Results for “Injection Strategy” — Page 15

DOE OSTI2022

Accurate and Timely Forecasts of Geologic Carbon Storage using Machine Learning Methods

Carbon capture and storage is one strategy to reduce greenhouse gas emissions. One approach to storing the captured CO2 is to inject it into deep saline aquifers. However, dynamics of the injected CO2 plume is uncertain and the potential for leakage back to the atmosphere must be assessed. Thus, accurate and timely forecasts of CO2 storage via real-time measurements integration becomes very crucial. This study proposes a learning-based, inverse-free prediction method that can accurately and rapidly forecast CO2 movement and distribution with uncertainty quantification based on limited simulation and observation data. The machine learning techniques include dimension reduction, multivariate data analysis, and Bayesian learning. The outcome is expected to provide CO2 storage site operators with an effective tool for real-time decision making.

Lu, Dan↗

DOE OSTI2021

History Matching and Performance Prediction of a Polymer Flood Pilot in Heavy Oil Reservoir on Alaska North Slope

The first-ever polymer flood pilot to enhance heavy oil recovery on Alaska North Slope (ANS) is ongoing. After more than 2.5 years of polymer injection, significant benefit has been observed from the decrease in water cut from 65% to less than 15% in the project producers. The primary objective of this study is to develop a robust history-matched reservoir simulation model capable of predicting future polymer flood performance. In this work, the reservoir simulation model has been developed based on the geological model and available reservoir and fluid data. In particular, four high transmissibility strips were introduced to connect the injector-producer well pairs, simulating short-circuiting flow behavior that can be explained by viscous fingering and reproducing the water cut history. The strip transmissibilities were manually tuned to improve the history matching results during the waterflooding and polymer flooding periods, respectively. It has been found that higher strip transmissibilities match the sharp water cut increase very well in the waterflooding period. Then the strip transmissibilities need to be reduced with time to match the significant water cut reduction. The viscous fingering effect in the reservoir during waterflooding and the restoration of injection conformance during polymer flooding have been effectively represented. Based on the validated simulation model, numerical simulation tests have been conducted to investigate the oil recovery performance under different development strategies, with consideration for sensitivity to polymer parameter uncertainties. The oil recovery factor with polymer flooding can reach about 39% in 30 years, twice as much as forecasted with continued waterflooding. Besides, the updated reservoir model has been successfully employed to forecast polymer utilization, a valuable parameter to evaluate the pilot test’s economic efficiency. All the investigated development strategies indicate polymer utilization lower than 3.5 lbs/bbl in 30 years, which is economically attractive.

Wang, Xindan↗

DOE OSTI2019

Strong Near-Infrared Solid Emission and Enhanced N-Type Mobility for Poly(naphthalene Diimide) Vinylene by a Random Polymerization Strategy

Organic semiconductors possessing both strong solid emission and charge transport ability are crucial for certain applications such as organic light-emitting transistors and injection lasers, but they are rather rare. Among those which are successful, n-type materials with long emission wavelength are even more scarce. Here, a series of random polymers with the dithiophene unit into a poly(naphthalene diimide) vinylene are synthesized. A strong near-infrared solid emission under wavelength of 730 nm and photoluminescence efficiency of 11.2% is achieved, with an enhanced n-type OFET performance of electron mobility up to 0.011 cm 2 V -1 s -1 . GIXRD and AFM analysis reveal that the introduction with confined dithiophene can improve the localized pi-pi intermolecular interaction, while retaining the overall low crystalline state for thin films of these polymers, which should be the vital factor for balancing the solid emission and charge transport ability. This simple random polymerization strategy might be beneficial in future molecular design for such dual functional materials.materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

DOE OSTI2026

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

DOE OSTI2020

Model predictive control for voltage restoration in microgrids using temporal logic specifications

Power system operation will encounter numerous voltage variabilities as the proliferation of renewable energy continues. Real-time monitoring and communication technologies can potentially improve voltage stability by enabling the rapid detection of voltage deviations and the implementation of corrective actions. These corrective actions will only be effective in restoring stability if they are chosen in a timely and scalable manner. This paper considers the problem of power systems’ load voltage control in order to simultaneously address both magnitude and time voltage specifications. In order to comply with grid codes and avoid unnecessary relay protection actions, a model predictive control (MPC)-based control strategy employing temporal logic specifications (TLSs) is proposed. The TLSs strategy is introduced as a formalism to control the voltage variation at a critical load bus against operational bounds over time. The control objective is to schedule optimal control input signals from the available supportive energy storage systems, which provide reactive power injections, leading to satisfying the specified finite-time restoration described by the TLSs with minimal control efforts. The simulation results display that the TLSs strategy for power systems’ voltage control synthesis is extremely significant.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Characterizing organic carbon dynamics during biostimulation of a uranium contaminated field site

