere), selective heating and formation of hotspots within the coal enable the reverse Boudouard reaction to occur at a low bulk gasification temperature of 700 °C, which is less favorable under thermal gasification at this temperature. Yields of syngas are much higher under microwave gasification of all coals. Carbon conversion is found to have a linear correlation with volatile matter of the parent coal. Carbon conversion and cold gas efficiency are highest for coals gasified under microwave irradiation, and gasification reactivity of the four coals was determined to be dependent on the coal type.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Comparative Evaluation of Control-Oriented Heavy Duty Vehicle Air Drag Coefficient Models

Heavy-duty vehicles (HDVs) are a significant source of fuel consumption and greenhouse gas emissions, prompting solutions such as HDV platooning to mitigate these negative impacts through air drag reduction. The intervehicle distance in an HDV platoon needs to be carefully selected, such that the platoon-level energy efficiency and safety considerations can be well balanced. Underlying this problem lies in accurately modeling the relationship between HDV air drag coefficient and intervehicle distance. Through comprehensive evaluation and comparison, we analyze five control-oriented HDV air drag coefficient models, including the polynomial model, rational polynomial model, rational model, semi-quadratic model, and ridge model. Leveraging Scipy Curve-Fit toolbox and our previously compiled air drag coefficient datasets, we optimally identify the parameters inside each model. The calibrated models are then thoroughly evaluated via five complementary metrics. The comparison results reveal that the semi-quadratic model has the highest overall performance, while the widely adopted rational model only exhibits suboptimal performance.

Best, Micah↗
DOE OSTI2021

Experimental workflow to estimate model parameters for evaluating long term viscoelastic response of CO2 storage caprocks

Understanding the time-dependent behavior of reservoir and sealing formations is critical to assessing risks associated with geological carbon storage since time-dependent deformation strongly influences mechanical responses of some rock types. Many studies have evaluated the risk of CO2 leakage and induced seismicity by assuming poroelastic rheology in sealing formations. Few have considered viscoelastic or other time-dependent responses, where the existing literature adopts 1D models to represent long-term time-dependent responses. This is primarily because to date, the general form of a reasonable 3D time-dependent model for rocks remains unclear. In this paper, we address this unclear issue by proposing a new workflow to select constitutive modeling parameters to evaluate if a 3D viscoelastic model is reasonable using several-hour-long experimental data and a power-law response to extrapolate to the decades-long time frames of interest in geologic carbon storage. To provide experimental data, we conducted multi-level loading/unloading triaxial relaxation tests with four rock types. The experimental results showed that the maximum load relaxation observed is approximately 49%, with some rock types showing as little as 1.4%. Using a simple linear viscoelastic model, parameters were chosen such that a maximum deviation of 1.5 MPa in axial stress and 7 MPa in radial stress was attained with the extrapolated 30-year data. We found that a reasonable parameter range for the normalized elastic modulus is 0.1~2 for rocks with significant time-dependent responses and 0.01~0.06 for those with small time-dependent responses. No matter how significant time-dependent responses are for rocks considered, our results showed that the relaxation time has a general range of 1~10^10 s, whose time scale can be one or two orders higher than a time frame typically envisioned for CO2 injection projects.

Stress relaxation, 3D time-dependent model, viscoe↗
DOE OSTI2024

A new approach to the evaluation and solution of the relativistic kinetic dispersion relation and verification with continuum kinetic simulation

Here, the present work describes a new approach to evaluation and root finding for the kinetic dispersion relation of Langmuir waves, which is central to the analytical understanding of collisionless damping in plasmas. The plasma dispersion function is solved to machine precision using direct integration in the complex plane in combination with an analytic evaluation of the residue to account for the deformation along the Landau contour. To efficiently attain machine precision, the contour is displaced in the complex plane prior to integration, and numerical subtleties related to the placement of the contour are discussed. The approach is generic in that it applies to arbitrary distribution functions, with the present manuscript focused on relativistic cases. Detailed verification of results via direct kinetic simulation in a variety of configuration space dimensions is also presented. Finally, the technique is applied to the challenging case of highly relativistic (i.e. extremely hot) plasmas. Here we show both qualitative agreement with prior work, as well as the disappearance of the Landau root which would have significant implication for real-life observation or experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Evaluation of the economic implications of varied pressure drawdown strategies generated using a real-time, rapid predictive, multi-fidelity model for unconventional oil and gas wells

