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DOE OSTI2021

Recent developments in Pt–Co catalysts for proton-exchange membrane fuel cells

Development of Pt-based oxygen reduction reaction catalysts with high efficiency and high durability is central to the application of proton-exchange membrane fuel cell systems. Pt–Co bimetallic catalysts have drawn extensive attention owing to their capability of delivering high performance and long lifetime for fuel cell applications including light-duty and heavy-duty vehicles. However, further improvements in durability and performance are needed to meet market requirements. To fully exploit the potential of Pt–Co catalysts, new insights into the relationship between catalyst properties and fuel cell performance and durability are needed, and more effective methods to tailor the features of Pt–Co catalysts need to be developed. This review provides a summary and perspective on recent efforts, including work on customizing the Pt shell and Pt:Co ratio, tailoring the crystal structure, and improving carbon support properties, with a particular emphasis on mechanisms leading to enhancement of mass activity, power density, and durability in membrane electrode assembly testing.

25 ENERGY STORAGE↗

DOE OSTI2023

Mathematical Programming Models for Shale Oil & Gas Development: A Review and Perspective

Here, in this paper, we provide a comprehensive review of mathematical programming models for shale oil & gas development, and we offer a perspective on outstanding research opportunities. We distinguish contributions in five major topic areas, namely: (1) development planning, (2) water management, (3) production optimization, (4) supplies, gathering & processing, and (5) life cycle analysis & sustainability. We highlight how various types of mathematical programming models (i.e., linear programs, nonlinear programs, mixed-integer linear programs, mixed-integer nonlinear programs) have been proposed primarily by the Process Systems Engineering community to address the respective decision-making problems, and we highlight instances of successful deployment in industry. Finally, based on a critical assessment of the existing body of work, we identify opportunities for future research across the major topic areas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Recent and future developments in pultrusion technology with consideration for curved geometries: A review

Herein this paper examined the current state and future developments in pultrusion with particular emphasis on its application in curved part manufacturing. The relationship between factors such as resin chemistry, fiber characteristics, and die geometry that influences the properties of pultruded product were highlighted. Moreover, the specific challenges associated with pultruding curved parts such as the complexities in achieving uniformity and structural integrity in such geometries were discussed. The review emphasized mold design, process improvement, adaptive control systems for precise resin impregnation and material selection to address these challenges. Additionally, the paper suggests the integration of real-time monitoring and data analytics as ways to enhance quality control during curved parts pultrusion. These advancements will help to overcome challenges specific to curved pultrusion and make the process more efficient. Other manufacturing techniques such as filament winding, thermoforming, pulforming were mentioned as alternatives to curved parts pultrusion. The review also explores pultruded variable curvature processes, highlighting some notable patents and article related to this subject matter. Production of pultruded variable curvature parts was seen as a key driver that can shape the future of pultrusion. Finally, the paper anticipates future trends, with sustainability, customization, integration of advanced materials, and development of techniques for pultrusion of composites parts.

42 ENGINEERING↗

DOE OSTI2018

Toward the development of performance-related specification for bio-rejuvenators

The use of reclaimed asphalt pavement (RAP) and recycled asphalt shingles (RAS) has many benefits. However, premature cracking has become a serious concern for mixes containing RAP/RAS. Recently, a variety of bio-rejuvenators have been developed to address the premature cracking issue. However, there is no purchasing specification available for bio-rejuvenators. Here, this paper presents the efforts made toward the development of performance-related specification for bio-rejuvenators. A total of eight bio-rejuvenators including seven commercial bio-rejuvenators and one recycled vegetable oil, were evaluated in this study. Their chemical and rheological properties and aging characteristics were measured. In addition, the effectiveness of the eight bio-rejuvenators in improving low temperature property of (recycled) asphalt binders was investigated.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Pore structure development during hydration of tricalcium silicate by X-ray nano-imaging in three dimensions

