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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Two-Stage Distributionally Robust Conic Linear Programming over 1-Wasserstein Balls

Here, this paper studies two-stage distributionally robust conic linear programming under constraint uncertainty over type-1 Wasserstein balls. We present optimality conditions for the dual of the worst-case expectation problem, which characterizes worst-case uncertain parameters for its inner maximization problem. This condition offers an alternative proof, a counterexample, and an extension to previous works. Additionally, the condition highlights the potential advantage of a specific distance metric for out-of-sample performance, as exemplified in a numerical study on a facility location problem with demand uncertainty. Furthermore, cutting-plane-based algorithms, equipped with a unified scenario generation framework, are proposed for addressing both unbounded support and second-stage dual feasible regions, with a finite convergence proof under less stringent assumptions.

Wasserstein↗
DOE OSTI2026

The relative influences of hydrologic information and dams’ hydropower scheduling decisions on electricity price forecasts

Price dynamics in wholesale electricity markets are driven by supply and demand. In markets with hydroelectric dams, the timing and amount of hydropower offered can influence prices in similar ways to wind and solar power. Unlike variable renewable energy, however, the supply of hydropower in wholesale markets is a function of both water availability and operational decisions at dams. Dam operators maximize revenues in wholesale markets by aligning generation with the periods of highest expected prices, and these scheduling decisions may in turn influence prices. Here, we examine the relative importance of two types of information in predicting forward electricity prices: a) water availability at dams, in the form of short-to-medium-range hydrological forecasts; and b) hourly scheduling decisions at dams. Using softly coupled hydrologic, hydropower scheduling, and power systems models spanning the U.S. Western Interconnection, we quantify the importance of hydrologic forecast accuracy in correctly predicting wholesale electricity prices and compare this with the influence of dam operators’ own hourly scheduling decisions on realized market prices. We find that aligning hydropower generation schedules with the periods of high forecasted prices causes larger, inadvertent price forecast errors than imperfect hydrologic forecasts. This suggests that knowledge of how water is managed by dam operators within the week is more important than weekly inflow forecast errors when predicting forward electricity prices. Our findings have implications for optimal hydropower scheduling by region. Specifically, accounting for price effects is critical in markets dominated by hydropower capacity.

Electricity markets↗
DOE OSTI2023

Quantifying interfacial energetics of 2D semiconductor electrodes using in situ spectroelectrochemistry and many-body theory

Hot carrier extraction occurs in 2D semiconductor photoelectrochemical cells. Boosting the energy efficiency of hot carrier-based photoelectrochemical cells requires maximizing the hot carrier extraction rate relative to the cooling rate. One could expect to tune the hot carrier extraction rate constant (k ET ) via a Marcus–Gerischer relationship, where k ET depends exponentially on ΔG°' (the standard driving force for interfacial electron transfer). ΔG°' is defined as the energy level difference between a semiconductor's conduction/valence band (CB/VB) minima/maxima and the redox potential of reactant molecules in solution. A major challenge in the electrochemistry community is that conventional approaches to quantify ΔG°' for bulk semiconductors (e.g., Mott–Schottky measurements) cannot be directly applied to ultrathin 2D electrodes. The specific problem is that enormous electronic bandgap changes (>0.5 eV) and CB/VB edge movement take place upon illuminating or applying a potential to a 2D semiconductor electrode. Here, we develop an in situ absorbance spectroscopy approach to quantify interfacial energetics of 2D semiconductor/electrolyte interfaces using a minimal many-body model. Our results show that band edge movement in monolayer MoS 2 is significant (0.2–0.5 eV) over a narrow range of applied potentials (0.2–0.3 V). Such large band edge shifts could change k ET by a factor of 10–100, which has important consequences for practical solar energy conversion applications. We discuss the current experimental and theoretical knowledge gaps that must be addressed to minimize the error in the proposed optical approach.

