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DOE OSTI2025

Real-fluid behavior in rapid compression machines: Does it matter?

Rapid compression machines (RCMs) have been extensively used to quantify fuel autoignition chemistry and validate chemical kinetic models at high-pressure conditions. Historically, the analyses of experimental and modeling RCM autoignition data have been conducted based on the adiabatic core hypothesis with ideal gas assumption, where real-fluid behavior has been completely overlooked, though this might be significant at common RCM test conditions. Here, this work presents a first-of-its-kind study that addresses two significant but overlooked questions for autoignition studies within RCMs in the fundamental combustion community: (i) experiment-wise, can unaccounted-for real-fluid behavior in RCMs affect the interpretation and analysis of RCM experimental data? and (ii) simulation-wise, can unaccounted-for real-fluid behavior in RCMs affect RCM autoignition modeling and the validation of chemical kinetic models? To this end, theories for real-fluid isentropic change are newly proposed and derived based on high-order Virial EoS, and are further incorporated into an effective-volume real-fluid autoignition modeling framework newly developed for RCMs. With detailed analyses, the strong real-fluid behavior in representative RCM tests is confirmed, which can greatly influence the interpretation of RCM autoignition experiments, particularly the determination of end-of-compression temperature and evolution of the adiabatic core in the reaction chamber. Furthermore, real-fluid RCM modeling results reveal that considerable error can be introduced into simulating RCM autoignition experiments when following the community-wide accepted effective-volume approach by assuming ideal-gas behavior, which can be as high as 64% in the simulated ignition delay time at compressed pressure of 125 bar and lead to contradictory validation results of chemical kinetic models. Therefore, we recommend the community to adopt frameworks with real-fluid behavior fully accounted for (e.g., the one developed in this study) to analyze and simulate past and future RCM experiments, so as to avoid misinterpretation of RCM autoignition experiments and eliminate the potential errors that can be introduced into the simulation results with the existing RCM modeling frameworks.

High-order Virial equation of state↗

DOE OSTI2021

Single-column cryogenic air separation: Enabling efficient oxygen production with rapid startup and low capital costs—application to low-carbon fossil-fuel plants

The rapid integration of intermittent renewable sources into the electricity grid is driving the need for more flexible, low-carbon fossil-fuel plants with lower capital costs. This then drives the need to improve the cryogenic air separation unit (ASU). To address this changing landscape, we explore a Praxair single-column ASU (PSC-ASU) design with the goal of reducing costs and improving flexibility, compared to a conventional double-column ASU. The PSC-ASU incorporates partial air condensation and air pre-separation in the bottom reboiler with a phase separator as well as N 2 -enriched vapor condensation in the upper reboiler to decrease energy consumption, as compared to Linde’s single-column ASU. All three of the above-mentioned ASU designs are simulated in Aspen Plus and analyzed. An economic analysis is applied to evaluate the relative cost savings of the PSC-ASU compared to the double-column ASU. Results suggest that the specific energy consumption of the PSC-ASU is significantly lower than that of Linde’s single-column ASU due to a drastically improved oxygen recovery rate. Although this improved oxygen recovery rate is still lower than that of the double-column ASU, the required pressure ratio of the main air compressor is 21% lower than that of the double-column ASU. As a result, the specific energy consumption of the PSC-ASU is only 1.9% greater than that of the double-column ASU for producing 95.1 mol% O 2 . However, the PSC-ASU reduces the hourly capital cost by 19% due to the elimination of a high-pressure column. This would effectively decrease the total hourly cost of the ASU, and thus the total hourly cost of low-carbon, fossil-fuel power plants that require oxygen.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Systematic discovery of new nano-scale metastable intermetallic eutectic phases in laser rapid solidified Aluminum-Germanium alloy