We report that tricalcium silicate (C 3 S) is the most important component among the four main clinker phases of Portland cement. Pure C 3 S is widely used as a simplified model system of cement in various researches. However, the spatial structure development of cement, even pure C 3 S during hydration at the nano-scale has been rarely directly reported. In this work, X-ray nano-computed tomography (X-ray Nano-CT), a non-destructive X-ray analytical method, was used to study the hydration of a pure C 3 S sample with a water/C 3 S mass ratio of 0.5. The three-dimensional (3D) structure of the hydrating C 3 S specimen was investigated to see the internal pore structure evolution within the hardened C 3 S paste. Investigation of the 3D structural development of the C 3 S specimen at different hydration times was performed to monitor the changes of pore shapes and sizes/volumes. Lastly, it is found that volumes of the sealed pores generally grow larger, and the open pores become smaller while the volume and the external morphology of the whole hardened C 3 S paste remains almost the same during hydration.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Development of high-early-strength fiber-reinforced self-compacting concrete

High-early-strength fiber-reinforced self-compacting concrete (FRSCC) is a practical material for the precast concrete industry to double its production capacity. In this study, we developed high-early-strength FRSCC mixtures that achieved a compressive and flexural strength of at least 24 MPa and 3.5 MPa, respectively, at 6 h, using commercially available components, typical mixing procedures, and air curing. A mix design process was developed based on the literature and experimental results. The effect of six different fiber reinforcements on the fresh and mechanical properties of concrete was analyzed. The cost limit was set at 523 USD/m 3 to make the concrete mix cost-effective.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Recent developments of oleaginous yeasts toward sustainable biomanufacturing

Oleaginous yeast are remarkably versatile organisms, distinguished by their natural capacities to accumulate high levels of neutral lipids and broad substrate range. With recent growing interests in engineering non-model organisms as superior biomanufacturing platforms, oleaginous yeasts have emerged as promising chassis for oleochemicals, terpenoids, organic acids, and other valuable products. Advancement in systems biology along with genetic tool development have significantly expanded our understanding of the metabolism in these species and enabled engineering efforts to produce biofuels and bioproducts from diverse feedstocks. This review examines the latest technical advances in oleaginous yeast research toward sustainable biomanufacturing. We cover recent developments in systems biology-enabled metabolism understanding, genetic tools, feedstock utilization, and strain engineering approaches for the production of various valuable chemicals.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

A red algal polysaccharide influences the multicellular development of the choanoflagellate Salpingoeca rosetta

The choanoflagellate Salpingoeca rosetta exemplifies the capacity of marine microeukaryotes to integrate environmental cues into their life histories. Some of the cues that S. rosetta detects are lipids from their bacterial prey that induce the development of multicellular colonies called rosettes. In the aquatic environments where S. rosetta would encounter bacterial cues, microbial communities gain refuge and food from algae. For example, microbes in coastal environments benefit from macroalgae that annually release ∼10 14 g of carbon, primarily in the form of polysaccharides that comprise ∼80% of dissolved organic carbon in surface waters. Despite the ecological impact of algae and historical descriptions of choanoflagellates attached to algae, the influence of algae on choanoflagellate life history transitions has remained unexplored. Here, we report that porphyran, a polysaccharide produced by the red macroalga Porphyra umbilicalis, induces multicellular development in S. rosetta. We first noticed this response when S. rosetta formed multicellular rosette colonies while growing in media prepared from P. umbilicalis, even though rosette-inducing bacteria were absent. By biochemically purifying extracts of P. umbilicalis, we identified porphyran as the rosette-inducing factor. This response provides a biochemical insight that indicates algal polysaccharides may serve as cues to mediate associations between choanoflagellates and algae. Moreover, this observation complements evidence from environmental and geochemical studies that show the impact that algae have exerted on the ecology and evolution of eukaryotes, including a rise in algal productivity during the origin of animals, the closest living relatives of choanoflagellates.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Development of physics-consistent conditional diffusion model to overcome data scarcity in critical heat flux

Deep generative modeling provides a powerful pathway to overcome data scarcity in energy-related applications where experimental data are often limited. By learning the underlying probability distribution of the training dataset, deep generative models, such as the diffusion model, can generate high-fidelity synthetic samples that statistically resemble the training data. Such synthetic data generation can significantly enrich the size and diversity of the available training data, and more importantly, improve the robustness of downstream machine learning models in predictive tasks. The objective of this paper is to investigate the effectiveness of diffusion models for overcoming data scarcity in nuclear energy applications. By leveraging a public dataset on critical heat flux which covers a wide range of commercial nuclear reactor operational conditions, we developed a diffusion model that can generate an arbitrary amount of synthetic samples. Since a vanilla diffusion model can only generate samples randomly, we also developed a conditional diffusion model capable of generating targeted critical heat flux data under user-specified thermal-hydraulic conditions. The performance of the diffusion model was evaluated based on its ability to capture empirical feature distributions and pair-wise correlations, as well as to maintain physical consistency. The results showed that both the diffusion model and conditional diffusion model can successfully generate realistic and physics-consistent critical heat flux data. Furthermore, uncertainty quantification results demonstrate that the conditional diffusion model is highly effective in augmenting critical heat flux data while maintaining acceptable levels of uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Development blind spots and environmental impact assessment: Tensions between policy, law and practice in Brazil's Xingu river basin