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

Sample-Efficient Adaptive Calibration of Quantum Networks Using Bayesian Optimization

All physical systems employed for quantum information tasks must act as unbiased carriers of encoded quantum states. Ensuring such indistinguishability of information carriers is a major challenge in many quantum information applications, including advanced quantum communication protocols. For photons, the workhorses of quantum communication networks, it is difficult to obtain and maintain their indistinguishability because of environment-induced transformations and loss imparted by communication channels, especially in noisy scenarios. Conventional strategies to mitigate these transformations often require hardware or software overhead that is restrictive (e.g., adding noise), infeasible (e.g., on a satellite), or time-consuming for deployed networks. In this work we propose and develop resource-efficient Bayesian optimization techniques to rapidly and adaptively calibrate the indistinguishability of individual photons for quantum networks using only information derived from their measurement. To experimentally validate our approach, we demonstrate the optimization of Hong-Ou-Mandel interference between two photons-a central task in quantum networking- finding rapid, efficient, and reliable convergence towards maximal photon indistinguishability in the presence of high loss and shot noise. We expect our resource-optimized and experimentally friendly methodology will allow fast and reliable calibration of indistinguishable quanta, a necessary task in distributed quantum computing, communications, and sensing, as well as for fundamental investigations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Kansas City, Missouri, Streetlight Electric Vehicle Charging: Strategies and challenges for site selection of streetlight electric vehicle infrastructure in Kansas City, Missouri (Final Report)

Public streetlight charging, whether on streets in central business districts or residential areas, provides easy charging access for apartment residents and homeowners alike. While most electric vehicle (EV) drivers charge at home, they do so in garages or on driveways they own. For renters and residents of multifamily housing (MFH), however, this may not be an option. EVs have a lower cost of ownership compared to conventional vehicles, and a used EV may be an affordable option for a lower-income household. But without easy access to charging, even a low-cost used EV may not be an option for a prospective buyer. An affordable curbside charging network has the potential to expand EV adoption into neighborhoods that have to date seen minimal interest and uptake of the technology and associated charging infrastructure. Streetlight charging networks can provide an economical, scalable, and effective approach to providing equitable and convenient charging. Metropolitan Energy Center (MEC) is dedicated to the mission of creating resource efficiency, environmental health, and economic vitality in the Kansas City region and beyond. Since 1983, MEC has provided resources, outreach, and training to make alternative fuels and energy efficiency commonplace. MEC led a streetlight charging pilot project that installed limited EV charging infrastructure on the streetlight system in Kansas City, Missouri, to demonstrate and test the benefits of curbside charging for EVs at existing on-street parking locations. The project aimed to cost-effectively expand the charging network in Kansas City to support residential charging and provide infrastructure in one or more charging deserts throughout the city. This pilot evaluates the impact and overall success of streetlight charging based on community feedback, utilization of charging infrastructure, technical feasibility, and cost. The project has pursued a data- and community-driven site selection process designed to identify sites with high demand and high opportunity for EV charging. This project was funded by the U.S. Department of Energy (DOE) and awarded to MEC through a competitive proposal process. The novelty and complexity of this project required an organization that could facilitate collaboration