Laser surface remelting of as-cast Al-Ge eutectic alloy is shown to produce ultrafine lamellar eutectic morphology with interlamellar spacing refined up to ∼60 nm and composed of FCC Al solid solution and unusual Al x Ge y intermetallic phases that do not form during near-equilibrium solidification. The microstructures are characterized and analyzed using a combination of selected area electron diffraction, high-resolution scanning transmission electron microscopy, energy dispersive X-ray spectroscopy to obtain high-resolution elemental maps, and atomistic modeling using density functional theory followed by atomic-scale image simulation. Depending on the local solidification conditions, the crystallography of the Al x Ge y intermetallic phases in the eutectic microstructure is either monoclinic (C 2/c) or monoclinic (P 2 1 ), with high densities of defects in both cases. This is in sharp contrast to the as-cast alloys that showed nominally pure Al and Ge phases with significant solute partitioning and equilibrium FCC and diamond cubic crystal structures, respectively. Corresponding kinetic phase diagrams are proposed to interpret the evolution of nano-lamellar eutectic morphologies with equilibrium Al and metastable Al x Ge y phases, and to explain increased solid solubility in the Al phases manifested by precipitation of ultrafine clusters of Ge. Furthermore, the reasons for the formation of these metastable eutectics under laser rapid solidification are discussed from the perspective of the competitive growth criterion.

Al-Ge eutectic↗

DOE OSTI2025

Thin film combinatorial sputtering of TaTiHfZr refractory compositionally complex alloys for rapid materials discovery

Many applications from advanced nuclear reactors to aerospace and automotive industries require materials to operate in extreme environments. In search of new materials that can operate in these extremes, the present work explores this space whereby: (1) guided by atomistic and thermodynamic calculations we utilize thin film combinatorial synthesis to rapidly explore mechanical and thermal properties in a broad range of refractory compositionally complex alloys, and (2) observe transformation induced plasticity via oscillations in the thin film nanoindentation load depth curves that are attributed to, (3) a stress-induced HCP-to-BCC phase transformation in the resulting nanogranular microstructure, which to our knowledge has not been observed before in this alloy system; and finally (4) scale to bulk materials to compare the thin film results.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Fabrication of flexible perovskite solar cells via rapid thermal annealing

Adaptability, lightweight, and low cost of materials make flexible perovskite solar cells essential for the perovskite technology to breach commercial photovoltaic markets. Roll-to-roll manufacturing has great potential for high-throughput perovskite manufacturing; however, conventional annealing methods are not capable of producing flexible perovskite solar cells at scale. Conventional methods are time consuming and may compromise functionality of flexible substrates under tension. Here, we introduce a bladecoated perovskite thin film on flexible ITO-coated PET annealed via rapid thermal annealing (RTA) that reduces post-deposition processing time from ~150 s to ~14 s. As a result, performance was not sacrificed for scalability as a perovskite solar cell was produced with a power conversion efficiency (PCE) of 14.58%.

14 SOLAR ENERGY↗

DOE OSTI2020

Effects of isoalcohol blending with gasoline on autoignition behavior in a rapid compression machine: Isopropanol and isobutanol

Alcohols, and particularly isoalcohols, are potentially advantageous blendstocks towards achieving efficient, low-carbon intensity internal combustion engines. Their use in advanced configurations, such as boosted spark-ignition or spark-assisted compression ignition, requires a comprehensive understanding of their blending effects on the low- and intermediate-temperature autoignition behavior of petroleum-derived gasoline. This work reports an experimental and modeling study of such autoignition characteristics quantified in a twin-piston rapid compression machine. Isopropanol and isobutanol are blended into a research-grade gasoline (FACE-F) at oxygenate blend levels of 0 to 30% vol/vol, with tests conducted at pressures of 20 and 40 bar, temperatures from 700 to 1000 K, and dilute stoichiometric fuel loadings. Changes to overall reactivity, including first-stage and main ignition times, and preliminary exothermicity are established, with comparisons made to previous measurements with ethanol-blended FACE-F gasoline. Furthermore, it is found that at low-temperature/NTC conditions (700–860 K) the isoalcohols suppress first-stage reactivity and associated heat release while main ignition times are extended. At NTC/intermediate-temperature (860–1000 K) conditions changes to fuel reactivity are less significant with isopropanol slightly suppressing reactivity and isobutanol promoting ignition. Detailed chemical kinetic modeling is used to interpret the experimental measurements. Overall trends of suppression or promotion in the blending behavior are reasonably captured by the model. Sensitivity and rate of production analyses indicate that at lower temperatures H-atom abstraction reactions from the surrogate fuel molecules (e.g., cyclopentane, isooctane) and the isoalcohols via OH are important leading to TC 3 H 6 OH and IC 4 H 8 OH–C radicals, for isopropanol and isobutanol respectively, which act as scavengers in the system. At higher temperatures, similar chemistries are dominant, but there is an increasing importance of abstraction by HO 2 . The kinetic modeling also indicates that the promoting effect of isobutanol at higher temperatures is due to the increased abstractions at the γ-sites, while at lower temperatures abstraction at the α-site leads to greater reactivity suppression.