This paper explores the tensions involved in Environmental Impact Assessments (EIAs) and environmental licensing through a detailed analysis of the legal disputes and public contestations surrounding two projects, a large hydroelectric dam and a gold mine, which are proximately located to each other. Broadly, we argue that EIAs may function to reinforce rather than genuinely inform or potentially resist prevailing developmental logics. The research extends David Mosse's argument that development self-perpetuates “success” through participation and procedural licensing mechanisms while on-the-ground realities diverge significantly. It offers a critical examination of EIA utility and processes through identifying three general mechanisms within EIA and environmental licensing procedures that contribute to approval of projects and promote a perception of their legitimacy, while detracting from the intended purposes of EIAs as opportunities for meaningful public discussion and sustainability-oriented decision making. These mechanisms include discourses that entrench project necessity and make them appear inevitable, public participation, and the isolated treatment of related projects. This work situates an understanding of particular EIAs within a deeper process of regional territorial development and resource extraction.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

The ecosystem approach in ecological impact assessment: Lessons learned from windfarm developments on peatlands in Scotland

Highlights: • Recent wind energy projects in Scotland mostly fail to consider ecosystem-level impacts on peatland. • Projects on peatland illustrate the usefulness of an ecosystem approach to Environmental Impact Assessment. • Defining more meaningful functional management units can improve Environmental Impact Assessment outcomes. • VAn ecosystem approach could also improve ecosystem services assessments. - Abstract: The Ecosystem Approach introduced in 1994 through the Convention on Biological Diversity, together with related Ecosystem-based Management and Landscape Approaches, are frequently called upon to improve ecological impact assessment. Current practice typically does not have such a systems focus and we explore the potential for explicitly adopting an Ecosystem Approach in the Environmental Impact Assessment process using wind energy development on peatland, in Scotland, as a case study. Based on a review of 21 windfarm projects (>50 MW) approved by the Scottish Government we provide an overview of current practice and identify and discuss how the 12 principles of the Ecosystem Approach can help identify options for more appropriate impact assessment. These include defining functional units of analysis that reflect the spatial and temporal linkages of peatland elements through hydrological connections, rather than a focus on individual vegetation types and simple distance buffers. Our conclusions are not limited to peatland and are relevant wherever meaningful functional management units can be defined, including in marine environments. Our results also show that environmental statements for wind energy development in Scotland largely ignore ecosystem services and the people that benefit from them. As for threatened species and other biodiversity features, an Ecosystem Approach is a prerequisite to the meaningful inclusion of ecosystem services in impact assessment.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Along-the-channel modeling and analysis of PEFCs at low stoichiometry: Development of a 1+2D model

Water management remains a key challenge in polymer-electrolyte fuel cells. In this paper, a pseudo 3-D (1+2D) model is developed to account better for changes of water management along the channel, as well as verify the possibilities of using differential cells for data capture and translation to integral cell performance. An accurate 2-D membrane-electrode-assembly model is developed for differential cell modeling, which is combined with an along-the-channel stepping algorithm to account for down the channel changes in pressure, temperature, reactant concentration, and relative humidity. Variations in cell performance along the channel due to changes in operating conditions are characterized quantitatively and optimized, where drier feed conditions demonstratively require such an approach. In conclusion, the study identifies gaps between differential and integral cells including those related to flow velocity and highlights the need for better models to understand and link integral cell performance and water management.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2018

A novel Variable Refrigerant Flow (VRF) heat recovery system model: Development and validation