across levels of government, community members, and industry partners. For the past 25 years, through Kansas City Regional Clean Cities, MEC has worked with numerous public and private fleets on a variety of projects to improve the environmental performance and efficiency of the regional vehicle fleet. To advance affordable, efficient, and clean transportation efforts, DOE Clean Cities and Communities coalitions create local networks of public and private sector stakeholders and engage communities. Rooted within their local communities, the coalitions serve as experts and ambassadors, bringing to bear the collective knowledge, experience, and practical know-how of the entire network from within DOE, its national laboratories, and diverse stakeholders in the field. MEC and its project partners made in-kind contributions to leverage federal dollars for the benefit of the Kansas City community. Findings from this project will help determine the best applications for streetlight charging technologies to maximize funding impact and serve community needs. The team evaluated locations based on expected charging demand, technical feasibility, safety considerations, and enhanced charging network siting needs. Throughout the project, the team gathered feedback and evaluated ways to make public charging for EVs available to all community members. The insights will help Kansas City and other communities streamline future efforts to support EV drivers through public charging in the city right-of-way. Furthermore, this project will inform citywide guidance for future installations. MEC is committed to a transparent and publicly accessible approach that encourages the collaborative evaluation of streetlight charging. The project has engaged the community to proactively identify and evaluate the benefits and impacts of streetlight charging. It was a priority for the project to ensure the benefits of this pilot are distributed equitably to all members of the Kansas City community and that new charging opportunities and associated resources are available in diverse neighborhoods across the city. The charging infrastructure supports an affordable curbside charging network that will enable more drivers to choose EVs and provide easy charging access for all community members interested in driving an EV. The community feedback received through this project informed future resources and opportunities to make EVs more accessible to all members of the Kansas City community. MEC worked with several community partners on this project, including Missouri University of Science and Technology (MST), Pennsylvania State University (Penn State), the National Renewable Energy Laboratory (NREL); the city of Kansas City, Missouri; Evergy; Black and McDonald (B&M); LilyPad EV; EVNoire; and Westside Housing Organization (WHO). Project partners contributed to the cost match required for DOE grants through capital expenditures, personnel, and other in-kind contributions. Detailed descriptions of project team organizations can be found in Appendix A. Project Partners. Analysts at NREL and MST/PennState developed site maps based on demand and equity considerations. MEC conducted outreach to community members to garner input on project design and site selection, and received approval from the Missouri Public Service Commission (PSC) for Evergy’s EV charging station ownership. MEC worked with all partners to gather additional siting criteria and developed a site selection evaluation checklist, and partners conducted site visits to proposed installation sites. Next, B&M, Evergy, and the city executed all site agreements, conducted site-specific engineering design, acquired associated permits, and issued notices to proceed site by site or in small batches. Finally, from January to April 2023, the project team installed 23 EV charging stations built on Kansas City’s streetlight system in six council districts. Evergy will own, operate, and monitor the stations for 10 years, sharing charging data with MEC for at least 1 year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Demonstration of Scaled-Production of Rare Earth Oxides and Critical Materials from U. S. Coal-Based Sources (Final Report)