36 MATERIALS SCIENCE↗

DOE OSTI2022

LES of HCCI combustion of iso-octane/air in a flat-piston rapid compression machine

Homogeneous Charge Compression Ignition (HCCI) engines promise better efficiency and cleaner emissions than conventional piston engines, but can be challenging to control. Rapid compression machines (RCM) provide a simplified configuration for investigating HCCI combustion behavior, which is necessary for effective control of engine ignition timing and peak pressures. Here, in this study, we assess the utility of large eddy simulations (LES) for predicting HCCI combustion in a 3-D configuration. To this end, LES with finite-rate chemistry employing a 99-species iso-octane/air mechanism of two RCM operating conditions are performed. The RCM configuration under consideration was designed by Strozzi et al. with a flat piston to introduce large amounts of thermal stratification representative of realistic HCCI engine conditions, through the generation of corner vortices. It is shown that the simulation provides reasonable agreement with temperature fluctuations (7% difference), as well as ignition delay in the short ignition case (1 ms difference), while the long ignition case (35 ms difference) highlights more substantial deficiencies that are still within the expected uncertainty from the employed chemical mechanism. Flame propagation modes predicted by LES agree with experimental observations: spontaneous ignition is seen in the short ignition case, while deflagration is more prominent in the long ignition case. Analysis of global and local quantities classify the short ignition case in a mixed ignition regime, and the long ignition case in the mild ignition regime. These results demonstrate the utility of FRC-LES for investigations of multimode combustion regimes of HCCI combustion in a 3-D configuration.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Three-dimensional morphology of an ultrafine Al-Si eutectic produced via laser rapid solidification

Al-Si alloys processed by laser rapid solidification yield eutectic microstructures with ultrafine and interconnected fibers. Such fibrous structures have long been thought to bear resemblance to those formed in impurity-doped alloys upon conventional casting. Here, we show that any similarity is purely superficial. By harnessing high-throughput characterization and computer vision techniques, we perform a three-dimensional analysis of the branching behavior of the ultrafine eutectic and compare it against an impurity-modified eutectic as well as a random fractal (as a benchmark). Differences in the branching statistics point to different microstructural origins of the impurity- and quench-modified eutectic. Finally, our quantitative approach is not limited to the data presented here but can be used to extract abstract information from other volumetric datasets, without customization.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Toward Scalable Perovskite Solar Modules Using Blade Coating and Rapid Thermal Processing

Toward scalable manufacturing of perovskite solar panels, high-performance planar p–i–n perovskite solar cells (PVSCs) and modules have been demonstrated with blade coating and rapid thermal processing (RTP). The PVSCs made using RTP for less than 30 s have equivalent photovoltaic performance as devices fabricated from hot-plate annealing for 2 min. The resulting PVSCs show the best average power conversion efficiency (PCE) of over 18.47% from forward and reverse scans. Mini-modules with an active area of over 2.7 cm 2 exhibit a champion average PCE of over 17.73% without apparent hysteresis. To the best of our knowledge, these efficiencies are the highest for PVSCs processed by the combination of blade coating and RTP. Furthermore, both the blade coating and RTP were performed in an ambient environment, paving the way for the large-scale production of PVSCs through high-speed roll-to-roll printing.