Experience has suggested that pressure maintenance in hydraulically fractured reservoirs via lower, more sustained production drawdowns may offer improved cumulative recovery and overall resource extraction efficiency compared to more rapid drawdown approaches aimed at generating high initial production. However, given the inherent variability of oil and natural gas markets, operators pursue production strategies that maximize profitability over resource extraction efficiency. This study focuses on evaluating the implications of contrasting pressure drawdown strategies on the long-term production and resulting economics for a real, producing unconventional gas well in the Marcellus Shale of the Appalachian Basin using a techno-economic analysis approach. Our research combines elements of well-specific horizontal well design, production forecasting, equipment sizing and capital cost estimation, operating cost estimation, and revenue and tax calculations. Gas production forecast outlook scenarios were generated under varying pressure drawdowns using two approaches: 1) a novel physics-informed machine learning workflow and 2) traditional reservoir simulation. A discounted cash flow model was used to evaluate the resulting economic implications for each drawdown scenario—generating output for exploring the coupled effect of factors like the timing and volume of gas production, prevailing economic and market conditions for natural gas, and overall estimated ultimate recovery on profitability metrics such as internal rate of return and net present value. Results show that there is potential to maximize the cumulative gas produced in the specific case study well by employing a lower pressure drawdown. Conversely, the greatest profitability is achieved using rapid drawdown as signified by a small, specific subset of our outlook scenarios. On an averaging basis, we find that the combinations of highest cumulative producing and most profitable scenarios occur under lower drawdowns with long (>40 years) producing timeframes, but require higher relative gas price and lower discounting considerations. Further, the machine learning predictive outlooking capability proved effective for enabling rapid generation of a multitude of scenario forecasts. As a result, a variety of prominent example cases could be generated to strike the balance of greater productivity and economic return given their associated producing features and economic conditions when compared to similar producing scenarios—critical insight that offers improved decision support for unconventional oil and gas operations.

42 ENGINEERING↗
DOE OSTI2023

Using SWMM for emergency response planning: A case study evaluating biological agent transport under various rainfall scenarios and urban surfaces

To assist in emergency preparedness for a biological agent terrorist attack or accidental pathogen release, potential contaminant levels and migration pathways of spores spread by urban stormwater were evaluated using a Storm Water Management Model (SWMM) of U.S. Coast Guard Base Elizabeth City, North Carolina. The high temporal-spatial resolution SWMM model was built using spore concentrations in stormwater runoff from asphalt, grass, and concrete collected from a point-scale field study. The subsequent modeled contamination scenarios included a notional plume release and point releases mimicking the field study under three rainfall conditions. The rainfall scenarios included a 6-hour natural rainfall event on Dec. 8, 2021 and two design storms (2-year and 100-year events). The observed spore concentrations from asphalt and concrete from the actual field experiment were applied to calibrate the washoff parameters in the SWMM model, using an exponential washoff function. The calibrated washoff coefficient (c 1 ) and exponent (c 2 ) were 0.01 and 1.00 for asphalt, 0.05 and 1.45 for grass, and 2.45 and 1.00 for concrete, respectively. The calibrated SWMM model simulated spore concentrations in runoff at times and magnitudes similar to the field study data. In the point release modeled scenario, the concrete surface generated 55.6% higher average spore concentrations than asphalt. Similarly, in the field experiment, a 175% (p < 0.05) higher average spore concentration in surface runoff was observed from concrete than from asphalt. Here, this study demonstrates how SWMM may be used to evaluate spore washoff from urban surfaces under different precipitation amounts, intensities, and durations, and how visualized spatial migration pathways in stormwater runoff may be used for emergency planning and remediation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Evaluation of Subseasonal-to-Seasonal (S2S) precipitation forecast from the North American Multi-Model ensemble phase II (NMME-2) over the contiguous U.S.

