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DOE OSTI2021

Molecular Engineering of 2D Nanomaterial Field-Effect Transistor Sensors: Fundamentals and Translation across Innovation Spectrum

We report over the last decade, 2D layered nanomaterials have attracted significant attention across the scientific community due to their rich and exotic properties. Various nanoelectronic devices based on these 2D nanomaterials have been explored and demonstrated, including those for environmental applications. Here, the fundamental attributes of 2D layered nanomaterials for field-effect transistor (FET) sensors and tunneling FET (TFET) sensors, which provide versatile detection of water contaminants such as heavy-metal ions, bacteria, nutrients, and organic pollutants, are discussed. The major challenges and opportunities are also outlined for designing and fabricating 2D nanomaterial FET/TFET sensors with superior performance. Translation of these FET/TFET sensors from fundamental research to applied technology is illustrated through a case study on graphene-based real-time FET water sensors. A second case study centers on large-scale sensor networks for water-quality monitoring to enable intelligent drinking water and river-water systems. Overall, 2D nanomaterial FET sensors have significant potential for enabling a human-centered intelligent water system that can likely be applied to other precarious water supplies around the globe.

2D nanomaterials↗

DOE OSTI2023

Development and testing of residential micro-CHP powered by opposed piston engine (CRADA Final Report)

A micro–combined heat and power (mCHP) prototype powered by innovative opposed piston engine technology was developed to simultaneously provide electricity and heat to residential or light commercial buildings. The mCHP prototype targeted at residential applications includes an opposed-piston four-stroke (OP4S) engine, generator, rectifier, inverter, battery energy storage system, 52 gal water tank, and application accessories for hot water supply and space heating. The OP4S engine can use renewable or regular natural gas, as well as hydrogen, to generate mechanical power and waste heat in form of hot coolant and exhaust gas simultaneously. The waste heat is recovered and stored in the water tank and can be used as a regular hot water supply and/or for space heating application. The tests show that the mCHP prototype enabled power outputs in the range of 3.2 –7.4 kW with up to 26.4% of AC electricity efficiency and up to 93.1% of the overall mCHP efficiency under stoichiometric combustion modes λ=~1.0. The mCHP was also run under lean combustion mode conditions at λ=~1.3. The lean mode operation enables more than 30% improvement in electrical energy efficiency. The maximum AC efficiency of the lean combustion mode attained was 35.2%, with the engine efficiency is approaching 40%. The exceptional electrical efficiency breaks the typical upper boundary of 30% for ICE-based mCHP. The engine exhaust temperatures in the lean modes are substantially less than in the stoichiometric modes. Moreover, the lean cases achieve high overall mCHP efficiencies: the overall mCHP efficiencies are all greater than 93%. Considering the mCHP prototype can achieve low-cost, flexible matching of thermal and electrical loads through reducing the complexity of distribution and installation, and high efficiency the novel technology will promote mCHP acceptance in the US residential and light commercial markets.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

A country-scale green energy-water-hydrogen nexus: Jordan as a case study

Many developing countries suffer from a shortage of clean energy-water production, causing significant dependency on imported fossil fuel to meet the local energy and freshwater demands. Furthermore, when planning a 100 % renewable energy system (RES) to match the energy demand on an hourly basis, the RES is usually oversized. Hence, unavoidable large amounts of excess energy would be generated during hours of high production, low demand, and fully charged energy storage systems (ESSs). Hence, using Jordan as a case study, this work proposes a novel integrated system of wind, solar photovoltaic (PV), and lithium-ion ESS to match 100 % of the country's energy demand while using the excess generated power to drive reverse osmosis water desalination plants to match the demand of freshwater as well. Furthermore, the remaining excess energy is used for producing green hydrogen. A techno-economic optimizer was developed to show that this concept is indeed feasible. Here, the model was used to scan Jordan for the fitting sites of the highest demand-supply matching and the lowest levelized cost of electricity (LCOE), simultaneously. Three different integration scenarios are presented, namely PV-ESS, wind-ESS, and hybrid PV-wind-ESS RESs. The hybrid system showed the best performance, especially compared to the wind-ESS RES, in terms of total installed capacity (33.37 GW), LCOE (0.0492 USD/kWh), specific water cost (0.3629 USD/m 3 ), and energy and water demand-supply fractions (99.47 and 96.16 %, respectively). Storing desalinated water in natural aquifers was found to be a favorable option to enhance the performance of the three systems, where stored water by the end of the year was sufficient to cover the freshwater requirements for several following years. Finally, the remaining excess energy is used to produce green hydrogen with an annual production of up to 1.37 million tons and a specific cost down to 1.08 USD/kg.