Uranium contamination of groundwater remains a pressing problem at many former uranium mining and milling operations, such as the Rifle, Integrated Field Research Challenge (IFRC) site. Biostimulation of the subsurface with an organic carbon source such as acetate, followed by the microbially-induced reductive precipitation of uranium has been proposed as an effective remediation strategy. While uranium bioreduction has been studied in several field experiments, the transformation and fate of injected carbon remains poorly understood. This study evaluated the impact of added organic carbon on the long-term biogeochemical attenuation of uranium in the subsurface of a former mill tailings site. Fluorescence and ultraviolet–visible absorbance analyses were used together with dissolved organic carbon (DOC) measurements to track organic carbon dynamics during and post-biostimulation of the 2011 Rifle IFRC experiment. An electron mass balance was performed on well CD01 to account for any unidentified carbon sinks. Measured DOC values increased to 1.76 mM-C during biostimulation, and to 3.18 mM-C post-biostimulation over background DOC values of 0.3–0.4 mM-C. Elevated DOC levels persisted for 90 days after acetate injections ceased. The electron mass balance revealed that assumed electron acceptors would not account for the total amount of acetate consumed. Excitation–emission matrices showed an increase in signals associated with soluble microbial products, during biostimulation, which disappeared post-biostimulation despite an increase in total DOC. Specific ultraviolet absorbance analyses, indicated that DOC present post-biostimulation is less aromatic in nature, compared to background DOC. Furthermore, our results suggest that microbes convert injected acetate into a form of solid phase organic matter that may be available to sustain iron reduction post-stimulation.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2023

A synthetic Roman Space Telescope High-Latitude Time-Domain Survey: supernovae in the deep field

ABSTRACT NASA will launch the Nancy Grace Roman Space Telescope (hereafter Roman) in the second half of this decade, which will allow for a generation-defining measurement of dark energy through multiple probes, including Type Ia supernovae (SNe Ia). To improve decisions on survey strategy, we have created the first simulations of realistic Roman images that include artificial SNe Ia injected as point sources in the images. Our analysis combines work done on Roman simulations for weak gravitational lensing studies as well as catalogue-level simulations of SN Ia samples. We have created a time series of images over 2 yr containing ∼1050 SNe Ia, covering a 1 deg2 subarea of a planned 5 deg2 deep survey. We have released these images publicly for community use along with input catalogues of all injected sources. We create secondary products from these images by generating coadded images and demonstrating recovery of transient sources using image subtraction. We perform first-use analyses on these images in order to measure galaxy detection efficiency, point source detection efficiency, and host-galaxy association biases. The simulated images can be found here at https://roman.ipac.caltech.edu/sims/SN_Survey_Image_sim.html.

Astronomy & Astrophysics↗

DOE OSTI2022

Direct Measurement of Ice-Ablator Interface Motion for Instability Mitigation in Indirect Drive ICF Implosions

In indirect drive inertial confinement fusion (ICF) implosions hydrodynamic instability growth at the imploding capsule ablator-DT fuel interface can reduce fuel compressibility and inject ablator into the hot spot hence reducing hot spot pressure and temperature. As a mitigation strategy, a gentle acceleration of this interface is predicted by simulations and theory to significantly reduce this instability growth in the early stage of the implosion. We have performed high-contrast, time-resolved x-ray refraction enhanced radiography (RER) to accurately measure the level of acceleration as a function of the initial laser drive time history for indirect-drive implosions on the National Ignition Facility. Here, we demonstrate a transition from no acceleration to 20 ± 1.8μm ns -2 acceleration by tweaking the drive that should reduce the initial instabilities by an order of magnitude at high modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

I.1 Heavy-Duty Diesel Combustion (Sandia National Laboratories)

