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At least 451 records · Page 25

MODELING A SPENT NUCLEAR FUEL CASK SEISMIC TEST

The US Department of Energy Spent Fuel and Waste Science and Technology (SFWST) program is planning to conduct a series of full-scale shake table tests to simulate hypothetical earthquake conditions and record the response of surrogate spent nuclear fuel (SNF) assemblies in a canister dry storage system mockup. The shake table motions will represent a range of hypothetical earthquake conditions at hypothetical locations in the continental US to generally define the range of mechanical loads that SNF can be expected to experience during extended dry storage periods. The earthquake conditions will represent seismic hazards in the 2,000-to-20,000-year return period range. The test will use instrumented pressurized water reactor fuel assemblies with surrogate mass inside the fuel rods instead of radioactive fuel pellets. Dummy assemblies with similar mass and dimensions to actual fuel assemblies will occupy the rest of the fuel assembly locations in a SNF canister that holds 32 fuel assemblies. The canister will be located inside a mockup vertical concrete cask. Instrumentation will record the motion of the major components of the complex dynamic system, and strain gauges will be used to record the cladding strain at select locations. Preparations for the test require modeling predictions to identify the range of response of the system and to help select specific earthquake cases to be simulated on the shake table from a large set of potential cases. This paper describes the pretest nonlinear finite element modeling efforts that have been completed to date, including cask system level modeling and fuel assembly modeling in LS-DYNA. The cask system level models are critical for anticipating sliding or tipping of an unanchored cask during the test. The fuel assembly model is needed to estimate the range of cladding strain response and fuel assembly structural response to be expected during the test and cladding strain measurements will be key metrics for model validation and the development of modeling best practices after the test is concluded.

Klymyshyn, Nicholas A.↗

Tools to Address Glare and Avian Flux Hazards from Solar Energy Systems

This report describes software tools that can be used to evaluate and mitigate potential glare and avian-flux hazards from photovoltaic and concentrating solar power (CSP) plants. Enhancements to the Solar Glare Hazard Analysis Tool (SGHAT) include new block-space receptor models, integration of PVWatts for energy prediction, and a 3D daily glare visualization feature. Tools and methods to evaluate avian-flux hazards at CSP plants with large heliostat fields are also discussed. Alternative heliostat standby aiming strategies were investigated to reduce the avian-flux hazard and minimize impacts to operational performance. Finally, helicopter flyovers were conducted at the National Solar Thermal Test Facility and at the Ivanpah Solar Electric Generating System to evaluate the alternative heliostat aiming strategies and to provide a basis for model validation. Results showed that the models generally overpredicted the measured results, but they were able to simulate the trends in irradiance values with distance. A heliostat up-aiming strategy is recommended to alleviate both glare and avian-flux hazards, but operational schemes are required to reduce the impact on heliostat slew times and plant performance. Future studies should consider the trade-offs and collective impacts on these three factors of glare, avian-flux hazards, and plant operations and performance.

14 SOLAR ENERGY↗

Modifications to Solar Titan-130 Combustion Systems for Efficient, High Turndown Operation