14 SOLAR ENERGY↗

DOE OSTI2025

Hydronic Shell: An Affordable Solution for Multifamily Deep Energy Retrofit

Approximately 42% of multi-family buildings in the United States have do not have insulation as required by the building codes. Envelope retrofits of these buildings are needed to improve their thermal performance, provide thermal resilience, and enable a pathway to electrification of space heating systems. Hydronic shell (HS) is a retrofit technique where a stud wall layer is added to a masonry wall along with a convective coil and a fan coil unit fitted in the façade cavity which can provide both heating and cooling to the space. The HS system serves a dual purpose of 1) retrofitting the building envelope and 2) retrofitting the HVAC system and enabling electrification of space heating. The electrification of space heating is possible from the installation of a combination of hydronic system/fan coil unit system which uses a central heat pump as a source of heating water in the cavity between the existing wall and retrofit insulation layer. This study evaluates the performance of the HS system at varying outdoor conditions mimicked by a climate chamber and hot water supply temperature from a water bath. During the ramp-up period, the indoor chamber temperature could be increased from 66 ºF to 69.5 ºF within an hour using heating water at 120 ºF when the outdoor chamber temperature was at 0 ºF. When the indoor chamber temperature was maintained within a deadband, variation in cavity air temperature was mostly influenced by the duration when water was flowing through the cavity convector. It was seen from the testing that the hydronic system alone without use of fan in the system is able to maintain the space temperature at coldest outdoor condition used in the experiment (0 ºF) even at lowest hot water supply temperature chosen (90 ºF). During the ramp-down period, the fastest decline in temperature took 6.4 hours from temperature to drop from 69.6 ºF to 66 ºF which shows tremendous potential of thermal resilience and peak load shifting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Predicting initial trans-membrane pressure across cycles in the ultrafiltration process using random forest

With growing freshwater scarcity, direct potable reuse (DPR) systems that reclaim wastewater for drinking are becoming increasingly important for sustainable water supply. Reliable operation requires minimizing downtime in ultrafiltration (UF) units, where membrane fouling leads to elevated trans-membrane pressure (TMP). This study develops data-driven regression models based on random forest (RF) and autoregressive (AR) approaches to forecast the initial TMP at the start of each UF filtration cycle in a pilot-scale DPR system. The RF model consistently outperforms baseline methods, including historical mean, last observation carried forward, and AR models, across multiple forecast horizons, achieving the lowest root mean square error. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent input variables across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is assessed for both direct and recursive RF modelling approaches. The proposed RF framework establishes a robust foundation for predictive monitoring and real-time optimization of UF operations, supporting sustainable and reliable water reuse.

direct potable reuse↗

DOE OSTI2021

IDEAS-Watersheds FY21 Annual Report for July 1, 2020-June 30, 2021

Watersheds play a critical role in our water supply infrastructure and require sustainable management in a changing environment. Sustainable management of watershed systems and their interaction with the built environment rely on understanding the hydrologic and biogeochemical processes that control watershed system dynamics and water availability and quality. The overarching objective of the U.S. Department of Energy’s (DOE’s) Environmental System Science (ESS) program is to advance a robust, predictive understanding of how watersheds function and respond to perturbations as integrated hydrobiogeochemical systems. ESS supports a network of watershed testbeds within the United States where national laboratories and university partners work in interdisciplinary teams to advance watershed system science for energy.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Salinity Contributions from Geothermal Waters to the Rio Grande and Shallow Aquifer System in the Transboundary Mesilla (United States)/Conejos-Médanos (Mexico) Basin