Regulatory drivers and market demands for lower pollutant emissions, lower carbon dioxide emissions, and lower fuel consumption motivate the development of cleaner and more fuel-efficient engine operating strategies. Most current production heavy-duty diesel engines use a combination of both in-cylinder and exhaust emissions-control strategies to achieve these goals. The emissions and efficiency performance of in-cylinder strategies depend strongly on flow and mixing processes that can be influenced by using multiple fuel injections. Past work performed under this project showed that adding a second injection can reduce soot to levels below what would have been produced by an unchanged first injection, thereby increasing load while decreasing soot and potentially reducing brake specific fuel consumption. Information characterizing the important in-cylinder processes with multiple injections has been gleaned from ensemble-averaged planar laser-induced incandescence (PLII) imaging visualizing the soot cloud and planar induced fluorescence (PLIF) of OH characterizing the soot oxidation regions. PLII showed a consistent disruption of the first injection soot cloud by the second injection. In conjunction with OH-PLIF, differences in soot oxidation patterns for multiple injections compared to single injections were observed. This understanding was further enhanced in FY20, when high-speed imaging resolving the above-mentioned effects in a single cycle were combined with direct numerical simulations investigating the multiple-injection ignition process on the microscopic level of turbulence and chemistry interaction. In FY21, these findings in conjunction with findings from other researchers published in the scientific literature were composed into a preliminary multiple-injection conceptual model of fuel-mixing, injection and ignition processes. Remaining key research questions were also highlighted. In addition, wall heat flux was investigated experimentally and with numerical simulations to understand the potential of multiple injections to reduce the engine heat losses and further enhance the efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Dual-Purpose Canister Filling Demonstration Project Progress Report at ORNL, 2023

The US DOE Office of Nuclear Energy is investigating the feasibility of direct disposal of dual-purpose canisters (DPCs) in a hypothetical geological repository to offset the potential requirement to repackage spent nuclear fuel (SNF) from existing DPCs into smaller, disposal-ready canisters. Oak Ridge National Laboratory (ORNL) is currently evaluating the feasibility of filling void space in loaded DPCs with an engineered material to prevent a criticality event caused by groundwater/moderator intrusion. Metal alloys are being investigated as a filler material because of their relatively low viscosities when molten, which may facilitate their injection via an existing drainpipe that runs almost the full length of the DPC. ORNL’s strategy for evaluating filler viability includes simulations and physical demonstrations of filling and casting behavior, as well as evaluations of materials for compatibility in the repository environment. Filling of DPCs in this manner is expected to mitigate the risk associated with a post-closure criticality event during the repository performance assessment time frame (10,000 years or greater). Efforts in this fiscal year focused on (1) destructive analysis of experimental filler castings made in FY 2022, (2) a report outlining a conceptual design of a DPC filling facility (Fortner et al., 2023, M3SF 23OR010305044/ ORNL/SPR-2023/2921, May 31, 2023), (3) a report on affected features, events, and processes (FEPs) due to DPC filling (Price et al., 2023, M3SF-23SN010305093, issuance pending), (4) developing and testing a more practical alloy filler based upon a Sn-Al eutectic, and (5) modeling the heating and cooling dynamics of a DPC subjected to molten metal filling. The preliminary results from each of these tasks support the feasibility of filling DPCs with metal as a strategy against the possibility of criticality in the repository. The FY 2022 casting was found to penetrate even very small orifices in the mold and internal structures. Preliminary testing of the Sn-Al eutectic indicate little interaction of the melt with Zircaloy cladding. Thermal modelling shows that a filled DPC will cool to manageable temperatures within 2-3 days, which is likely manageable in a facility.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

A Neural Network-Based Power Mismatch Elimination Strategy for Integrated Solar and ESS AC/DC Systems (MARS)

The multiport autonomous reconfigurable solar power plant (MARS) is a promising concept for the integration of photovoltaic (PV) and energy storage system (ESS) to the transmission ac grid and a high-voltage direct current (HVdc) link. The presence of PV and ESS in each arm of the MARS results in uneven distribution of active power among different submodules (SMs), thereby leading to unbalanced SM capacitor voltages and potentially compromising the system stability. Moreover, in the case of partial shadings, shaded PV SMs will suffer from decreased power injections causing power mismatch in the MARS system. To address this issue, a neural-network-based power mismatch elimination (NNPME) strategy is proposed in this article. The proposed NNPME strategy optimizes ESS usage and leverages both dc and ac circulating currents to facilitate power transfer among the SMs, arms, and phases of the MARS system. Simulation and control hardware-in-the-loop (cHIL) experiments demonstrate the effectiveness of the proposed NNPME strategy. Compared with the traditional approaches, the proposed NNPME strategy can significantly enhance system efficiency and ensure stable and continuous operation, even in the presence of uneven power distribution within the MARS system.