As one of the latest emerging HVAC technologies, the Variable Refrigerant Flow (VRF) system with heat recovery (HR) configurations has obtained extensive attention from both the academia and industry. Compared with the conventional VRF systems with heat pump (HP) configurations, VRF-HR is capable of recovering heat from cooling zones to heating zones and providing simultaneous cooling and heating operations. Moreover, this could lead to substantial energy saving potential and more flexible zonal control. In this paper, a novel model is developed to simulate the energy performance of VRF-HR systems. It adheres to a more physics-based development with the ability to simulate the refrigerant loop performance and consider the dynamics of more operational parameters, which is crucial for representing more advanced control logics. Another key feature of the model is the introduction of component-level curves for indoor units and outdoor units instead of overall performance curves for the entire system, and thus it requires much fewer user-specified performance curves as model inputs. The validation study reflects good agreements between the simulated energy use from the new VRF-HR model and the laboratory measurement data across all operational modes at sub-hourly time steps. The model has been adopted in the official release of the EnergyPlus simulation program since Version 8.6, which enables more accurate and robust assessments of VRF-HR systems to support their applications in energy retrofit of existing buildings or design of zero-net-energy buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Development and field demonstration of residential air source integrated heat pump using a three-stage compressor

To promote decarbonization and all electrification at residential sectors, it is necessary to use air source heat pumps (ASHPs) to replace natural gas for space heating and water heating. ASHPs are widely utilized for residential space cooling, heating, and water heating due to their simplicity and cost-effectiveness. However, their performance can be compromised in cold climates, where they may experience reduced heating capacity. A multi-functional heat pump, using a single compressor, to meet all home space conditioning and water heating demands, is an emerging technology. To address this limitation, we have developed and demonstrated an air source integrated heat pump to fulfill comprehensive home comfort requirements. This system employs a three-stage compressor and a single set of heat exchangers and valves, optimizing functionality while minimizing costs. The performance of the developed system was rigorously evaluated in both laboratory and field settings. In laboratory conditions, the system achieved a Seasonal Energy Efficiency Ratio of 17.0 (average COP of 4.98) and a Heating Seasonal Performance Factor of 11.0 (3.22). Additionally, in its most efficient operational mode—combining space cooling and water heating—the unit attained a total energy efficiency exceeding 7.0 seasonal COP in the field and could heat a 189-liter tank of water in just 25 min. The field study corroborated the laboratory findings, validating the system’s performance in real-world conditions. Here, this integrated heat pump represents an ideal solution for decarbonizing homes in northern climates by providing efficient space heating and water heating, thereby replacing the need for natural gas.

Integrated heat pump↗

DOE OSTI2019

Development of a topology analysis tool for fifth-generation district heating and cooling networks

Fifth generation district heating and cooling networks are characterized by supply temperatures in the ambient range of 15-25 degrees C, which not only reduces heat loss but also allows for integrating various kinds of low-temperature waste heat sources. The ability of these networks to absorb waste heat that is normally unrecoverable makes them an attractive solution for the future energy supply of urban areas. To enhance the adoption of these networks, this paper describes the development of a software tool to analyze the feasibility of fifth-generation of district heating and cooling systems in both new and existing districts. The research attempts to answer the question: 'Which buildings should be connected to a low-temperature hydraulic network given both the incremental benefits and costs relative to the scenario of decentralized (dedicated) heating and cooling systems for each building?' Therefore, all possible network layouts of the buildings are considered where the heating and cooling demands of each building are met by the fifth-generation of district heating and cooling network. For the heating and cooling load characterization of the buildings, reduced-order models are used while renewable energy and waste heat sources are included in the network. The focus of the research lies in the development of a hydraulic model for flexible use in the urban energy modeling and the optimization of the fifth-generation of district heating and cooling network topology for a given urban district. This research displays simulation results that quantify the performance of the fifth-generation of district heating and cooling network based on various output metrics, including primary energy usage, carbon dioxide emissions, and network implementation cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Novel thermal energy storage component: Development, performance, and phase transition diagnosis