The project objective was to demonstrate scaled production of high purity rare earth oxides (REO), nominally exceeding 90% grade, from coal refuse sources using innovative technologies that reduce cost and improve environmental outcomes relative to traditional rare earth processing technologies. The project utilized a critical material pilot plant constructed and tested as part of a previous U.S. Department of Energy project. Target performance criteria was a 50% reduction in production cost based on previous optimum values, 150% increase in recovery and greater than 2% concentrates of rare earth oxides, cobalt and manganese. Concentrate production goals were to produce a rare earth mix oxide product at a rate of 200 grams per day having a minimum purity of 50% as well as products of cobalt and manganese having a minimum purity of 2%. A previous pilot plant investigation identified acid cost as the major contributor to an operating cost that made the recovery of rare earth and other critical metals from bituminous coal sources economically challenging. As such, acid cost reduction was a major target using bio-oxidation reactors to produce sulfuric acid from naturally occurring coal pyrite. Based on laboratory data, a bio-oxidation circuit was designed for the pilot plant to produce 7.5 l/min of acid using two 11-m3 (3000 gallon) reactors equipped with 40 hp aerators for air dispersion. The pilot-scale tests revealed that acid concentration equivalent to as high as 1.0 M sulfuric acid could be continuously produced. However, the bio-acid contained exceptionally high iron concentrations, which complicated downstream processing of the pregnant leach solution (PLS). A TEA of the bio-oxidation circuit showed that production cost was approximately $0.13 per kg acid equivalent if produced using a four-day retention time in the reactors. This value represents a 48% reduction from that of purchased bulk sulfuric acid. Calcination (or roasting) studies were conducted on coarse refuse from West Kentucky No. 13 and Fire Clay coal seam sources. The test results revealed the potential to increase recovery by nearly 100% using temperatures between 500°C to 700°C with light REE recovery value being the most improved. Acid baking of the calcined products using sulfuric acid at 250°C increased heavy rare earth recovery from around 40% to 80% while decreasing the acid requirements by over 50%. The existing pilot plant was upgraded for the pilot scale demonstration of REE and CM recovery. The primary feedstocks were West Kentucky No.13 and heap leach pregnant leach solution (PLS) while a secondary feedstock was a lignite waste material from a construction sand operation. The pilot scale operation started with PLS generation through leaching followed by iron and aluminum removal, nominally at 3.3 and 4.5 pH, respectively. Leaching lixiviants used for the test were industrial grade sulfuric acid or bio-acid generated at the pilot scale facility. For most of the tests, the solid feed rate was 200 lb/hr whereas lixiviant was added at 2 gpm to provide an optimal residence time of 45 minutes. Following the contaminant removal step, several different process schematics were tested with the goal of maximizing REE recovery and purity. In the first test, direct processing of aluminum precipitation raffinate for REE recovery using oxalic acid at pH 1.5 was investigated. Overall REE recovery was approximately 45%. Unfortunately, elevated calcium content in the PLS significantly impacted the RE-Oxide product grade. Similarly, high calcium content decreased both the product purity and grades of CM products. As such, a new flowsheet was tested with the same initial process schematic but different precipitation stages for REEs and CMs at pH 6.0 and 9.0, respectively. It was noted that the overlapping precipitation behavior of Co, Ni and Zn with REEs limited the applicability of this process schematic. While this change increased the RE-Oxide grade from 36% in the first test to 87%, the loss of critical metals to the REE cake and bypass of the REEs to the CM cake significantly impacted the recovery of both REEs and CMs. Therefore, the modified process flowsheet combined oxalic acid precipitation stage raffinate and redissolved CM cake filtrate to maximize both the recovery and purity of the products. Consequently, a RE-Oxide product with 85% purity and CM cakes with over 19% Co, 38% Ni, 14% Zn and 9% Mn content were generated with significantly higher recoveries. While the modified process flowsheet improved recoveries and grades, elemental losses observed in separate precipitation and redissolution losses inspired the adaptation of a single precipitation stage at pH 9.0 for both REEs and CMs. This change was anticipated to maximize the REE recovery while minimizing the costs associated with separated redissolution and processing stages. As expected, REE recovery in this new circuit arrangement was over 56% with a product grade of over 87% RE-Oxide content. Similarly, Co, Ni, Mn, and Zn recoveries of 54%, 40%, 67%, and 66%, respectively, were achieved. Unfortunately, the elevated calcium content present in the solution due to its precipitation at pH 9.0 caused a decrease in the CM cake quality. Therefore, the final process flowsheet involved the addition of calcium oxalate precipitation following the oxalic acid precipitation stage, which effectively eliminated calcium contamination of the CM products. Finally, the pilot scale experiments conducted using bio-acid achieved comparable REE leaching recoveries to the conventional sulfuric acid leaching. Elevated iron concentration in the solution caused the co-precipitation of REEs with the iron and aluminum cake, resulting in the REE losses. Furthermore, elevated iron content bypassing the iron and aluminum precipitation stages contaminated the metal sulfide and manganese cake, respectively. A techno-economic analysis was performed based on a commercial facility capable of treating 500 tph of coal-based material. The production cost for West Kentucky No. 13 coarse refuse material ranged from approximately $500-$700/kg of total rare earth oxide whereas the lignite source had significantly lower production cost of $100-$300/kg. The significant difference in cost was due to the easier leaching characteristics of the lignite material and the higher feed concentrations. All process scenarios resulted in a negative net present value (NPV). For the lignite feedstock, laboratory REE leach recovery values were about 30% higher than the pilot plant data. Using the lab leach results, a positive net present value was achieved and the production cost decreased from $100-$300 $/kg to less than $150/kg of total REO.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Variational approach to quantum state tomography based on maximal entropy formalism

