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Impacts of water scarcity on agricultural production and electricity generation in the Middle East and North Africa

Incorporating the interdependencies between water, energy and food (WEF) within an integrated approach of planning and management could help nations worldwide to address sustainability concerns. This is a topic of great importance for the Middle East and North Africa (MENA) region, where water is a very limited resource. In this study, we develop an analytical framework to analyze the water-energy-food nexus in the MENA region to inform the formulation of integrated strategies for water, energy and food activities. Our approach is based on an integrated assessment model for the MENA region, which explicitly represents WEF sectors within an economic framework, in tandem with a set of relevant scenarios addressing three key dimensions (socioeconomics, climate and water-management). Using this framework, our study analyzes the current and projected status of water resources in the region, and the potential implications for the agriculture and electricity sectors. Our scenarios demonstrate that water scarcity worsens by the end of the 21st century in most MENA countries, mostly due to growing demands. The impacts of growing scarcity on agriculture are significant, with production projected to drop by 60 percent by 2050 in some countries. On the other hand, and to a lesser extent, water-saving technologies and fuel-switching in the power sector play a key role in mitigating the effects of water scarcity on electricity generation in some parts of the MENA region. Our analysis then underscores the need to reduce the dependence of MENA’s agricultural and energy sectors on water, and transition to renewable energies to reduce water scarcity.

54 ENVIRONMENTAL SCIENCES↗

Expanding Accessibility of Energy Modeling in Hawaii

Engage is a free, publicly available web application for energy system modeling. It can augment the energy system planning process by empowering more stakeholders to understand energy system planning options. Engage is user-friendly, free accessible, collaborative, and communicative. The Hawaii Advanced Visualization Environment Nexus (HAVEN) is an outputs-based application for rendering high-impact communicative visualizations of complex data. Engage and HAVEN were developed in collaboration with the U.S. Department of Energy's National Renewable Energy Laboratory and the Hawaii State Energy Office. This use case provides an overview of Hawaii's use of Engage and HAVEN concurrently in working to meet the state's energy goals.

48 EE - Weatherization and Intergovernmental Progr↗

EMPOWER: Accelerating the Transformation of the Global Energy Economy - 2022 JISEA Annual Report

The 2022 JISEA Annual Report describes accomplishments from the past year at the Joint Institute for Strategic Energy Analysis, which is accelerating the transformation of the global energy economy. 2021 was filled collaboration and high-impact multidisciplinary projects, exploring everything from the energy-water-food nexus, to the cobalt supply chain, to sustainable communities. This year also welcomed the JISEA Catalyzers Initiative that is accelerating research capabilities at the National Renewable Energy Laboratory. The Catalyzers are empowering communities and research partners to by bringing together experts working within one space to discuss capabilities and future needs to continue to stay ahead of the research curve.

clean energy↗

Geographically Dependent Sustainability Indicators for Comparison of Conventional Vegetable Production to Controlled-Environment Agriculture

Many food system lifecycle analyses distill agricultural production and supply chain impacts into single-value sustainability metrics for various food categories. These studies provide an overview of the food supply system that highlight striking results such as the GHG impacts of meat production. The supply chain impacts of vegetable production occupy the middle ground; higher than average food loss and waste, lower than average overall energy use, etc. However, aggregated results obscure the sustainability implications of the location of food production, especially for vegetables. Moreover, the increasing instability of food production systems are not captured, as illustrated by a recent Washington Post article. According to a UC Merced study conducted for the state, California farmers left nearly 400,000 acres of agricultural land unplanted last year because of a lack of water. The result, the study found, was a direct economic cost to farmers of $1.1 billion and the loss of nearly 9,000 agricultural jobs. (The Washington Post, March 21, 2022.) Previous work quantified the food-energy-water nexus implications of transitioning vegetable production from large, centralized agricultural operations to smaller distributed production in controlled-environment farms (CEA). The importance of location-specific data is especially evident for water use. Water impacts of the food system are primarily local to the region where food is produced, water impacts vary significantly between locations, and water stress is a major concern in locations that currently host large agricultural operations. Location-specific data is needed to accurately assess the water impacts of transitioning to CEA. The location of farms in relation to consumers impacts transportation energy use, food loss and waste, and requirements for food processing (e.g., to reduce weight, preserve foods for long storage, and package foods to reduce damage and loss) Reducing transport is particularly relevant for agricultural products that could be grown in CEAs (fruits, vegetables, protein). Access to nutritious food is not evenly distributed in the population. Remote communities, communities in harsh environments, and economically-disadvantaged communities often have poor access to healthy foods. CEA is ideally suited to these environments. However, the energy and water use of CEA, while in many respects lower overall than conventional supply chains, are concentrated within communities and could have significant local impacts. This paper reports on development of sustainability metrics that seek to capture the tradeoffs between the current supply chain and a CEA supply chain for vegetables; focusing on the location-dependent implications of water use, the transition from largely fossil fuel based energy use to electricity, and the food access, resilience and wellbeing implications of urban versus rural food production.