The project team of Southwest Research Institute® (SwRI®), Solar Turbines Incorporated (Solar), the Electric Power Research Institute (EPRI), the University of California, Irvine (UCI), and the Georgia Institute of Technology (Georgia Tech) investigated methods to allow higher efficiency part-load operation of a Solar Titan 130 gas turbine. The objective was to develop a low-emission combustion system capable of sustaining combustion and avoiding lean blowout during high turndown operation, which would allow the gas turbine to operate as efficiently as possible at part load. Currently, electric utility markets are beginning to experience substantial increases in renewable energy generation. Some of these renewable energy sources have highly variable output in an uncontrolled manner. In order to maintain grid stability, there is a need for power plants to ramp up power to the grid rapidly to make up for drops in renewable generation. This is often termed spinning reserve, but the size of this reserve may need to increase as renewable penetration into the electric utility market increases. Small combined heat and power (CHP) power plants provide a promising option for meeting this spinning reserve requirement. In order to operate in spinning reserve while still meeting the heat requirements for the CHP, the gas turbine needs to operate efficiently at very low loads. Efficient, high turndown operations in this engine are limited by the lean flammability limit of the premixed combustion system. This project sought enhance the lean operability range of the Titan 130 combustor. First, the project team participated in a brainstorming activity and ultimately selected two concepts to explore: fuel augmentation with hydrogen (H2) to improve the stability at lean operating conditions and modifications to the fuel nozzle to improve the emissions performance at lean operating conditions. Analytical and laboratory investigations were accomplished by UCI to investigate the efficacy of H2 addition at improving lean blow out (LBO) limits and the resulting emissions. These investigations used a variety of chemical reactor network (CRN) and CFD models, validated against laboratory data, to model the impact of H 2 and inform the experimental efforts accomplished by SwRI and Solar. Ultimately, both the CRN and CFD models yielded generally good agreement with the experimental data below a particular temperature threshold. Atmospheric tests of a full-scale T130 annular combustor were performed at SwRI facilities in San Antonio, Texas, to investigate the use of H 2 addition. For these tests, the T130 combustion system remained largely unchanged; minor modifications were performed to the fuel ducting to allow for the safe use of H 2 . The test ultimately demonstrated that the addition of H 2 to the fuel mixture significantly increased the AFR ratio at which the combustor could operate. This improvement to the LBO limit should allow for less use of compressor bleed and less throttling needed by the inlet guide vanes (IGV). This in turn could result in more efficient operation of the gas turbine at lower load points. The second modification explored in this work was a direct modification to the T130 injector. The project team hypothesized that modifications to the pilot of the T130 injector could provide lower emissions at high turn-down operations. These modifications were manufactured and explored by the team at Solar. High pressure rig tests, originally slated to occur at SwRI, were ultimately accomplished by Solar to maintain overall project budget and mitigate cost growth attributable to supply chain issues and inflation. The pressurized rig tests ultimately showed that the SwRI Project No. 18.24153 - DE-EE0008415 Page 2 Final Technical Report January 24, 2024 modifications did not significantly alter the performance of the combustion system at the high turn-down conditions; both the modified injectors and the baseline configuration exhibited elevated emissions comparted to the full-load operating condition. A final set of studies performed by EPRI investigated the benefit-cost of flexible CHP as well as a grid interconnection study for the California Independent System Operator (CAISO) grid. These studies considered: traditional CHP with no spinning reserve available for on-demand grid support, 50% flexible CHP where 50% of the machine’s capacity is consumed by on-site baseload operations while providing an additional 50% capacity for on-demand grid support, and 70% flexible CHP where 70% of capacity is consumed on-site by baseload operations and 30% is available for on-demand grid support. In all cases, the analyses showed a benefit-to-cost ratio greater than unity implying a positive net present value for all configurations. However, the traditional CHP showed the most economic benefit. These results are sensitive to several factors, many of which are not fully known and may vary over time. Thus site owners must be convinced that taking up the increased costs and risks from flexible CHP would be worth implementing. As the grid in California and across the country transition to incorporate larger renewable energy generation, flexible CHP can provide much needed operating reserves and dispatchability. Alternative fuel options, such as hydrogen blending and biofuels, may also lower carbon intensities of CHP. Flexible CHP should be examined in the evolving market to understand innovative business models, changes market rules and services, and new technologies.

20 FOSSIL-FUELED POWER PLANTS↗

A Tidal Hydrodynamic Model for Cook Inlet, Alaska, to Support Tidal Energy Resource Characterization

Cook Inlet in Alaska has been identified as a prime site in the U.S. for potential tidal energy development, because of its enormous tidal power potential that accounts for nearly one-third of the national total. As one important step to facilitate tidal energy development, a tidal hydrodynamic model based on the unstructured-grid, finite-volume community ocean model (FVCOM) was developed for Cook Inlet to characterize the tidal stream energy resource. The model has a grid resolution that varies from about 1000 m at the open boundary to 100–300 m inside the Inlet. Extensive model validation was achieved by comparing model predictions with field observations for tidal elevation and velocity at various locations in Cook Inlet. The error statistics confirmed the model performs reasonably well in capturing the tidal dynamics in the system, e.g., R2 > 0.98 for tidal elevation and generally > 0.9 for velocity. Model results suggest that tides in Cook Inlet evolve from progressive waves at the entrance to standing waves at the upper Inlet, and that semi-diurnal tidal constituents are amplified more rapidly than diurnal constituents. The model output was used to identify hotspots that have high energy potential and warrant additional velocity and turbulence measurements such as East Foreland, where averaged power density exceeds 5 kw/m2. Lastly, a tidal energy extraction simulation was conducted for a hypothetical turbine farm configuration at the Forelands cross section to evaluate tidal energy extraction and resulting changes in far-field hydrodynamics.