Quantum state tomography is an integral part of quantum computation and offers the starting point for the validation of various quantum devices. One of the central tasks in the field of state tomography is to reconstruct, with high fidelity, the quantum states of a quantum system. From an experiment on a real quantum device, one can obtain the mean measurement values of different operators. With such data as input, in this report we employ the maximal entropy formalism to construct the least biased mixed quantum state that is consistent with the given set of expectation values. Even though, in principle, the reported formalism is quite general and should work for an arbitrary set of observables, in practice we shall demonstrate the efficacy of the algorithm on an informationally complete (IC) set of Hermitian operators. Such a set possesses the advantage of uniquely specifying a single quantum state from which the experimental measurements have been sampled and hence renders the rare opportunity not only to construct a least-biased quantum state but even replicate the exact state prepared experimentally within a preset tolerance. Here, the primary workhorse of the algorithm is reconstructing an energy function which we designate as the effective Hamiltonian of the system, and parameterizing it with Lagrange multipliers, according to the formalism of maximal entropy. These parameters are thereafter optimized variationally so that the reconstructed quantum state of the system converges to the true quantum state within an error threshold. To this end, we employ a parameterized quantum circuit and a hybrid quantum-classical variational algorithm to obtain such a target state, making our recipe easily implementable on a near-term quantum device.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium fa values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9 .3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-I and Table ES-2, respectively. The experimental study, with four test conditions in triplicate, was performed in a dual glovebox with a nominally 3 vol.% H 2 in argon atmosphere (target H 2 range: 3 ± I vol.%). Simulants containing MgO only ( experimental control) and MgO+Fe 0 (WIPP base case) were prepared for both the Salado and Castile brines. MgO was included in all simulants to account for the use of bulk magnesium oxide in the WIPP repository. Fe 0 was included in some simulants to incorporate the effects of the anoxic corrosion of iron and in-situ hydrogen generation in the study. The brine compositions were developed by Sandia National Laboratory (SNL; Xiong, 2008) and have been used in previous WIPP evaluations. The test method (agitation, etc.) is partially based on ASTM D3987-12. Twelve rounds of periodic measurements of pH and E h were performed over the course of the study. Chemical analysis results for liquids and solids (ICP-MS, ICP-ES, IC Anion, TIC, SEM-EDX) are consistent with the pH, E h , and thermodynamic modeling results. This study included the following conditions that deviate from anticipated post-closure conditions following brine intrusion, but were selected to facilitate bench-scale testing to validate modeling of pH and E h for the post-closure WIP P repository: an anoxic glove box atmosphere containing ≤ 4 vol. % H 2 vs. substantially higher H 2 gas concentrations assumed in the WIPP Performance Assessment (PA); a significantly higher liquid-to-solid test ratio compared to the much lower phase ratio anticipated in the WIP P repository; agitation of the simulant bottles to maximize mass transfer; and finally the use of Fe 0 reagents having a much greater surface area than expected in the WIP P repository. Non-representative conditions were chosen for various reasons such as: to provide bounding conservative results, to provide a margin of safety for testing, or to facilitate simulant sub-sampling and analysis. In a parallel effort, aqueous electrolyte thermodynamic models were developed for the synthetic Salado and Castile brines to inform the experimental design, facilitate laboratory data interpretation, and allow extension of evaluations beyond the parameters tested. Thermodynamic modeling simulations including the MgO and Fe 0 additives that are directly relevant to the experimental measurements (e.g., pH calibration curve, ORP corrections) are included in this report. The measured fa of the simulants was close to the OLI model predictions for both brines and was largely controlled by the background H 2 partial pressure in the vapor phase as well as H 2 generated in situ in the aqueous phase by the Fe 0 corrosion. The H 2 gas-phase concentration tested and thermodynamically evaluated was much lower than is assumed in the WIPP PA; however, H 2 (g) concentrations significantly below this level are still predicted to result in very reducing conditions. In conclusion: • The experimental results are consistent with thermodynamic model predictions for fa, pH, and the effects of high ionic strength. • Evidence to date suggests that the H2 concentration in the glovebox atmosphere ultimately determined the final E h values of the simulants and resulted in highly reducing conditions. As a result, little difference was observed between the control simulants containing only MgO and the WIPP base-case simulants that contained MgO and Fe 0 . • This test methodology is recommended for future studies evaluating WIPP repository conditions. The methodology includes: (1) background H 2 in argon with agitation ( or could alternatively include in-situ-generated H 2 in sealed bottles); (2) carefully measured and corrected ORP data ( with much effort focused on allowing the probes to fully stabilize); and (3) ionic-strength-corrected pH data. Other best practices, such as simulant sparging/handling, ORP probe replacement, etc., should also be considered. • The coupling of experimental studies and thermodynamic modeling is also highly recommended because these methods inform and direct one another leading to greater confidence in and understanding of the results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Are better combinations of DERs more profitable?: Combinatorial optimization for aggregation of DERs in wholesale electricity markets