controlled-environment agriculture↗

A Progress Report on Metal–Sulfur Batteries

Nonaqueous conversion-reaction sulfur chemistry has been attracting increasing attention over the past decade for the development of next-generation lithium-based batteries. Li–S batteries are currently approaching a nexus stage from lab-scale experiments to possible pragmatic applications. Inspired by the success of Li–S chemistry, other metal–sulfur batteries with a variety of metallic anodes, such as sodium, potassium, magnesium, calcium, and aluminum, have also started to attract attention. In comparison to lithium, Na, Mg, Al, K, and Ca are naturally more abundant and affordable. The Na-S, Mg-S, Al-S, K-S, and Ca-S battery systems provide a great potential for improving the volumetric energy density of sulfur-based batteries. The multivalent metal-sulfur systems, Mg-S, Al-S, and Ca-S, offer better safety features as well. However, the research and development on Na-S, Mg-S, Al-S, K-S, and Ca-S batteries is far behind the Li–S system due to many critical challenges. In this progress report, the fundamental principles of various metal–sulfur chemistries are first presented and compared. Then, the historical progress, recent advances, and key challenges of the Li–S, Na-S, Mg-S, Al-S, K-S, and Ca-S systems are summarized and discussed. Finally, future efforts and directions for both the fundamental and practical research are prospected.

25 ENERGY STORAGE↗

High-Speed Ionic Synaptic Memory Based on 2D Titanium Carbide MXene

Synaptic devices with linear high-speed switching can accelerate learning in artificial neural networks (ANNs) embodied in hardware. Conventional resistive memories however suffer from high write noise and asymmetric conductance tuning, preventing parallel programming of ANN arrays. Electrochemical random-access memories (ECRAMs), where resistive switching occurs by ion insertion into a redox-active channel, aim to address these challenges due to their linear switching and low noise. ECRAMs using 2D materials and metal oxides however suffer from slow ion kinetics, whereas organic ECRAMs enable high-speed operation but face challenges toward on-chip integration due to poor temperature stability of polymers. Here, ECRAMs using 2D titanium carbide (Ti 3 C 2 T x ) MXene that combine the high speed of organics and the integration compatibility of inorganic materials in a single high-performance device are demonstrated. These ECRAMs combine the speed, linearity, write noise, switching energy, and endurance metrics essential for parallel acceleration of ANNs, and importantly, they are stable after heat treatment needed for back-end-of-line integration with Si electronics. The high speed and performance of these ECRAMs introduces MXenes, a large family of 2D carbides and nitrides with more than 30 stoichiometric compositions synthesized to date, as promising candidates for devices operating at the nexus of electrochemistry and electronics.

2D materials↗

Engineering In Situ Catalytic Cleaning Membrane Via Prebiotic-Chemistry-Inspired Mineralization

Pressure-driven membrane separation promises a sustainable energy-water nexus but is hindered by ubiquitous fouling. Natural systems evolved from prebiotic chemistry offer a glimpse of creative solutions. Herein, a prebiotic-chemistry-inspired aminomalononitrile (AMN)/Mn 2+ -mediated mineralization method is reported for universally engineering a superhydrophilic hierarchical MnO 2 nanocoating to endow hydrophobic polymeric membranes with exceptional catalytic cleaning ability. Green hydrogen peroxide catalytically triggered in-situ cleaning of the mineralized membrane and enabled operando flux recovery to reach 99.8%. The mineralized membrane exhibited a 9-fold higher recovery compared to the unmineralized membrane, which is attributed to active catalytic antifouling coupled with passive hydration antifouling. Electron density differences derived from the precursor interaction during mediated mineralization unveiled an electron-rich bell-like structure with an inner electron-deficient Mn core. This work paves the way to construct multifunctional engineered materials for energy-efficient water treatment as well as for diverse promising applications in catalysis, solar steam generation, biomedicine, and beyond.