Freshwater scarcity has raised concerns about the long-term availability of the water supplies within the transboundary Mesilla (United States)/Conejos-Médanos (Mexico) Basin in Texas, New Mexico, and Chihuahua. Analysis of legacy temperature data and groundwater flux estimates indicates that the region’s known geothermal systems may contribute more than 45,000 tons of dissolved solids per year to the shallow aquifer system, with around 8500 tons of dissolved solids being delivered from localized groundwater upflow zones within those geothermal systems. If this salinity flux is steady and eventually flows into the Rio Grande, it could account for 22% of the typical average annual cumulative Rio Grande salinity that leaves the basin each year—this salinity proportion could be much greater in times of low streamflow. Regional water level mapping indicates upwelling brackish waters flow towards the Rio Grande and the southern part of the Mesilla portion of the basin with some water intercepted by wells in Las Cruces and northern Chihuahua. Upwelling waters ascend from depths greater than 1 km with focused flow along fault zones, uplifted bedrock, and/or fractured igneous intrusions. Overall, this work demonstrates the utility of using heat as a groundwater tracer to identify salinity sources and further informs stakeholders on the presence of several brackish upflow zones that could notably degrade the quality of international water supplies in this developed drought-stricken region.

Pepin, Jeff D. (ORCID:0000000274109979)↗

DOE OSTI2021

A Flexible and Generic Functional Mock-up Unit Based Threat Injection Framework for Grid-interactive Efficient Buildings: A Case Study in Modelica

Grid-interactive efficient buildings (GEBs) have been considered as an important asset to support the power grid reliability by utilizing the demand flexibility offered by GEBs. GEBs are enabled by advances in sensors and controls, and the communication between building equipment, whole buildings, and the grid. The integration of different building technologies and network-based communication system makes GEBs vulnerable to passive threats such as equipment failure and active threats such as cyber-attacks. Modeling and simulation is an effective way to evaluate the impact of threats on the system performance. This paper proposes a generic and flexible threat injection framework for commonly-used building energy simulators such as EnergyPlus and Modelica to support threat modeling and evaluation. This framework leverages functional mock-up unit (FMU) to develop a general modeling interface for threat injection and simulation. A numerical case study using Modelica as a building energy simulator is conducted to demonstrate the capability of the framework for supporting single/multiple-order threat modeling and simulation of a GEB. Four threats and their combinations are injected on a Modelica-based threat-free building energy and control system, including operating supply fan at its full speed, remotely cycling the chiller on and off, blocking the chiller from receiving the chilled water supply temperature setpoints, and hijacking the global zone air temperature setpoint. Simulation results show that the cyber-attack that leads to short-term signal blocking has small effects on the system operation due to the "self-healing" feature of the heating, ventilation, and air-conditioning (HVAC) interactive control system. The threat that takes control of resetting the global zone air temperature setpoints has the most adverse impact on the system energy use, peak power demand, thermal comfort and the provision of demand flexibility. The combination of four threats have aggregative effects on the system but the effects are less than the additive effects of the individual threat.