16 TIDAL AND WAVE POWER↗

TESTING WIND AS AN EXPLANATION FOR THE SPIN PROBLEM IN THE CONTINUUM-FITTING METHOD

The continuum-fitting method is one of the two most advanced methods of determining the black hole spin in accreting X-ray binary systems. There are, however, still some unresolved issues with the underlying disk models. One of these issues manifests as an apparent decrease in spin for increasing source luminosity. Here, we perform a few simple tests to establish whether outflows from the disk close to the inner radius can address this problem. We employ four different parametric models to describe the wind and compare these to the apparent decrease in spin with luminosity measured in the sources LMC X-3 and GRS 1915+105. Wind models in which parameters do not explicitly depend on the accretion rate cannot reproduce the spin measurements. Models with mass accretion rate dependent outflows, however, have spectra that emulate the observed ones. The assumption of a wind thus effectively removes the artifact of spin decrease. This solution is not unique; the same conclusion can be obtained using a truncated inner disk model. To distinguish among the valid models, we will need high-resolution X-ray data and a realistic description of the Comptonization in the wind.

79 ASTRONOMY AND ASTROPHYSICS↗

3-D Modeling off the CFR Engine for the Investigation of Knock on Natural Gas

Engine knock and misfire are barriers to pathways leading to high-efficiency Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by low emissions limits and the wide range of chemical reactivity in pipeline quality NG (65< MN<95). In order to realize diesel-like efficiencies, spark-ignited NG engines must be designed to operate at high BMEP near knock limits over a wide range of fuel reactivity. This requires a deep understanding regarding combustion-engine interactions important in flame propagation and end-gas autoignition. The present work highlights a three-dimensional computational fluid dynamics (CFD) model of the Cooperative Fuel Research (CFR) engine to investigate knock behavior with NG. The CFR engine model is used to investigate fuel-engine interactions that lead to knock with NG, including effects of fuel reactivity, engine operating parameters, and exhaust gas recirculation (EGR). Cylinder wall, piston, valves, and port surface temperatures are estimated with a 1-D Three-Pressure Analysis (TPA) model. Model validation was performed by comparing model predictions with experimental data taken with a CFR engine over varying compression ratio, CA50, EGR fraction and BMEP.

Bestel, Diego↗

Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Interfaces play a pivotal role in dictating the performance and reliability of all-solid-state batteries (ASSBs), where complex electro-chemo-mechanical phenomena at grain boundaries (GBs) and interfaces can lead to degradation and failure. Traditional atomistic simulation methods, such as first-principles calculations and classical molecular dynamics, face limitations in modeling these interfaces due to either high computational cost or insufficient transferability to the diverse atomic environments evolving at interfaces. Machine-learning interatomic potentials (MLIPs) have emerged as a transformative approach, enabling large-scale, high-accuracy simulations of disordered and chemically complex systems by leveraging the predictability of machine learning models trained on first-principles data. Recent applications of MLIPs have demonstrated their ability to capture intricate behaviors at ASSB interfaces, including ion transport, interfacial evolution, and degradation mechanisms, with accuracy and efficiency unattainable by conventional methods. This prospective paper presents comprehensive analysis and practical guidance for MLIP development for GBs and interfaces in ASSBs, with a focus on three key pillars: data generation, model selection, and validation. Here, we review the current state of MLIP applications for GBs and interfaces in both general and ASSB-specific materials, highlighting best practices and challenges in constructing diverse and representative datasets, choosing appropriate machine learning architectures, and rigorously validating model performance. We also discuss emerging strategies and opportunities for improved reliability and efficiency of MLIPs to simulate realistic interfaces in ASSBs.