36 MATERIALS SCIENCE↗

Advancing the understanding of coastal disturbances with a network-of-networks approach

Coastal ecosystems are at the nexus of many high priority challenges in environmental sciences, including predicting the influences of compounding disturbances exacerbated by climate change on biogeochemical cycling. Extreme events such as hurricanes, flooding, landslides, and wildfires influence biogeochemical cycling in these systems. However, while research in coastal science is fundamentally transdisciplinary – as drivers of biogeochemical and ecological processes often span scientific and environmental domains – traditional place-based approaches are still often employed to understand coastal ecosystems. In this perspective, we argue that integration among distributed research sites from a macrosystem perspective is crucial to understand how compounding disturbances affect coastal ecosystems. We identify a roadmap for the implementation of an integrated network-of-networks framework that leverages existing research network sites in coastal ecosystems to advance continental-scale process understanding for studying extreme events and global change. We also identify specific ways that existing research efforts can maximize mutual benefit, and where additional infrastructure investments might increase return-on-investment along the coast, using the coastal continental US as a case study.

Myers-Pigg, Allison N. [BATTELLE (PACIFIC NW LAB)]↗

Benchmark Dose Analysis of DNA Damage Biomarker Responses Provides Compound Potency and Adverse Outcome Pathway Information for the Topoisomerase II Inhibitor Class of Compounds

Genetic toxicology data have traditionally been utilized for hazard identification to provide a binary call for a compound's risk. Recent advances in the scientific field, especially with the development of high‐throughput methods to quantify DNA damage, have influenced a change of approach in genotoxicity assessment. The in vitro MultiFlow® DNA Damage Assay is one such method which multiplexes γH2AX, p53, phospho‐histone H3 biomarkers into a single‐flow cytometric analysis (Bryce et al., [2016]: Environ Mol Mutagen 57:546–558). This assay was used to study human TK6 cells exposed to each of eight topoisomerase II poisons for 4 and 24 hr. Using PROAST v65.5, the Benchmark Dose approach was applied to the resulting flow cytometric datasets. With “compound” serving as covariate, all eight compounds were combined into a single analysis, per time point and endpoint. The resulting 90% confidence intervals, plotted in Log scale, were considered as the potency rank for the eight compounds. The in vitro MultiFlow data showed a maximum confidence interval span of 1Log, which indicates data of good quality. Patterns observed in the compound potency rank were scrutinized by using the expert rule‐based software program Derek Nexus, developed by Lhasa Limited. Compound sub‐classification and structural alerts were considered contributory to the potencies observed for the topoisomerase II poisons studied herein. The Topo II poison Adverse Outcome Pathway was evaluated with MultiFlow endpoints serving as Key Events. The step‐wise approach described herein can be considered as a foundation for risk assessment of compounds within a specific mode of action of interest. Environ. Mol. Mutagen. 2020. © 2020 Wiley Periodicals, Inc.

Wheeldon, Ryan P.↗

The 2025 “Hacking Limnology” Workshop Series and DSOS Virtual Summit: A Half Decade of Data‐Intensive Aquatic Science

The 5th Aquatic Ecosystem MOdeling Network—Junior (AEMON-J) “Hacking Limnology” Workshop and 6th Virtual Summit: Incorporating Data Science and Open Science in the Aquatic Sciences (DSOS) convened 21–25 July 2025. As in previous years (Fig. 1; Meyer and Zwart 2020; Meyer et al. 2021b, 2021c, 2022, 2024), the virtual workshops and summit were free of charge, the content was formatted to allow for broad engagement from a globally distributed audience, and workshop materials and recordings were made available on the AEMON-J/DSOS archive (Meyer et al. 2021a). In contrast to previous years, which primarily focused on inland aquatic ecosystems, this year's workshops and summit showcased a notable plurality of ecosystem types, with workshops spanning marine, riverine, and lacustrine environments. The weeklong event brought together researchers and practitioners interested in the nexus of data science, open science, and the aquatic sciences, hosting between 47 and 65 attendees at a single time and a higher number of registrants (n = 389), who might opt to access the material asynchronously.