Fu, Yanyang↗

DOE OSTI2021

A Case Study on Condenser Water Supply Temperature Optimization with a District Cooling Plant

District cooling (DC) continues to proliferate due to increasing global cooling demands and economies of scale benefits; however, most district-scale modeling has focused on heating, and to the best of our knowledge, researchers have yet to model cooling plants featuring waterside economizers in DC settings. With the popular Modelica Buildings library expanding its capabilities to district scale, this study is one of the first to demonstrate how the open-source models can be used for detailed energy and control analysis of a DC plant. For a real-world case study, we developed and calibrated high-fidelity models for a DC system central plant at a college campus in Colorado, USA, and we optimized the condenser water supply temperature (CWST) setpoint for a DC plant across multiple time horizons using the Optimization library in Dymola. Results indicate that annual CWST optimization saves 4.7% annual plant energy, with less than 1% of additional energy savings gained through daily optimization. This confirms previous studies' findings that high frequency CWST optimizations are not necessary for the studied system.

chiller plant↗

DOE OSTI2020

Evaluating cross-sectoral impacts of climate change and adaptations on the energy-water nexus: a framework and California case study

Abstract Electricity and water systems are inextricably linked through water demands for energy generation, and through energy demands for using, moving, and treating water and wastewater. Climate change may stress these interdependencies, together referred to as the energy-water nexus, by reducing water availability for hydropower generation and by increasing irrigation and electricity demand for groundwater pumping, among other feedbacks. Further, many climate adaptation measures to augment water supplies—such as water recycling and desalination—are energy-intensive. However, water and electricity system climate vulnerabilities and adaptations are often studied in isolation, without considering how multiple interactive risks may compound. This paper reviews the fragmented literature and develops a generalized framework for understanding these implications of climate change on the energy-water nexus. We apply this framework in a case study to quantify end-century direct climate impacts on California’s water and electricity resources and estimate the magnitude of the indirect cross-sectoral feedback of electricity demand from various water adaptation strategies. Our results show that increased space cooling demand and decreased hydropower generation are the most significant direct climate change impacts on California’s electricity sector by end-century. In California’s water sector, climate change impacts directly on surface water availability exceed demand changes, but have considerable uncertainty, both in direction and magnitude. Additionally, we find that the energy demands of water sector climate adaptations could significantly affect California’s future electricity system needs. If the worst-case water shortage occurs under climate change, water-conserving adaptation measures can provide large energy savings co-benefits, but other energy-intensive water adaptations may double the direct impacts of climate change on the state’s electricity resource requirement. These results highlight the value of coordinated adaptation planning between the energy and water sectors to achieve mutually beneficial solutions for climate resilience.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Cost estimation of balance of plant equipment scale up for proton exchange membrane water electrolyzer systems

Water electrolyzers that use electricity to split water into hydrogen and oxygen could be a key technology for increasing hydrogen supply to meet expanded and emerging market applications, although currently the capital costs of these electrolyzers are high. Here we examine cost reductions that might be achieved by scaling up proton exchange membrane (PEM) electrolyzer systems and leveraging economies of scale through balance of plant (BOP) components for system sizes between 1 MW and 1 GW. We estimate BOP equipment capital costs of about $\$$848/kW at 1 MW, potentially decreasing to $\$$87/kW at 1 GW (2022-dollar year basis) with most of the cost reduction happening as systems scale from 1 MW to 100 MW. We find that BOP subsystems hydrogen drying and water knockout benefited the most from economies-of-scale cost reductions, and piping, instrumentation, and housing and power electronics were less impacted. These cost reductions from economies of scale could be more significant than estimated cost reductions from manufacturing scale-up reported in literature. These results add to the knowledge base that could guide optimal system designs that balance process scale-up with plant modularization and numbering-up. We also estimate that scaling up BOP could potentially lower the levelized cost of hydrogen (LCOH) by $\$$1.7-$\$$4.6/kg, depending on the scale-up magnitude and the plant capacity factor.