Recently, regulatory changes in various countries have enabled the participation of small-scale distributed energy resources (DERs) aggregated in virtual power plants (VPPs) in wholesale electricity markets. The inherent uncertainty and variability of resources comprising VPPs can lead to imbalances between forecasted and metered outputs, potentially resulting in the deficient settlement of generation under imbalance settlement rules. To address this challenge, it is essential to manage variability in the planning phase and uncertainty in the operation phase. Most current research focuses on managing forecasting errors in the operational phase, with insufficient attention given to the planning phase. Here, to bridge this gap, this paper proposes an optimal combination strategy for DERs to maximize the market participation revenue of VPPs by proactively managing variability in the planning phase. To estimate the expected revenue, we conducted analyses for homogeneous and heterogeneous DERs using Monte Carlo simulations and genetic algorithms. Remarkably, the proposed method demonstrated approximately 8 % higher revenue compared to the neighboring group case when considering diversity in DER set configuration with equal proportions of photovoltaics and wind.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

The eROSITA Final Equatorial-Depth Survey (eFEDS)

Theoretical models of the co-evolution of galaxies and active galactic nuclei (AGNs) ascribe an important role in the feedback process to a short, luminous, obscured, and dust-enshrouded phase during which the accretion rate of the supermassive black hole is expected to be at its maximum and the associated AGN-driven winds are also predicted to be maximally developed. Here, to test this scenario, we have isolated a textbook candidate from the eROSITA Final Equatorial-Depth Survey (eFEDS) obtained within the performance and verification program of the eROSITA telescope on board the Spectrum Röntgen Gamma mission. From an initial catalogue of 246 hard X-ray selected sources that are matched with the photometric and spectroscopic information available within the eROSITA and Hyper Suprime-Cam consortia, three candidates quasars in the feedback phase have been isolated applying a diagnostic proposed previously. Only one source (eFEDS J091157.4+014327) has a spectrum already available (from SDSS-DR16, z = 0.603) and it unambiguously shows abroad component (full width at half maximum ~1650 kms –1 ) in the [OIII]5007 line. The associated observed L [OIII] is ~2.6 × 10 42 erg s –1 , one to two orders of magnitude higher than that observed in local Seyfert galaxies and comparable to those observed in a sample of z ~ 0.5 type 1 quasars. From the multi-wavelength data available, we derive an Eddington ratio (L bol /L Edd ) of ~0.25 and a bolometric correction in the hard X-ray band of k bol ~ 10, which is lower than the corrections observed for objects at similar bolometric luminosity. These properties, along with the outflow, the high X-ray luminosity, the moderate X-ray obscuration (L X ~10 44.8 erg s –1 , N H ~2.7 × 10 22 cm –2 ), and the red optical colour, all match the prediction of quasars in the feedback phase from merger-driven models. Forecasting to the full eROSITA all-sky survey with its spectroscopic follow-up, we predict that by the end of 2024, we will have a sample of few hundred such objects at z= 0.5–2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Mira–Titan Universe – IV. High-precision power spectrum emulation

Modern cosmological surveys are delivering data sets characterized by unprecedented quality and statistical completeness; this trend is expected to continue in the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the non-linear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira–Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. This gravity-only set of simulations covers the standard six cosmological parameters {ω m , ω b , σ 8 , $h, n_s, w_0$} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state {ω ν , $w_a$}. In this paper, we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1 Gpc) 3 volume and evolving 3200 3 particles. In this work, an additional set of 1776 lower resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly non-linear regimes (maximum wavenumber $\textit{k}$ = 5 Mpc –1 ). The emulator provides predictions at the 2–3 percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Electric Vehicle and Charging Infrastructure Assessment in Cold-Weather Climates: A Case Study of Fairbanks, Alaska