14 SOLAR ENERGY↗

DOE OSTI2025

Improving tropical cyclone rapid intensification forecasts with satellite measurements of sea surface salinity and calibrated machine learning

Forecasting rapid intensification (RI) of tropical cyclones (TC) is a mission known for large errors. One under-researched factor that affects TC intensification is salinity, which is important for density stratification in certain ocean regions and can affect the surface enthalpy flux under a strengthening hurricane. To investigate the impact and efficacy of using salinity information in state-of-the-art forecasting, we use a statistical model consisting of a variety of machine learning (ML) methods. For salinity data, we use satellite measurements of pre-storm sea surface salinity (SSS) as a proxy for the salinity stratification. We train and test the model on various ocean basins, including the Atlantic, eastern North Pacific and western North Pacific. A calibrator is trained on top of the ML models to correct and enhance probability forecasts. The calibrator significantly improves probability forecasts relative to recent works. The ML model performance is improved with the addition of SSS in the Eastern North Pacific, western North Pacific, and the Caribbean subregion of the North Atlantic, and the overall model performance is better than previous studies. SSS decreases model skill for a model trained on the full Atlantic basin. In the Indian Ocean, SSS is also notably correlated with RI occurrence, but the TC samples are not sufficient to train ML models.

hurricane↗

DOE OSTI2023

Rapid solidified ductile Cu-Al-Mn ribbon and its elastocaloric potential

Abstract Cu-Al-Mn alloys display martensitic transformation over a wide range of temperatures. In addition to low cost, this alloy is known for its low transformation stress with reasonable latent heat favoring elastocaloric applications. However, the ductility of Cu-Al-Mn can be limited owing to ordering and intergranular fracture. Through rapid solidification by melt spinning, we show that Cu-Al-Mn ribbon can be made highly ductile (greater than 8% tensile strain in the as-spun state and 10% tensile strain after heat treatment). The ductility of the melt-spun ribbon is related to the suppression of L2 1 ordering that is characterized through magnetic property measurement. Heat treatment of the ribbon promotes bamboo grain formation, and the latent heat is increased to 6.4 J g −1 . Under tensile conditions, we show that the ribbon exhibited about 4 °C temperature change (4.4 °C on heating and 4.2 °C on cooling from 6.3% strain).

36 MATERIALS SCIENCE↗

DOE OSTI2023

A Comparison of Solidification Structures and Submicroscale Cellular Segregation in Rapidly Solidified Stainless Steels Produced via Two-Piston Splat Quenching and Laser Powder Bed Fusion

Fusion-based additive manufacturing techniques leverage rapid solidification (RS) conditions to create parts with complex geometries, unique microscale/nanoscale morphological features, and elemental segregation. Three custom composition stainless steel alloys with varying chromium equivalence to nickel equivalence ratio (Cr eq /Ni eq ) between 1.53 and 1.95 were processed using laser powder bed fusion (LPBF) and/or two-piston splat quenching (SQ) to produce solidification rates estimated between 0.4 and 0.8 m/s. Both scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were utilized to collect high-resolution images, electron backscatter diffraction (EBSD) phase identification, and measure cellular segregation. Similar features were observed in both LPBF and SQ samples including phase and microstructure, nanoscale oxide particles, cell size, and segregation behavior. However, dislocation pileup was observed along the cell boundaries only in the LPBF austenite solidified microstructure. Targeted adjustment of the SQ feedstock Cr and Ni concentrations, within the ASTM A240 specification for 316L resulted in no observable impact on the cell size, oxide particle size, or magnitude of segregation. Also, the amount of Ni segregation in the ferrite solidified microstructures did not significantly differ, regardless of Cr/Ni eq or processing technique. Here, SQ is demonstrated as capable of simulating RS rates and microstructures similar to LPBF for use as an alternative screening tool for new RS alloy compositions.