14 SOLAR ENERGY↗

DOE OSTI2021

Experimental Study of Microgel Conformance-Control Treatment for a Polymer-Flooding Reservoir Containing Superpermeable Channels

Summary Polymer flooding has been widely used to improve oil recovery. However, its effectiveness would be diminished when channels (e.g., fractures, fracture-like channels, void-space conduits) are present in a reservoir. In this study, we designed a series of particular sandwich-like channel models and tested the effectiveness and applicable conditions of micrometer-sized preformed particle gels (PPGs, or microgels) in improving the polymer-flooding efficiency. We studied the selective penetration and placement of the microgel particles, and their abilities for fluid diversion and oil-recovery improvement. The results suggest that polymer flooding alone would be inefficient to achieve a satisfactory oil recovery as the heterogeneity of the reservoir becomes more serious (e.g., permeability contrast kc/km > 50). The polymer solution would vainly flow through the channels and leave the majority of oil in the matrices behind. Additional conformance-treatment efforts are required. We tried to inject microgels in an attempt to shut off the channels. After the microgel treatment, impressive improvement of the polymer-flooding performance was observed in some of our experiments. The water cut could be reduced significantly by as high as nearly 40%, and the sweep efficiency and overall oil recovery of the polymer flood were improved. The conditions under which the microgel-treatment strategy was effective were further explored. We observed that the microgels form an external impermeable cake at the very beginning of microgel injection and prevent the gel particles from entering the matrices. Instead, the microgel particles could selectively penetrate and shut off the superpermeable channels under proper conditions. Our results suggest that the 260-µm microgel particles tested in this study are effective to attack the excessive-water-production problem and improve the oil recovery when the channel has a high permeability (>50 darcies). The gels are unlikely to be effective for channels that are less than 30 darcies because of the penetration/transport difficulties. After the gels effectively penetrate and shut off the superpermeable channel, the subsequent polymer solution is diverted to the matrices (i.e., the unswept oil zones) to displace the bypassed oil. Overall, this study provides important insights to help achieve successful polymer-flooding applications in reservoirs with superpermeable channels.

Engineering↗

DOE OSTI2025

A comparative analysis of numerical approaches for the description of gas flow in clay-based repository systems: From a laboratory to a large-scale gas injection test

There is nowadays a consensus among many countries that geological disposal is a favourable solution for the long-term management. Although different host formations and different barrier systems are under consideration around the world, clay-based materials form an important component for waste isolation in most national programmes. Hence, a good comprehension of the effect of gas flow on the hydro-mechanical behaviour of clay-based soils is essential, both at laboratory and field scale. Task B under the international cooperative project DECOVALEX-2023 has recently shown that, after some enhancement, models can be employed to reproduce laboratory scale tests, even with different sample geometries 37 . However, further work is required to understand whether they can be applied to simulate a large-scale experiment. Up-scaling of models for the advective transport of gas through clay-based low permeable material presents a number of problems related to the difficulty in obtaining consistent hydrogeological parameters and constitutive relationships at both laboratory and field scale. Based on a unique dataset from a large-scale gas injection test (Lasgit) performed at the Äspö Hard Rock Laboratory (Sweden), Task B within DECOVALEX-2023 has explored the refinement of these numerical strategies applied to the simulation of gas flow. Work performed within the task reveals that codes do not need to be substantially modified from the laboratory models to reproduce full-scale tests: indeed, model parameters calibrated and validated at laboratory scale have been applied to predict field scale gas flow at Lasgit, including peak gas pressure and injected cumulative gas volume. By means of (1) the introduction of interfaces between blocks to reflect the experimental configuration and the (2) adjustment of some parameters (e.g., higher permeability), the updated models are able to represent most of the key features observed in the experimental data, even at a large scale.

Tamayo-Mas, E↗

DOE OSTI2020

Ultrafast hot-hole injection modifies hot-electron dynamics in Au/p-GaN heterostructures

A fundamental understanding of hot-carrier dynamics in photo-excited metal nanostructures is needed to unlock their potential for photodetection and photocatalysis. Despite numerous studies on the ultrafast dynamics of hot electrons, so far, the temporal evolution of hot holes in metal-semiconductor heterostructures remains unknown. Here, we report ultrafast (t < 200 fs) hot-hole injection from Au nanoparticles into the valence band of p-type GaN. The removal of hot holes from below the Au Fermi level is observed to substantially alter the thermalization dynamics of hot electrons, reducing the peak electronic temperature and the electron-phonon coupling time of the Au nanoparticles. First-principles calculations reveal that hot-hole injection modifies the relaxation dynamics of hot electrons in Au nanoparticles by modulating the electronic structure of the metal on timescales commensurate with electron-electron scattering. Overall, these results advance our understanding of hot-hole dynamics in metal-semiconductor heterostructures and offer additional strategies for manipulating the dynamics of hot carriers on ultrafast timescales. Photo-excited gold nanoparticles are shown to provide ultrafast and efficient hot-hole injection to the valence band of p-type GaN, substantially altering hot-electron dynamics in the nanoparticles and forming a basis to design hot-hole-based optoelectronics.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Radiation Damage and Mitigation by Minority Carrier Injection in InAsSb/AlAsSb Heterojunction Barrier Mid-Wave Infrared Detector