08 HYDROGEN↗

DOE OSTI2020

Evolution of Electric Sector Water Use Under Alternative Electricity Futures

Increasing competition for water resources in the United States could create future challenges for allocating and using thermal cooling water in the U.S. electric power sector. While thermal power plant retirements and the growth of wind and solar technologies can reduce national aggregate power sector cooling water use, local water constraints and growing demand for agricultural or municipal supply could create greater needs for higher-cost alternative water supplies such as groundwater or recycled wastewater. For some regions, these incentives could change future electricity planning and operational decisions. These relationships and impacts are studied here using the National Renewable Energy Laboratory (NREL) Regional Energy Deployment System (ReEDS), a national electric sector planning model that has recently been upgraded to include a highly detailed representation of thermal cooling water demand and supply. Thermal power technologies are differentiated by both cooling technology and water source type to track and constrain thermal cooling water use in a way that incorporates both physical and legal water considerations in the United States. This capability is exercised under a range of electricity sector futures with alternative technology costs, fuel prices, and water constraints to illustrate ways that U.S. electric sector water use could evolve under uncertain future electric sector drivers. In exploring changes to regional generation and transmission planning and operation, water requirements, and cost, we highlight the environmental and economic impacts of future power sector water decisions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Life cycle greenhouse gas emissions of ethanol produced via fermentation of sugars derived from shrub willow (Salix ssp.) hot water extraction in the Northeast United States

Abstract Background The amount of carbon dioxide in the atmosphere has been on the rise for more than a century. Bioenergy crops are seen by the Intergovernmental Panel on Climate Change as an essential part of the solution to addressing climate change. To understand the potential impact of shrub willow ( Salix spp . ) crop in the northeast United States, effective and transparent life cycle assessment of these systems needs to occur. Results Here we show, ethanol produced from the fermentation of sugars from hot water extract of willow grown on cropland can sequester 0.012 ± 0.003 kg CO 2eq MJ −1 for a supply system incorporating summer harvest and storage. Despite decreases in soil organic carbon when willow is instead grown on grassland, the produced fuel still can provide significant climate benefits compared to gasoline. Conclusions Shrub willow converted to ethanol can be a carbon negative source of transportation fuel when the electricity and heat required for the conversion process are generated from renewable biomass. The sequestration of carbon in the belowground portion of the plants is essential for the negative GHG balance for cropland and low GHG emissions in grassland.

10 SYNTHETIC FUELS↗

DOE OSTI2023

Modeling the Water Systems of the Western US to Support Climate‐Resilient Electricity System Planning

Abstract Electricity and water systems in the Western US (WUS) are closely connected, with hydropower comprising 20% of total annual WUS generation, and electricity related to water comprising about 7% of total WUS electricity use. Because of these interdependencies, the threat of climate change to WUS resources will likely have compounding electricity impacts on the Western Interconnect grid. This study describes a WUS‐wide water system model with a particular emphasis on estimating climate impacts on hydropower generation and water‐related electricity use, which can be linked with a grid expansion model to support climate‐resilient electricity planning. The water system model combines climatically‐driven physical hydrology and management of both water supply and demand allocation, and is applied to an ensemble of 15 climate scenarios out to 2050. Model results show decreasing streamflow in key basins of the WUS under most scenarios. Annual water‐related electricity use increases up to 4%, and by up to 6% during the summer months, driven by growing agricultural demands met increasingly through a shift toward energy‐intensive groundwater to replace declining surface water. Total annual hydropower generation changes by +5% to −20% by mid‐century but declines in most scenarios, with decreases in summer generation by up to nearly −30%. Water‐related electricity use increases tend to coincide with hydropower generation declines, annually and seasonally, demonstrating the importance of concurrently evaluating the climate signal on both water‐for‐energy and energy‐for‐water to inform planning for grid reliability and decarbonization goals.

13 HYDRO ENERGY↗

DOE OSTI2025

Supporting Information - How Can Crop Production Adapt to growing groundwater restrictions in the West?