The second phase of the North America Multi-Model Ensemble (NMME-2) provides globally available Subseasonal-to-Seasonal (S2S) precipitation forecasts with a daily resolution. The S2S precipitation forecasts are getting increasing attention for their potentials in providing hydrometeorological forcing information for water resources planning at an extended range. However, the forecast skills of many existing S2S forecast products will significantly decrease when the lead time increases, hindering their applicability for watershed-scale hydrologic modeling. Therefore, forecast validation and large-scale evaluation are of great importance for water resources planning and hydrological applications. In this study, we comprehensively evaluate the S2S precipitation forecasts from the NMME-2 dataset over the contiguous United States (CONUS) and during the study period from 1982 to 2011. Three aspects of precipitation forecast capabilities are compared and analyzed: bias, skill scores, and the ability to predict extreme precipitation events. The Parameter-elevation Regressions on Independent Slopes Model (PRISM) is used as ground truth reference. Differs from other regional forecast validation study, we further examined and analyzed the dependences of NMME-2 precipitation forecast skills according to different seasonality, geographical locations, and lead times. Results show that the forecast biases are not sensitive to lead times but are seasonally dependent of all NMME-2 models. Overestimations are found in the Western U.S. in cooler seasons while underestimations are observed in the central regions of the U.S. in warmer seasons. The forecast skill of all individual NMME-2 models generally decreases as increases of lead times. The simple model averaging (SMA) of five NMME-2 models demonstrates a higher forecast skill than any individual NMME-2 models. Spatially, the highest forecast skill scores are observed at coastal areas in the Western U.S. with an one-week lead time. As compared to the historical resampled forecasts, NMME-2 also shows better performance in predicting extreme precipitation events above 99% percentiles and below 1% percentiles with higher probability of detections and lower false alarm ratios. Finally, the obtained results suggest the great potentials of NMME-2 precipitation forecasts in assisting ensemble hydrologic forecasts at the S2S scale over the CONUS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Numerical evaluation of photosensitive tracers as a strategy for separating surface and subsurface transient storage in streams

For this work, we numerically evaluated photosensitive tracers as a potential strategy for separating the effects of surface and hyporheic storage zones (SSZs and HSZs, respectively) on stream corridor transport. Correctly separating HSZ and SSZ effects is critical to estimating the hydro-biogeochemical function of a stream because HSZs and SSZs expose solutes to significantly different biogeochemical conditions, like sunlight exposure, microbial processes, and oxygen availability. Our numerical experiments used a multiscale river-corridor transport model implemented in the ATS code, which accommodates multiple storage zones with distinct travel time distributions and biogeochemical reactions. For parameter inferences, we used Bayesian inverse modeling. We found that breakthrough curves for photo-decaying tracers from day and night injection can delineate surface and hyporheic transient storage contributions, but only when interpreted jointly through a two-storage zone model. Numerical experiments that used only daytime injection or interpreted breakthrough curves with a single storage zone model yielded good fit to breakthrough curves, but parameter estimates were biased and controlling processes misattributed, examples of good model fits for the wrong reasons. Using those biased parameter estimates in reactive transport simulations resulted in significantly different projections of denitrification, which underscores the potential for stream function to be mischaracterized if tracer tests are interpreted through an inappropriately simplified model for transient storage. More generally, this study highlights the role of modeling in evaluating the experimental design and identifying the potential of system mischaracterization and its implications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ultrasonic Elastography for Nondestructive Evaluation of Dissimilar Material Joints

Dissimilar material joints or multilayered metals have become inevitable in the manufacturing industry due to the increasing demand for multifunctional materials with variable mechanical, thermal, or electrical characteristics in a single assembly. Lattice mismatch of materials at the interface of dissimilar materials leads to inferior mechanical characteristics. In particular, the mismatch in elastic properties indicated by a large initial elastic deformation is critical to determine the extent of variation in stress. However, nanoindentation, the most common and accepted technique to measure elastic modulus, is destructive, time-consuming, and can only examine mechanical properties within a limited area. A non-invasive elastographic mapping technique evaluates the mechanical properties using ultrasonic elastography to study incompressibility. The dissimilar joint between steel and copper was obtained via friction stir welding. The variation of the stress developed at the welded joint of the two different metals was evaluated from the dynamic bulk modulus map. A tensile test of the involved workpiece confirmed a good agreement with our analysis based on the dynamic bulk modulus elastographic mapping results. This study provides a rapid and non-invasive technique for the bulk metallurgic elastic modulus inspection to overcome the limitations of conventional methods.