Here, the effects of gamma and proton irradiation, and of forward bias minority carrier injection, on photo-response were investigated for InAsSb/AlAsSb pBn mid-wave infrared (MWIR) detectors with an engineered majority-carrier barrier. Room-temperature gamma irradiation had an insignificant effect on 77 K photo-response. Gamma irradiation at 77 K detector temperature, however, decreased in situ photo-response by 19% after a cumulative dose of ~ 500 krad(Si). Subsequent forward bias minority carrier injection had no effect on photo-response. The 77 K detectors irradiated with 30 MeV protons up to 2 Mrad(Si) had photo-response degraded by up to 70%, but here forward bias minority carrier (hole) injection caused up to 12% recovery that persisted more than 30 min. These results suggest a mitigation strategy for maintaining the photo-response of similar detectors in radiation environments that cause displacement damage defects.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Numerical investigation of equivalence ratio effects on Flex-Fuel mixing controlled combustion enabled by prechamber ignition

There is interest in adapting renewable and low-carbon intensity fuels to heavy-duty engines to help displace criteria and greenhouse gas emissions associated with diesel combustion. Low-carbon fuels have inherently low cetane numbers and thus pose a significant challenge when considering direct substitution in diesel combustion systems. Use of an actively fueled prechamber as an ignition source to initiate mixing-controlled combustion (PC-MCC) of low-cetane fuels is becoming an attractive combustion mode to alleviate the identified reactivity deficit. This work focuses on the utilization of an active prechamber to facilitate diesel-like combustion of bioethanol-gasoline fuel blends in a heavy-duty engine. Recent results in this emerging technology suggest that ignition quality is uniquely coupled to prechamber equivalence ratio. In this numerical study, the fundamental implications of prechamber equivalence ratio on the ignition performance of direct injected fuels ranging from E10 to E100 are investigated using CONVERGE. Parametric studies of the prechamber operating strategy were assessed at diesel-like conditions to characterize the performance trends relative to a diesel baseline at the same boundary conditions. Simulation results indicate that PC-MCC is flex-fuel capable and achieves diesel-like ignition qualities and combustion processes for all fuels considered under stoichiometric and rich prechamber conditions. To characterize the equivalence ratio trends observed, a novel inflow boundary modeling technique was utilized to prescribe turbulent jets in place of the prechamber where selective speciation of the jet composition was conducted to isolate the ignition contributions of radical and reacting species in lean, stoichiometric, and rich jets. The inflow boundary modeling suggests that excess fuel and combustion intermediates present in jets produced from stratified and fuel-rich prechamber operation promotes higher jet temperatures and as such are superior ignition sources. Relative to a lean prechamber jet, the peak temperature of a reacting jet from a rich prechamber was up to 600 K hotter at fixed distances from the orifice exit. Furthermore, radicals also demonstrated an influence on the ignition process, but the combustion mode was identified to be thermally dominant.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Potential Seismicity Along Basement Faults Induced by Geological Carbon Sequestration

Large-scale CO 2 sequestration into geological formations has been suggested to reduce CO 2 emissions from industrial activities. However, much like enhanced geothermal stimulation and wastewater injection, CO 2 sequestration has a potential to induce earthquake along weak faults, which can be considered a negative impact on safety and public opinion. This research shows the physical mechanisms of potential seismic hazards along basement faults driven by CO 2 sequestration under variation in geological and operational constraints. Specifically we compare the poroelastic behaviors between multiphase flow and single-phase flow cases, highlighting specific needs of evaluating induced seismicity associated with CO 2 sequestration. In contrast to single-phase injection scenario, slower migration of the CO 2 plume than pressure pulse may delay accumulation of pressure and stress along basement faults that may not be mitigated immediately by shut-in of injection. The impact of multiphase flow system, therefore, needs to be considered for proper monitoring and mitigation strategies.

58 GEOSCIENCES↗