Thermal energy storage (TES) using phase change materials (PCMs) is a promising technology for capturing and storing excess thermal energy for later use. However, challenges such as poor heat transfer efficiency and a lack of modular, scalable designs have limited widespread adoption of TES in real-world applications. This study developed and evaluated modular brick-type and blade-type TES prototypes featuring an aluminum housing, an embedded serpentine coil for active or passive thermal exchange, and a cost-effective metal mesh to enhance PCM thermal conductivity. The blade-type TES achieved notable geometric efficiency, with a thickness-to-length ratio of 0.03 and a thickness-to-width ratio of 0.08, enabling highly compact and modular thermal storage suitable for space-constrained applications. The paper presents a detailed evaluation of the TES prototypes’ performance. The comparative analysis indicated that the TES prototypes provide a highly cost-effective, thermally optimized alternative for compact energy storage and load shifting. A novel diagnostic technique was also introduced: using a portable endoscope to capture real-time visualizations of PCM phase transitions inside the TES. This method provides critical insights into internal heat transfer mechanisms, identifies potential issues, and offers valuable support for optimizing the TES design and developing the control algorithm. Overall, the modular brick-type and blade-type TES designs demonstrated in this work provide a scalable, efficient, and economically viable solution for advancing TES across residential, commercial, and industrial sectors. The designs’ compact structure, enhanced thermal performance, and integrated diagnostic capabilities make them strong candidates for future deployment in energy-efficient systems.

Gao, Zhiming [ORNL] (ORCID:0000000271397995)↗

DOE OSTI2021

Advanced strategies for the development of porous carbon as a Li host/current collector for lithium metal batteries

Lithium metal is considered a promising anode material for high-energy-density rechargeable batteries because of its high specific theoretical capacity (3860 mAh g -1 , low mass density (0.534 g cm -3 ), and low electrochemical redox potential (-3.04 V vs. the standard hydrogen electrode). However, the high reactivity of Li with the electrolyte leads to the formation of an unstable solid electrolyte interphase (SEI) and continuous side reactions. Also, the non-uniform lithium-ion flux and infinite volume expansion of Li metal cause the growth of Li dendrites. These pose significant safety challenges and cause rapid capacity fading of the lithium metal batteries (LiMBs). To resolve these issues, a low-cost, easily processed, lightweight, high-performance carbon-based porous matrix is considered promising to host Li metal deposition. The three-dimensional (3D) porous nano/microstructured carbon provides sufficient space for Li accommodation during Li plating, buffers the volume changes during Li plating/stripping, and lowers the effective current density contributing to dendrite-free Li deposition. Besides, the outstanding electrochemical and mechanical stability, flexibility and the high electronic conductivity enable the nano/microstructured carbon to serve as both Li host and current collector. The development of 3D carbon/Li composite by mechanical roll-press techniques not only eliminates the complex and risky procedure of making carbon/Li composite based on Li plating or molten Li infusion but also stabilizes the capacity at higher Li plating/stripping rates. Recently, there is an advancement in the lithiophilic decorations of 3D structure to introduce sufficient nucleation sites and the development of artificial SEI on top of the 3D matrix to suppress Li dendrite formation. Such 3D structural modifications create a uniform electric field, lower the Li nucleation overpotential, provide strong mechanical and chemical stability, and stabilize the interface thereby inhibiting the degradation of lithium and the electrolyte. Here we summarize the research progress on porous carbon/Li composites in terms of materials type, structure, fabrication technique, their electrochemical battery performance, and identify the critical challenges that need to be addressed for high-energy-density practical LiMBs.

25 ENERGY STORAGE↗

DOE OSTI2018

Development of an approach to correcting MicroPEM baseline drift

Highlights: • Unacceptable baseline drift of real-time PM{sub 2.5} data measured by microPEM can lead to exposure miscalculation. • A reliable method was developed to adjust the baseline based on ambient PM{sub 2.5} levels provided by fixed monitoring sites. • It is also critical to tie the real-time data with mass-weighted average optical properties of PM{sub 2.5} collected. • This method can efficiently correct ~ 81% of the measurements with the baseline drift issue. Fine particulate matter (PM{sub 2.5}) is associated with various adverse health outcomes. The MicroPEM (RTI, NC), a miniaturized real-time portable particulate sensor with an integrated filter for collecting particles, has been widely used for personal PM{sub 2.5} exposure assessment. Five-day deployments were targeted on a total of 142 deployments (personal or residential) to obtain real-time PM{sub 2.5} levels from children living in New York City and Baltimore. Among these 142 deployments, 79 applied high-efficiency particulate air (HEPA) filters in the field at the beginning and end of each deployment to adjust the zero level of the nephelometer. However, unacceptable baseline drift was observed in a large fraction (> 40%) of acquisitions in this study even after HEPA correction. This drift issue has been observed in several other studies as well. The purpose of the present study is to develop an algorithm to correct the baseline drift in MicroPEM based on central site ambient data during inactive time periods.

54 ENVIRONMENTAL SCIENCES↗