42 ENGINEERING↗

DOE OSTI2025

Multiplicity dependent 𝐽/𝜓 and 𝜓⁡(2⁢𝑆) production at forward and backward rapidity in 𝑝 + 𝑝 collisions at $\sqrt{𝑠}$ = 200 GeV

Recent measurements of 𝐽/𝜓 production as a function of event charged-particle multiplicity at the collision energies of both the Large Hadron Collider (LHC) and the Relativistic Heavy Ion Collider (RHIC) show enhanced 𝐽/𝜓 production yields with increasing multiplicity. One potential explanation for this type of dependence is multiparton interactions (MPI). We present the first study of potential autocorrelations at RHIC energies and forward and backward rapidity of self-normalized 𝐽/𝜓 yields and 𝜓⁡(2⁢𝑆) to 𝐽/𝜓 ratio, as a function of self-normalized multiplicity in 𝑝 + 𝑝 collisions. In addition, detailed pythia studies tuned to RHIC energies were performed to investigate the MPI impacts. We find that the PHENIX data at RHIC are consistent with recent LHC measurements and can only be described by pythia calculations that include MPI effects. The forward and backward 𝜓⁡(2⁢𝑆) to 𝐽/𝜓 ratio is found to be less dependent on the charged-particle multiplicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Rapid Prototyping Techniques for Organic Direct-Bonded-Copper Power Modules

Organic Direct-Bonded-Copper (ODBC) is a novel packaging technology for power modules which allows higher flexibility in layout design. In this work, a set of rapid prototyping techniques are developed for ODBC modules based on a polyimide dielectric material. These techniques enable fast and low-cost fabrication of modules with 3-Dimensional (3D) layout features. An example half-bridge (HB) silicon carbide (SiC) metal oxide semiconductor field effect transistor (MOSFET) module is designed and prototyped using the proposed techniques aiming at ultra-low power loop inductance. Finite element analysis (FEA)-circuit co-simulations results and experimental results validate an approximately 0.71nH power loop inductance for the example module design.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Experimental measurements of soot formation in fuel-rich homogeneous mixtures using an optical rapid compression machine

Advanced combustion strategies are necessary for the use of more environmentally sustainable fuels than traditional diesel. Alcohol fuels and alcohol/gasoline blends are of particular interest as they are readily available in the marketplace. Heavy-duty engines typically use compression ignited, conventional diesel mixing controlled combustion. Mixing controlled combustion features a non-premixed diffusion flame with a wide range of local equivalence ratios, leading to potentially high rates of soot formation. This work studies the sooting behavior of iso-octane and ethanol as a function of equivalence ratio. Measurements are carried out in a rapid compression machine (RCM) and are reported for pre-ignition conditions of 10–30 bar and temperatures of 650–800 K. Theoretical equilibrium and bulk gas temperatures are calculated for both fuels. These data are used to identify the critical equivalence ratio, the lowest equivalence ratio where soot is detected with a single-pass laser extinction diagnostic. The critical equivalence ratio for iso-octane varies between 1.82 and 1.77 for compressed pressures of 10 and 20 bar, respectively. Ethanol, sometimes considered sootless, had a critical equivalence ratio between 2.37 and 2.12 for compressed pressures of 20 and 30 bar, respectively. When characterizing soot formation by oxygenated equivalence ratio, the critical equivalence ratios for ethanol approach those of iso-octane. This suggests the oxygenated nature of alcohol fuels reduces sooting tendency, but other factors such as fuel molecular structure and morphology may play a role. It was observed that ethanol will form soot at equivalence ratios only slightly higher than iso-octane, which could have implications in mixing controlled combustion. It was seen for both fuels that soot formation is pressure sensitive, with the critical equivalence ratio being inversely proportional to compressed pressure and the rate of soot formation. Future work will investigate the sooting behavior of gasoline/ethanol blends.