Energy - Storage↗

Multi-configuration Membrane Distillation Model (MCMD)

Many membrane distillation models have been created to simulate the heat and mass exchange process involved but most of the literature only validates models to a couple of cases with minor configuration changes. Tools are needed that allow tradeoffs between many configurations. The multiconfiguration membrane distillation model handles many configurations. This report introduces membrane distillation, provides theory, and presents the work to verify and validate the model against experimental data from Colorado School of Mines and a lower resolution model created at the National Renewable Energy Laboratory. Though more data analysis and testing are needed, an initial look at the model to experimental comparisons indicates that the model correlates to the data well but that design comparisons are likely to be incorrect across a broad range of configurations. More accurate quantification of heat and mass transfer through computational fluid mechanics is suggested.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Offshore Wind Energy Validation Experiment Hierarchy

This paper provides a summary of planning work for experiments that will be necessary to address the long-term model validation needs required to meet offshore wind energy deployment goals. Conceptual experiments are identified and laid out in a validation hierarchy for both wind turbine and wind plant applications. Instrumentation needs that will be required for the offshore validation experiments to be impactful are then listed. The document concludes with a nominal vision for how these experiments can be accomplished.

17 WIND ENERGY↗

Evaluating Class 6 Delivery Truck Fuel Economy and Emissions Using Vehicle System Simulations for Conventional and Hybrid Powertrains and Co-Optima Fuel Blends

The US Department of Energy’s Co-Optimization of Engine and Fuels Initiative (Co-Optima) investigated how unique properties of bio-blendstocks considered within Co-Optima help address emissions challenges with mixing controlled compression ignition (i.e., conventional diesel combustion) and enable advanced compression ignition modes suitable for implementation in a diesel engine. Additionally, the potential synergies of these Co-Optima technologies in hybrid vehicle applications in the medium- and heavy-duty sector was also investigated. In this work, vehicles system were simulated using the Autonomie software tool for quantifying the benefits of Co-Optima engine technologies for medium-duty trucks. A Class 6 delivery truck with a 6.7 L diesel engine was used for simulations over representative real-world and certification drive cycles with four different powertrains to investigate fuel economy, criteria emissions, and performance. Comparisons were made between ultralow-sulfur diesel and a blend of 25% hexyl hexanoate with diesel. Model validation data were informed by 2019 model year Cummins ISB 6.7 L diesel engine maps and transient validation data in a pre-production hybrid configuration and a direct dyno coupled configuration with diesel fuel and a blend of 25% hexyl hexanoate with diesel.

33 ADVANCED PROPULSION SYSTEMS↗

Multimodel validation of single wakes in neutral and stratified atmospheric conditions

Previous research has revealed the need for a validation study that considers several wake quantities and code types so that decisions on the trade-off between accuracy and computational cost can be well informed and appropriate to the intended application. In addition to guiding code choice and setup, rigorous model validation exercises are needed to identify weaknesses and strengths of specific models and guide future improvements. Here, we consider 13 approaches to simulating wakes observed with a nacelle-mounted lidar at the Scaled Wind Technology Facility (SWiFT) under varying atmospheric conditions. We find that some of the main challenges in wind turbine wake modeling are related to simulating the inflow. In the neutral benchmark, model performance tracked as expected with model fidelity, with large-eddy simulations performing the best. In the more challenging stable case, steady-state Reynolds-averaged Navier–Stokes simulations were found to outperform other model alternatives because they provide the ability to more easily prescribe noncanonical inflows and their low cost allows for simulations to be repeated as needed. Dynamic measurements were only available for the unstable benchmark at a single downstream distance. These dynamic analyses revealed that differences in the performance of time-stepping models come largely from differences in wake meandering. This highlights the need for more validation exercises that take into account wake dynamics and are able to identify where these differences come from: mesh setup, inflow, turbulence models, or wake-meandering parameterizations. In addition to model validation findings, we summarize lessons learned and provide recommendations for future benchmark exercises.