Meyer, Michael F. [US Geological Survey, Portland,↗

Domain-Specific Type-Safe APIs for Hierarchical Scientific Data with Modern C++

General-purpose library application programming interfaces (APIs) for self-describing hierarchical scientific data storage, such as the HDF5 and NetCDF libraries, are traditionally of runtime nature. Runtime errors for entry existence and data types are typically caught later in the development process of higher-level application-specific APIs. In this paper, we propose exploiting modern C++ metaprogramming features to add compile-time type-safety to improve the interaction with a well-defined metadata-rich scientific schema in domain-specific hierarchical datasets. We tackle two aspects of common use: (i) direct data access, (ii) flexible “in-memory” index models for efficient search and data processing. The proposed APIs use C++17’s template type auto deduction features, C++11’s enum class for type-safety and C-style preprocessor macros for generative templated code. We showcase the pros and cons of our initial work on the standard NeXus schema used for annotating and storing experimental neutron scattering data at several facilities around the world on top of HDF5. Extendable compile-time type-safe APIs are a desirable feature that could be indexed by any modern integrated development environment (IDE). Hence, such APIs can help ease the learning curve for domain scientists using a less error-prone software interaction to enhance the findability of their data without resorting to a domain-specific language (DSL).

Godoy, William↗

Accelerated screening of functional atomic impurities in halide perovskites using high-throughput computations and machine learning

The pressing need for novel materials that can serve rising demands in solar cell and optoelectronic technologies makes the nexus of halide perovskites, high-throughput computations, and machine learning, very promising. Ever increasing amounts of data on the structure, fundamental properties, and device performance of halide perovskites provide opportunities for learning chemical rules and design principles that make these materials attractive, and applying them across wide chemical spaces. In this work, we show that impurity properties of halide perovskites computed using density functional theory (DFT) can be combined with machine learning (ML) to deliver predictive models and quick identification of optoelectronically active impurity atoms. Our computation lead to the largest reported dataset of the formation energies and charge transition levels of Pb-site impurities in methylammonium lead halide (MAPbX 3 ) perovskites. Descriptors are defined to uniquely represent any impurity atom in any MAPbX 3 compound and mapped to the computed impurity properties using regression techniques such as Gaussian process regression, neural networks, and random forests. We use the best optimized predictive models to make predictions for hundreds of impurities across 9 MAPbX 3 compounds and create lists of dominating impurities, that is, impurities that can shift the equilibrium Fermi level in the perovskite as determined by native point defects. Finally, this accelerated screening powered by computations and machine learning can guide the identification of problematic impurities that may cause undesired recombination of charge carriers, as well as impurities that can be deliberately introduced to tune the perovskite conductivity and resulting photovoltaic absorption.

36 MATERIALS SCIENCE↗

Host analysis-guided selection and targeted engineering (HASTE) of Lipomyces tetrasporus for the conversion of CO2-derived feedstocks

Efficient and cost-competitive bioproduction calls for utilizing CO2-derived feedstocks, such as products from electro-reduction of CO2 and hydrolysate from lignocellulosic biomass. However, efficiently using all their carbon components, including acetate, glucose, and xylose, remains a challenge. Here, we characterize Lipomyces tetrasporus, a novel, robust yeast strain capable of effectively assimilating these carbon sources. We used an integrated systems biology approach combining ¹³C metabolic flux analysis, dynamic labeling experiments, and RNA sequencing. We conducted the first metabolic flux analysis for glucose, xylose, and acetate catabolism in this species. Dynamic labeling revealed a highly active TCA cycle during acetate metabolism, evidenced by rapid citrate and malate accumulation. The strain demonstrated strong NADH/NADPH production and acetyl-CoA synthase activity. Using insights and gene targets from this analysis, we engineered L. tetrasporus for malate production. The engineered strain produced 7.5 g/L malic acid (0.25 g/g yield) in shake flasks with glucose-acetate media and 28.8 g/L malic acid at a yield of 0.20 g/g in fed-batch mode with corn-stover hydrolysate. Together, these insights and rational strain engineering establish L. tetrasporus as a versatile, Crabtree-negative platform that is an energy-CO2-bioproduction nexus for channeling CO2 carbon into value-added bioproducts.