The purpose of this report is to determine the effects that extreme cold temperatures have on electric vehicles (EVs) and electric vehicle supply equipment (EVSE). The adoption of EVs in extreme cold weather presents challenges that require careful analysis of efficiency and charging infrastructure. This report, "Electric Vehicle and Charging Infrastructure Assessment in Cold-Weather Climates: A Case Study of Fairbanks, Alaska," explores how EVs and EVSE perform in temperatures as low as -40 degrees C (-40 degrees F), focusing on real-world data from Teslas in Alaskan winter conditions. The findings indicate that EVs can successfully function in extreme cold, though efficiency is significantly affected. Vehicles stored in heated environments outperformed those stored outdoors, with efficiency dropping by up to 69% for outdoor storage. Despite these challenges, none of the vehicles experienced failures that prevented travel. Storing EVs indoors led to benefits such as faster preconditioning and improved efficiency, while charging in extreme cold, though slower, remained functional. Ultimately, the report concludes that with proper precautions and best practices, EVs are viable transportation solutions in cold climates. Investing in enclosed, heated storage is recommended to maximize efficiency and minimize battery strain. As advancements in battery chemistry and thermal management progress, EV adoption in extreme climates is expected to become even more feasible.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Incorporating Operational Uncertainties into the Dispatch of an Integrated Solar and Storage System

The economic assessment of hybrid energy systems (HES) pairing battery energy storage systems (BESSs) and photovoltaics (PV) is highly important for advancing their deployment in power systems. This paper presents an innovative assessment framework, including an optimal control policy for dispatch under uncertainty and procedures for exploring control parameters that maximize economic benefits. The proposed dispatch policy consists of two steps using system forecast information. The first step is to determine whether a BESS will be used within an operational scheduling time frame based on the probability of events and their thresholds. Once the dispatch of BESS is triggered, a model predictive control (MPC) is carried out in the second step for scheduling using the expected value of system information. By exercising this policy with different thresholds, one can explore the trade-offs between short-term benefits and battery lifetime, and identify an optimal threshold that maximizes the total economic benefits within the battery lifetime. An evaluation study in a real-world HES project is presented to illustrate the proposed framework. Compared with traditional optimal dispatch algorithms, the proposed method can significantly improve the economic benefits of an HES scheduled under forecast uncertainties.

Ma, Xu↗
DOE OSTI2022

Identification of a characteristic doping for charge order phenomena in Bi-2212 cuprates via RIXS

Identifying quantum critical points (QCPs) and their associated fluctuations may hold the key to unraveling the unusual electronic phenomena observed in cuprate superconductors. Recently, signatures of quantum fluctuations associated with charge order (CO) have been inferred from the anomalous enhancement of CO excitations that accompany the reduction of the CO order parameter in the superconducting state. Furthermore, to gain more insight about the interplay between CO and superconductivity, we investigate the doping dependence of this phenomenon throughout the Bi-2212 cuprate phase diagram using resonant inelastic x-ray scattering (RIXS) at the Cu L 3 edge. As doping increases, the CO wavevector decreases, saturating near a commensurate value of 0.25 r.l.u. beyond a characteristic doping p c , where the correlation length becomes shorter than the apparent periodicity (4a 0 ). Such behavior is indicative of the fluctuating nature of the CO; and the proliferation of CO excitations in the superconducting state also appears strongest at p c , consistent with expected behavior at a CO QCP. Intriguingly, p c appears to be near optimal doping, where the superconducting transition temperature T c is maximal.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Durability Evaluation of Advanced Fenestration Technologies

In the U.S., more than 40% of primary energy and 70% of electricity is consumed in residential and commercial buildings, resulting in annual energy costs of more than $430 billion. Approximately 35% of this consumption can be attributed to losses through the building envelope, of which windows are currently the weakest link. Multiple technologies are under development to improve this performance. This includes dynamic and photovoltaic glazing as well as emerging highly insulating technologies including vacuum insulating glass (VIG), aerogels and thin-glass based multi-pane configurations. While windows are specified based on expected performance as installed, the energy savings realized by high performance windows are delivered over time. This makes it critical to understand and maximize the durability of high-performance windows to ensure those projected energy savings are delivered. Present methods for evaluating durability are based on existing technologies. These methods may not apply or be adequate for newer emerging technologies which often present novel failure mechanisms that need to be understood and evaluated differently. In this presentation, we will discuss our efforts to define appropriate methods to improve the evaluation of many existing technologies as well as evaluate the durability of emerging window technologies. This work results from the combination of an extensive review of various international standards as well as existing scientific literature. In addition, input was gathered from multiple industry stakeholders regarding present practice as well as feedback on proposed improvements to existing methods. Here we will share these findings and present proposed improvements to developing and existing durability evaluation protocols.