17 WIND ENERGY↗

Wave-powered water pump for upwelling in aquaculture: Numerical model and ocean test

Wave-powered upwelling can increase the productivity and survivability of several aquaculture species. This enhancement is due to transporting cold, nutrient-rich ocean water, typically found lower in the water column, to the surface. Macroalgaes, like kelp, exhibit increased growth from these altered conditions. The University of New Hampshire’s (UNH) wave-powered water pump (wave pump) is a point absorber wave energy converter (WEC) that uses ocean waves to create relative motion between a spar buoy and a concentric float which drives an internal pump. A numerical model of the wave pump was developed using WEC-Sim to predict device performance in the ocean. Wave pump performance was evaluated during a five day ocean test near Appledore Island in Maine in March 2023, where volumetric flow rate, relative distance between spar and float, and wave conditions were measured. These data were then used for numerical model validation. The ocean deployment recorded the device’s performance in a variety of sea states, with average significant wave heights up to 0.7 m. The ocean test data were compared to the WEC-Sim numerical model of the device with favorable results. Average values of device stroke period, stroke height, and flow rate agreed between the ocean test and model data to within approximately 16 to 22%. Furthermore, the validated numerical model provides a valuable tool for improving the design and developing a commercial-scale, wave-powered water pump for use in aquaculture.

16 TIDAL AND WAVE POWER↗

Light Water Reactor Sustainability Program Status of Adaptive Surrogates within the RAVEN framework

The RAVEN code has been under development at the Idaho National Laboratory since 2012. Its main goal is to create a multi-purpose platform for the deploying of all the capabilities needed for Probabilistic Risk Assessment, uncertainty quantification, data mining analysis and optimization studies. RAVEN has demonstrated a good level of maturity in terms of state-of-art and advanced analysis methodologies. Indeed, in the past year the RAVEN code has been released as open-source project and is available to download (raven.inl.gov) free of charge. The main subject of this report is to show the activities that have been recently accomplished with respect the adaptive surrogate modeling: Implementation of the metric system for the assessment of surrogate model validity; Implementation of cross-validation techniques for the global assessment of surrogate models; Implementation of an automatic infrastructure for switching between a high-fidelity model (e.g. physical code) and a surrogate or set of surrogates; Implementation of a scheme for automatic optimization of surrogate model parameters. The aim of this document is to report the status of the development of methods, within the RAVEN framework, to assess the validity of the predictive capabilities of surrogate models. Indeed, after the construction of a surrogate tight to a certain physical model, it is crucial to assess the goodness of its representation, in order to be confident with its prediction. A cross-validation technique has been employed. This report will highlight the implementation details and proof its correct implementation by an application example. The implementation of a way to assess the predictive capabilities of a surrogate allowed the construction of a RAVEN new entity named “HybridModel” that is aimed to switch between an high-fidelity code and its linked surrogate. In addition, leveraging the optimization algorithms that have been implemented in RAVEN last fiscal year, a new scheme has been developed for automatic tuning of the surrogates’ parameters (e.g. penalty factors in support vector machines).

97 MATHEMATICS AND COMPUTING↗

Photochemical Kinetic Modeling of Degradation of Aqueous Polyvinyl Alcohol in a UV/H{sub 2}O{sub 2} Photoreactor

This study presents a photochemical kinetics model to describe the degradation of water-soluble PVA (Polyvinyl Alcohol) polymer in a UV/H{sub 2}O{sub 2} batch reactor. Under the effect of UV light, the photolysis of hydrogen peroxide into hydroxyl radicals can generate a series of polymer scission reactions. For a better understanding and analysis of the UV/H{sub 2}O{sub 2} process in the cracking of the PVA macromolecules, a chemical reaction mechanism of the degradation process and a relevant photochemical kinetics model are developed to describe the disintegration of the polymer chains. Taking into account the probabilistic fragmentation of the polymer, the statistical moment approach is used to model the molar population balance of live and dead polymer chains. The model predicts the PVA molecular weight reduction, the acidity of the solution, and hydrogen peroxide residual. In addition to previously published data collected in this laboratory, a new set of experiments were conducted using a 500 mg/L PVA aqueous for different hydrogen peroxide/PVA ratios for model validation. Measurements of average molecular weights of the polymer, hydrogen peroxide concentrations and pH of the PVA solution were determinant factors in constructing a reliable photochemical model of the UV/H{sub 2}O{sub 2} process. Experimental data showed a decrease in the PVA molecular weight and a buildup of the solution acidity. The experimental data also served to determine the kinetics rate constants of the PVA photochemical degradation and validate the model whose predictions are in good agreement with data. The model can provide a comprehensive understanding of the impact of the design and operational variables.