Xiao, Zhengyang↗

Multistage Stochastic optimization for mid-term integrated generation and maintenance scheduling of cascaded hydroelectric system with renewable energy uncertainty

The uncertainties resulting from the escalating penetration of renewable energy resources pose severe challenges to the efficient operation of modern power systems. Hydroelectricity is characterized by its flexibility, controllability, and reliability, and thus becomes one of the most ideal energy resources to hedge against such uncertainties. This paper studies the mid-term integrated generation and maintenance scheduling of a cascaded hydroelectric system (CHS) consisting of multiple cascaded reservoirs and hydroelectric units. To precisely describe the mid-term water regulation policies, the hydraulic coupling relationship and water-energy nexus of CHS are incorporated into the proposed optimization model. The uncertainties of natural water inflow and the power outputs of wind/solar energy generation are taken into consideration and captured via a stochastic process modeled by a scenario tree. A multistage stochastic optimization (MSO) approach is developed to coordinate the complementary operations of multiple energy resources, by optimizing the mid-term water resource management, generation scheduling, and maintenance scheduling of CHS. The proposed MSO model is formulated as a large-scale mixed-integer linear program that presents significant computational intractability. To address this issue, a tailored Benders decomposition algorithm is developed. Two real-world case studies are conducted to demonstrate the capability and characteristics of the proposed model and algorithm. The computational results show that the proposed MSO model can exploit the flexibility of hydroelectricity to efficiently respond to variable wind and solar power, and reserve water resources for the generation in peak months to reduce the consumption of fossil fuel. Furthermore, the proposed solution approach also exhibits promising computational efficiency when handling large-scale models.

13 HYDRO ENERGY↗

Synergistic foam stabilization and transport improvement in simulated fractures with polyelectrolyte complex nanoparticles: Microscale observation using laser etched glass micromodels

Inaccessibility to direct pore scale observation in hydrocarbon recovery of tight shale formations poses a great challenge to water-energy nexus initiatives and necessitates the use of high throughput technologies to emulate environmentally friendly processes. Herein, we employ a precise glass micromodel fabrication and visualization method to isolate the supercritical CO 2 bubbles surrounded by CO 2 -water lamella prepared in saline produced water stabilized with molecular complexation of zwitterionic surfactants (ZS) and polyelectrolyte complex nanoparticles (PECNP). The Selective Laser Enhanced Etching (SLE) technique was selected for micromodel simulation of high-pressure flow. Two representative designs, (1) fracture/micro-crack network 28 and (2) fracture/matrix were etched on fused silica glass with a laser printing machine and scCO 2 foam was injected to study the foamability, propagation, stability, and fluid loss properties. The highly monodispersed and uniformly distributed array of scCO 2 bubbles were detected in flow of scCO 2 foam in highly saline brine containing ionic complexes of positively charged PECNPs and ZS, whereas foam flow with the lamella containing ZS in fractures offered a noticeably large and polydisperse array of scCO 2 bubbles. scCO 2 bubble motion and deformation were traced, and local description of foam flow was visually examined. The confined array of scCO 2 bubbles stabilized by ZS in microcracks was affected by bubble growth and coalescence, whereas the super-populated array of monodispersed scC O2 bubbles with lamella containing complexes of PECNP and ZS were able to fill the channels with stable configurations within the timeframe of comparative stability measurements. The ability of complex fluid to prevent the formation damage was evaluated through fluid loss visualization in micromodels. Probing scCO 2 foam transport in homogenous porous media revealed smaller volume leak-off for scCO 2 foam containing PECNP-ZS ionic complexes.