building envelope↗
DOE OSTI2023

Search for third-generation vector-like leptons in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for vector-like leptons in multilepton (two, three, or four-or-more electrons plus muons) final states with zero or more hadronic $τ$-lepton decays is presented. The search is performed using a dataset corresponding to an integrated luminosity of 139 fb -1 of proton-proton collisions at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector at the LHC. To maximize the separation of signal and background, a machine-learning classifier is used. No excess of events is observed beyond the Standard Model expectation. Using a doublet vector-like lepton model, vector-like leptons coupling to third-generation Standard Model leptons are excluded in the mass range from 130 GeV to 900 GeV at the 95% confidence level, while the highest excluded mass is expected to be 970 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Multistage Condensation Pathway Minimizes Hysteresis in Water Harvesting with Large-Pore Metal–Organic Frameworks

Metal-organic frameworks (MOFs) have emerged as promising materials for atmospheric water harvesting (AWH). Large-pore MOFs provide high water capacity, but their significant hysteresis between sorption and desorption makes them unsuitable for AWH. Co2Cl2(BTDD) is a noteworthy exception. This MOF has large, 2.2 nm diameter one-dimensional pores, and combines both record-high water capacity and minimal hysteresis, making it an excellent material for water capture in arid areas. Sorption reversibility in Co2Cl2(BTDD) has been attributed to continuous water uptake. However, the sharp adsorption/desorption in the isotherms supports a discontinuous first-order transition. Here we use molecular simulations to compute the water adsorption and desorption pathways and isotherms in a Co2Cl2(BTDD) model, to elucidate how does this MOF achieve reversibility despite its large pore size. The simulations reveal a multi-stage mechanism of discontinuous water uptake facilitated by spatial segregation of rows of hydrophilic metal sites bridged by ~1 nm hydrophobic ligands. The multi-stage mechanism breaks the barrier of capillary condensation into smaller, easier to surmount ones, resulting in a facile process despite the sharp density discontinuity between confined liquid and vapor. Our results explain why exchanging Co2+ for Ni2+ or Clfor F- in the MOF have minimal impact on the condensation and desorption pressures. On the other hand, we predict that a decrease in hydrophilicity of the MOF vertices would strongly increase the hysteresis. We expect that the relationships between spatial distribution of hydrophilic sites and hysteresis unraveled in this study assist the design of water harvesting materials with maximal capacity and reversibility.

Zaragoza, Alberto↗
DOE OSTI2022

LCOE reduction through proactively optimized monitoring of PV Systems (Final Technical Report)

The project demonstrates the value proposition for a high-resolution monitoring system (HRMS) with diagnostic-prognostic capability and determine its impact on LCOE. The HRMS differs from conventional monitoring systems in a number of ways. First it will include the capability to automatically measure IV curves at the string and module levels. This provides a much richer view into the DC performance of the PV system and allows classification of many typical failure and degradation modes. Second, it will incorporate software capable of quantifying power and energy losses in the field as well as define the location and mechanism of the power and energy loss. Moreover, we aimed to deliver a prognostic system that is capable of predicting certain failures before they occur and giving system operators the opportunity to more efficiently plan operations and maintenance (O&M) activity in order to lower costs and increase yield over the life of the system. The research identifies cost targets required for different monitoring stages, including at the string combiner, at the individual string, and at the module level, to lower the levelized cost of energy (LCOE). Finally, a comprehensive guide determines the value PV monitoring brings to PV field operations. The guide assists plant operators in maximizing value from existing plants and identify the trade-offs of different monitoring solutions for future plants depending on the size, location, and expected system lifetime.

14 SOLAR ENERGY↗