Jin, Yuqi↗
DOE OSTI2022

Methane foam performance evaluation in water-wet unconsolidated porous media: A systematic experimental investigation at elevated pressure and temperature conditions

In the petroleum industry, enhanced oil recovery (EOR) techniques employ foam extensively to establish conformance control in heterogeneous and fractured reservoirs in order to increase the sweep efficiency. In such applications, foam performance evaluation under complex subsurface conditions is pivotal for the effective and optimized deployment of foam treatment. However, there is a scarcity of hydrocarbon gas foam generation and evaluation studies that examine the relationships between foam performance and the critical foam parameters at high-pressure and high-temperature conditions. Here, this study aims at methodically investigating the effects of several foam parameters on methane foam performance in water-wet proppant packs under harsh operating conditions. This is in relation to the technical needs of hydrocarbon foam injection into hydraulically-induced, propped fractures in unconventional oil reservoirs. To this end, a state-of-the-art experimental foam generation apparatus was designed, fabricated, and commissioned. We performed a large number of foam flow experiments on proppant packs using methane gas and different foaming agents at 3500 psi and 115°C. Anionic and amphoteric surfactants were employed to probe the effect of their ionic nature on foam performance. Foam performance sensitivities to various foam generation parameters and operating conditions, such as surfactant concentration, gas fraction, total injection rate, operating pressure, salinity, and proppant pack length were investigated. To this end, steady-state pressure drops across the proppant packs during foam generation and foam's apparent viscosity were measured to quantify the foam performance of surfactants. The results were then analyzed to determine optimum values of the foam parameters and the interplay between these parameters are discussed here. The systematic results achieved from this work are in agreement with the trends available in the literature and provide new insights into complexities of in situ foam generation in water-wet, unconsolidated porous media at extreme reservoir conditions.

03 NATURAL GAS↗
DOE OSTI2024

Evaluation of Sb-Nd and Te-Nd phases within the U-Zr fuel matrix and their interactions with HT9 alloy

Antimony (Sb) and tellurium (Te) were investigated as potential additives for U-10Zr (wt.%) metallic fuel to limit the fuel-cladding chemical interaction (FCCI) with HT-9 alloy. Neodymium (Nd) was utilized to simulate the formation of lanthanide-based solid fission products which are known to play a detrimental role in FCCI. Fuel alloys of U-Zr-Sb-Nd and U-Zr-Te-Nd were evaluated in their annealed condition and compared against their as-cast conditions. Isothermal diffusion couple experiments were performed between U-Zr-Nd, U-Zr-Sb-Nd, and U-Zr-Te-Nd against the cladding alloy HT9 to evaluate the effectiveness of the additives to stabilize Nd within the fuel alloys, as well as investigate the interaction regions that form between the different fuel alloys and HT9. Further, SbNd and Sb 3 Nd 4 , and TeNd are found to be the primary neodymium-based phases formed in the U-Zr-Sb-Nd and U-Zr-Te-Nd alloys, respectively. The zirconium-based phase, Zr 2 Sb, is also found to form within the former alloy. All phases were found to remain stable through the diffusion experiments and exhibited no interaction with HT9 constituent elements. Preferential interaction between Nd with additivities Te and Sb compared to constituting elements in HT9 was further verified based on density functional theory (DFT) calculated enthalpy of mixing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Evaluation of thermostat location for multizone commercial building performance