02 PETROLEUM↗

DOE OSTI2022

National Smart Manufacturing Strategic Plan: To Facilitate More Rapid Development, Deployment and Adoption of Smart Manufacturing Technologies

Smart manufacturing technologies provide real-time data and insight to improve the productivity, efficiency, and competitiveness of U.S. manufacturing, creating the potential for new jobs in the manufacturing sector. These technologies can support U.S. manufacturers’ ability to increase throughput and energy efficiency, and decrease waste, defects, and costs. A wide range of manufacturing and industrial subsectors, particularly energy-intensive and energy-dependent industries, have the potential to benefit from smart manufacturing technologies. There are technical improvements still needed to reduce the costs and barriers (trained workforce and upskilling, software-hardware integration, cost, and technical barriers to deployment of advanced sensors, computing, and communication technologies for existing manufacturing assets) to the adoption of smart manufacturing technologies, especially to small and medium-sized manufacturers, and subsequently, increase the overall adoption rate of smart manufacturing technologies. This report outlines the Department of Energy’s (DOE) strategic plan to accelerate the development and implementation of smart manufacturing technologies in the United States and the actions DOE has taken to use these technologies in smart manufacturing for the United States. DOE’s plan to facilitate more rapid development, deployment and widespread adoption of smart manufacturing technologies derive from the 2018 Strategy for American Leadership in Advanced Manufacturing. The strategy outlines a vision for America’s leadership in advanced manufacturing including the development of intelligent manufacturing systems to optimize manufacturing facilities and support the manufacturing of transformative materials. DOE’s Clean Energy Smart Manufacturing Innovation Institute (CESMII), a Manufacturing USA Institute, focuses on accelerating the development and adoption of advanced sensors, controls, platforms, and models needed for smart manufacturing. The objective is to enhance U.S. manufacturing productivity and global competitiveness through the research and development of these technologies. Smart manufacturing has the potential to improve the overall performance, energy productivity, and efficiency of manufacturing, fostering the economic competitiveness of the manufacturing sector.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Bias Correcting NOAA's High-Resolution Rapid Refresh (HRRR) Wind Resource Data for Grid Integration Applications [Slides]

Many weather years of high-quality wind data are widely accepted in the grid integration community to be important for studying wind energy technical potential, energy system operations, and grid resilience. NREL makes high-quality wind and solar resource data available. NREL's Grid-Atmosphere workshop (March 2024) identified NREL National Solar Radiation Database as widely used in grid integration modeling, but there is less agreement on commonly used wind datasets. One important factor identified by ESIG's 2023 report 'Weather Dataset Needs for Planning and Analyzing Modern Power Systems' for gold standard wind data is regular updates. To address the need for regular updates, NREL's team can now process all currently available and regularly updated High-Resolution Rapid Refresh (HRRR) outputs. HRRR is an hourly-updated operational forecast product produced by the National Oceanic and Atmospheric Administration (NOAA) (Dowell et al., 2022). One barrier to NREL using HRRR is systematic bias and consistency with NREL's existing wind datasets (e.g. WIND Toolkit, 'WTK') across weather years. To address this barrier, we show that the HRRR can be interpolated and bias-corrected to be consistent with NRE's existing datasets. We call the new dataset BC-HRRR (bias-corrected HRRR). As with historical datasets like the WTK, BC-HRRR is intended for use in grid integration modeling (e.g., capacity expansion, production cost, and resource adequacy modeling). BC-HRRR's (2015-present) consistency with WTK (2007-2013) allows NREL to extend internal grid integration tooling with 15+ weather years of wind data with low-overhead extensibility to future years as they are made available by NOAA. The rest of this slide deck documents the BC-HRRR processing methods, validation, and its implications for intended use.

17 WIND ENERGY↗

DOE OSTI2025

Precursor Engineering of All-Inorganic Perovskite Absorber and Rapid Photonic Annealing for Large-Area Highly Stable Perovskite Solar Modules

Currently the all-inorganic perovskites were prepared by toxic dimethylformamide (DMF) as a main solvent, and small-area PSCs were prepared by a simple spin-coating method followed by lengthy thermal annealing. All these issues limited the commercialization of these PSCs. Therefore, it is necessary to develop an eco-friendly all-inorganic perovskite ink that can be coated over large areas at low temperatures followed by rapid annealing for the scale-up manufacturing with high compatibility to the industrial scale sheet-to-sheet or roll-to-roll processes.

14 SOLAR ENERGY↗