Abstract This data plan outlines the structure and content of datasets generated and utilized in the research presented in the manuscript abstract. Groundwater overdraft has led to serious water supply issues in the US West. Most western states manage groundwater use through a permitting system, but California has only recently begun to restrict groundwater use statewide with the 2014 passage of groundwater restrictions which target the elimination of groundwater overdraft practices by 2042. With groundwater extraction curtailed, crop production in the US West (a $95 billion industry annually) will be affected, and appropriate response strategies will be needed to ensure minimal disruption to food production and the regional economy. In this paper, we explore the adoption of alternative adaptive responses: (a) deficit irrigation; (b) switching to less water-intensive crops; (c) changing the extent of irrigated land (including fallowing); and (d) geographically shifting crop production. Employing an integrated modeling approach, we explicitly capture the interactions and feedbacks between local hydrology, changes in crop yields, crop and land use decision-making, changes in crop prices, and regional shifts in crop production. We find that the optimal adaptive response is spatially heterogeneous and comprises a portfolio of strategies. Southwestern states and California will be the most impacted by groundwater restrictions. The optimal responses in these states are to both adopt deficit irrigation strategies and reduce a portion of their irrigated croplands, resulting in a shift in crop production to northwestern states with a larger supply of water. The datasets detailed in this repository represent the output from these integrated models, specifically designed to support the analysis and visualization presented in the manuscript and supplemental information. These datasets, used in conjunction with the scripts available at our associated GitHub repository (https://github.com/pches/Femeena_etal_How_can_crop_production_adapt), enable the reproduction of figures and facilitate a comprehensive understanding of the optimal adaptive strategies in agriculture for mitigating water stress under varying groundwater extraction scenarios, as outlined in the abstract.

DNDCe↗

DOE OSTI2025

Supporting Information - How Can Crop Production Adapt to growing groundwater restrictions in the West?

DNDCe↗

DOE OSTI2024

Impact of Geothermal District Heating System on Flexibility of Microgrid in Tuttle, Oklahoma: Preprint

Flexibility is the capability of the power grid to maintain a balance between electricity generation and variable demand. This study presents preliminary results evaluating the impact of geothermal district heating systems on the flexibility of a conceptual microgrid in Tuttle, Oklahoma. Heating demand profiles were modeled using EnergyPlus for the district that includes two schools and 250 single-family houses. Then, geothermal energy production was modeled using GEOPHIRES to estimate how much heating demand in the district can be supplied by five different geothermal system scenarios. The results indicated that geothermal energy production varied depending on the resource temperature at different depths, system configurations, and flow rates. For the grid flexibility analysis, electricity consumptions in the five geothermal systems were estimated for pump operations to circulate water from the wells to radiators, while electricity consumption by air-source heat pump in the base case was estimated to supply the same heating load. Electricity consumption in the geothermal systems was significantly lower than those in base cases. The electricity saved by the geothermal system was then incorporated into the microgrid electrical load profiles where variable renewable electricity generation is significantly high. The results visually showed that geothermal district heating system can improve grid flexibility as a baseload during the winter season. The results also highlighted potential opportunities to save energy costs that will be further analyzed in future study.

Cambium↗

DOE OSTI2025

Impact of Geothermal District Heating System on Flexibility of Microgrid in Tuttle, Oklahoma

Flexibility is the capability of the power grid to maintain a balance between electricity generation and variable demand. This study presents preliminary results evaluating the impact of geothermal district heating systems on the flexibility of microgrid in Tuttle, Oklahoma. Heating demand profiles were modeled using EnergyPlus for the district that includes two schools and 250 single-family houses. Then, geothermal energy production was modeled using GEOPHIRES to estimate how much heating demand in the district can be supplied by five different geothermal system scenarios. The results indicated that geothermal energy production varied depending on the resource temperature at different depths, system configurations, and flow rates. For the grid flexibility analysis, electricity consumptions in the five geothermal systems were estimated for pump operations to circulate water from the wells to radiators, while electricity consumption by air-source heat pump in the base case was estimated to supply the same heating load. Electricity consumption in the geothermal systems was significantly lower than those in base cases. The electricity saved by the geothermal system was then incorporated into the microgrid electrical load profiles where variable renewable electricity generation is significantly high. The results visually showed that geothermal district heating system can improve grid flexibility as a baseload during the winter season. The results also highlighted potential opportunities to save energy costs that will be further analyzed in future study.

Cambium↗