In multi-zone buildings, it is often found that a single shared thermostat controls more than one conditioned zones. Although these shared zones are supposed to have similar thermal needs (e.g., cooling and heating load), in reality, they are not mainly due to different orientations, sizes of windows, occupancy, space types, etc. This can cause unnecessary energy waste or thermal discomfort for the occupants. How to quantify this impact in multizone buildings remains a research gap. Therefore, this study aims to evaluate the impact of different sensor (i.e., thermostat) locations for multizone commercial buildings through a comprehensive modeling study. Here, two different scenarios for the sensor locations were selected to evaluate the impact in terms of energy and thermal comfort. The scenario (1) is that one to five sensors distributed among the five zones, but the sensor readings from selected zones will be used for no-sensor zones, which is no-mean sensor scenario. The scenario (2) is that one to five sensors distributed among the five zones, but the average temperature from the shared zones will be used for each of the shared zones, which is a mean sensor scenario. The uncertainty analysis was performed for different sensor location scenarios.(a)The major findings from an energy perspective, for scenario (1), the differences of cooling energy go as high as 17% more or 12% less, compared with the baseline. For heating energy consumption, the discrepancies go as high as 51% more or 52% less, compared with baseline. For site energy consumption, the discrepancies go as high as 3.2% more or 3.2% less, compared with baseline. For fan energy consumption, the discrepancies go as high as 3.2% more or as low as 1.0% less, compared with baseline. For scenario (2), the discrepancies of cooling energy go as high as 3% more, or 0.5% less, compared with the baseline. For heating energy consumption, the discrepancies, are go as high as 10.1% more or as low as 3.0% less, compared with baseline. For site energy consumption, the discrepancies go as high as 1.3% more or 0.3% less, compared with baseline. For fan energy consumption, the discrepancies go as high as 3.1% more or as low as 1.0% less, compared with baseline.(b) In terms of the indoor thermal comfort, for the no-mean-sensor scenarios, the discrepancies of unmet hours for cooling mode can be as high as 1,200 h, compared with the baseline. The discrepancies of unmet hours for heating mode can be as high as 740 h, compared with the baseline. For the mean-sensor scenarios, the discrepancies of unmet hours for cooling mode can be as high as 750 h, compared with the baseline. The discrepancies of unmet hours for heating mode can be as high as 50 h, compared with the baseline.

42 ENGINEERING↗
DOE OSTI2020

A lightweight method for evaluating in situ workflow efficiency

Performance evaluation is crucial to understanding the behavior of scientific workflows. In this study, we target an emerging type of workflow, called in situ workflows. These workflows tightly couple components such as simulation and analysis to improve overall workflow performance. To understand the tradeoffs of various configurable parameters for coupling these heterogeneous tasks, namely simulation stride, and component placement, separately monitoring each component is insufficient to gain insights into the entire workflow behavior. Through an analysis of the state-of-the-art research, we propose a lightweight metric, derived from a defined in situ step, for assessing resource usage efficiency of an in situ workflow execution. By applying this metric to a synthetic workflow, which is parameterized to emulate behaviors of a molecular dynamics simulation, we explore two possible scenarios (Idle Simulation and Idle Analyzer) for the characterization of in situ workflow execution. In addition to preliminary results from a recently published study [11], we further exploit the proposed metric to evaluate a practical in situ workflow with a real molecular dynamics application, i.e., GROMACS. Here, experimental results show that the in transit placement (analytics on dedicated nodes) sustains a higher frequency for performing in situ analysis compared to the helper-core configuration (analytics co-allocated with simulation).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Quantification and evaluation of strain reduction from small-bubble gas injection in Spallation Neutron Source target vessels

Small-bubble gas injection has been routinely utilized in the operation of Spallation Neutron Source (SNS) mercury targets since 2017 to mitigate cavitation-induced erosion damage to target vessels. Strain measurements of target vessels collected in-situ during initial operation with gas injection were used to study the gas injection effect on the structural response of targets to proton pulses. A significant strain reduction owing to gas injection was found by comparing the strain measurement data during operation with and without gas injection. The research presented here focuses on quantifying strain reductions in SNS targets and evaluating the effect of small-bubble gas injection by comparing different bubbler types and target designs. The strain measurement results show the gas injection significantly reduced strain in SNS target vessels; strain values decreased by 30% to 80% for targets operating with gas injection. Stress and strain responses of SNS targets were simulated to numerically evaluate the gas injection effect. Based on the predicted stresses with and without gas injection, the fatigue lifetimes of SNS jet-flow design target were estimated using fe-safe fatigue analysis software. The simulations show these reductions should improve the fatigue life of target vessels and allow SNS targets to meet their fatigue design goal.

Fatigue life estimation↗