36 MATERIALS SCIENCE↗

A detailed reaction mechanism for oxidative coupling of methane over Mn/Na 2 WO 4 /SiO 2 catalyst for non-isothermal conditions

Direct production of ethylene from natural gas or other methane sources has proven to be challenging from catalytic, process design and economic perspectives, with no reports of a commercially viable process to date. Understanding of the underlying non-ideal homogeneous and heterogeneous reactions involved could lead to success, enabling utilization of vast natural gas resources as a replacement for petrochemicals. In this regards, an improved reaction mechanism and computational model, validated experimentally, for oxidative coupling of methane (OCM) over a Mn/Na 2 WO 4 /SiO 2 catalyst is developed, taking into account the non-isothermal behavior exhibited by the gas and surface reactions. The reaction mechanism involves detailed gas-phase and surface elementary steps to describe the OCM chemistry and employing a reduced model for computational efficiency. Our model uses laboratory-scale packed-bed reactor experiments for kinetic mechanism development. The modeling and simulation is particularly focused on a one-dimensional packed-bed reactor. The kinetic model is validated over a wide range of experimental conditions. The model-predicted results and their comparisons with the experimental data are presented wide temperature ranges and methane-to-oxygen feed ratios under adiabatic reactor conditions. The kinetic model is first of its kind in which non-isothermal OCM kinetic behavior is captured using detailed gas-phase and heterogeneous reaction kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Evaluation of Semiempirical Models for Partitioning Photosynthetically Active Radiation Into Diffuse and Direct Beam Components

Photosynthesis is more efficient under diffuse than direct beam photosynthetically active radiation (PAR) per unit PAR, but diffuse PAR is infrequently measured at research sites. We examine four commonly used semiempirical models (Erbs et al., 1982, https://doi.org/10.1016/0038-092X(82)90302-4; Gu et al., 1999, https://doi.org/10.1029/1999JD901068; Roderick, 1999, https://doi.org/10.1016/S0168- 1923(99)00028-3; Weiss & Norman, 1985, https://doi.org/10.1016/0168-1923(85)90020-6) that partition PAR into diffuse and direct beam components based on the negative relationship between atmospheric transparency and scattering of PAR. Radiation observations at 58 sites (140 site years) from the La Thuille FLUXNET data set were used for model validation and coefficient testing. All four models did a reasonable job of predicting the diffuse fraction of PAR (Φ) at the 30 min timescale, with site median r2 values ranging between 0.85 and 0.87, model efficiency coefficients (MECs) between 0.62 and 0.69, and regression slopes within 10% of unity. Model residuals were not strongly correlated with astronomical or standard meteorological variables. We conclude that the Roderick (1999, https://doi.org/10.1016/S0168- 1923(99)00028-3) and Gu et al. (1999, https://doi.org/10.1029/1999JD901068) models performed better overall than the two older models. Using the basic form of these models, the data set was used to find both individual site and universal model coefficients that optimized predictive accuracy. A new universal form of the model is presented in section 5 that increased site median MEC to 0.73. Site-specific model coefficients increased median MEC further to 0.78, indicating usefulness of local/regional training of coefficients to capture the local distributions of aerosols and cloud types.

54 ENVIRONMENTAL SCIENCES↗

Hydrate failure in ITZ governs concrete strength: A micro-to-macro validated engineering mechanics model

Ever since the early days of Féret (1892) and Abrams (1919), concrete research has targeted at relating concrete composition to uniaxial compressive strength. While these activities were mainly characterized by empirical fitting functions, we here take a more fundamental approach based on continuum micromechanics. The loading applied at the concrete level, is first concentrated (''downscaled'') to maximum stresses related to cement paste volumes which are directly adjacent to the aggregates, i.e. to the interfacial transition zones (ITZ). These maximum stresses are further ''downscaled'' to the micron-sized hydrates, in terms of higher-order stress averages. The latter enter a Drucker-Prager failure criterion with material constants derived from nanoindentation tests. The model is successfully validated across the hydrate-to-concrete scales. Strength magnitude is governed by ITZ stress concentrations, and the water-to-cement ratio is its dominant mixture design parameter.

36 MATERIALS SCIENCE↗