04 OIL SHALES AND TAR SANDS↗

Impacts and emerging research opportunities in Vehicle-Grid Integration for transportation: A review

This review provides a comprehensive examination of Vehicle-Grid Integration (VGI) technologies and their impacts on transportation systems, with a particular emphasis on the transportation-energy nexus. It systematically explores how VGI affects key transportation applications such as charging infrastructure planning, electric vehicle (EV) routing, smart charging coordination, shared mobility, and dynamic pricing. By synthesizing recent literature from both transportation and energy systems perspectives, this study highlights how advanced methodologies, such as reinforcement learning, game theory, and optimization techniques, are used to model the complex interactions between EVs, mobility patterns, and distributed energy systems. Furthermore, the review also identifies critical challenges, including behavioral factors, data limitations, and system scalability. Drawing on these insights, the paper outlines emerging research opportunities to support the design of integrated, resilient, and user-centric VGI solutions that advance sustainable mobility and energy system efficiency.

Charging coordination↗

Single Entity Electrochemistry in Nanopore Electrode Arrays: Ion Transport Meets Electron Transfer in Confined Geometries

Electrochemical measurements conducted in confined volumes provide a powerful and direct means to address scientific questions at the nexus of nanoscience, biotechnology, and chemical analysis. How are electron transfer and ion transport coupled in confined volumes and how does understanding them require moving beyond macroscopic theories? Also, how do these coupled processes impact electrochemical detection and processing? We address these questions by studying a special type of confined-volume architecture, the nanopore electrode array, or NEA, which is designed to be commensurate in size with physical scaling lengths, such as the Debye length, a concordance that offers performance characteristics not available in larger scale structures. The experiments described here depend critically on carefully constructed nanoscale architectures that can usefully control molecular transport and electrochemical reactivity. We begin by considering the experimental constraints that guide the design and fabrication of zero-dimensional nanopore arrays with multiple embedded electrodes. These zero-dimensional structures are nearly ideal for exploring how permselectivity and unscreened ion migration can be combined to amplify signals and improve selectivity by enabling highly efficient redox cycling. Our studies also highlight the benefits of arrays, in that molecules escaping from a single nanopore are efficiently captured by neighboring pores and returned to the population of active redox species being measured, benefits that arise from coupling ion accumulation and migration. These tools for manipulating redox species are well-positioned to explore single molecule and single particle electron transfer events through spectroelectrochemistry, studies which are enabled by the electrochemical zero-mode waveguide (ZMW), a special hybrid nanophotonic/nanoelectronic architecture in which the lower ring electrode of an NEA nanopore functions both as a working electrode to initiate electron transfer reactions and as the optical cladding layer of a ZMW. Furthermore, while the work described here is largely exploratory and fundamental, we believe that the development of NEAs will enable important applications that emerge directly from the unique coupled transport and electron-transfer capabilities of NEAs, including in situ molecular separation and detection with external stimuli, redox-based electrochemical rectification in individually encapsulated nanopores, and coupled sorters and analyzers for nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chemical Challenges that the Peroxide Dianion Presents to Rechargeable Lithium–Air Batteries

Understanding the fundamental redox reactions and processes that occur in lithium–air and, more generally, metal–air batteries is important to the progress of this promising energy-storage technology. Knowledge of the chemistry of the peroxide dianion, O 2 2– , is especially crucial, as the dianion is at the nexus of the charge/discharge cycle of lithium–air batteries. The intrinsic electron transfer properties and redox chemistry of peroxide dianion are poorly defined because it is difficult to isolate the dianion free of protons and metal ions. We review the results of (i) the electron transfer kinetics and (ii) the redox reaction chemistry of isolated peroxide dianion encapsulated within the cavity of a hexacarboxamide cryptand. With regard to the former, electron transfer kinetics measurements provide fundamental Marcus parameters that will be useful for models that seek to disentangle the precise contributions of Li + ion-coupled electron transfer, electron transfer across the Li 2 O 2 solid particle interface, and charge hopping among Li 2 O 2 particles. With regard to the latter, an underappreciated chemistry of peroxide dianion with CO 2 produces peroxymonocarbonate (OOCO 2 2– ) and peroxydicarbonate (O 2 COOCO 2 2– ). An autocatalytic cycle will lead to oxidative degradation of traditional organic electrolytes and other vulnerable cell components employed in lithium–air batteries. Furthermore, this peroxycarbonate-derived chemistry, in addition to more commonly recognized solution-based oxidation chemistry, will need to be mitigated to realize the long-term cyclability of rechargeable lithium–air batteries.

25 ENERGY STORAGE↗