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DOE OSTI2026

Programmable hydrogels by combining persistent and transient dynamic bonds

Out-of-equilibrium chemistry is currently being applied to polymer systems to mimic the autonomous behavior of biological materials. In this study, hydrogels with self-healing properties were developed that combine persistent crosslinks from dynamic metal-ligand coordination with transient crosslinks from dynamic anhydride bonds. Polymers containing terpyridine ligands and carboxylic acid groups were synthesized and crosslinked with divalent metal ions (Fe 2+ , Ni 2+ , Co 2+ , Zn 2+ , Cu 2+ ). The coordination bonds from terpyridine–metal coordination impart persistent stability, while transient anhydrides formed on treatment with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDC) temporarily increase crosslink density. Distinct behaviors are observed depending on the choice of metal, with Ni 2+ forming robust, stable networks; Zn 2+ creating moderately dynamic gels; and Cu 2+ yielding highly dynamic, soft materials. Treatment with EDC increased storage moduli significantly, with transient effects lasting up to 280 min depending on the metal ion. Self-healing experiments demonstrated independent contributions from metal coordination and transient anhydrides, enabling recovery of stress and strain under varying conditions. Additionally, complex and reversible 2D stiffness patterns were generated by spatially controlled EDC treatment of Zn 2+ and Cu 2+ hydrogel films, demonstrating programmability and reusability.

Rajawasam, Chamoni W. H. [Miami University, Oxford↗

DOE OSTI2025

The developments in modifying functionality of lignin and its application in biocomposites

With the advancement of sustainable material innovations, renewable natural biopolymers are gradually replacing traditional metal and petroleum-based synthetic materials due to their environmental friendliness, biodegradability, and economic advantages. Lignin, the second most abundant natural aromatic polymer in the plant kingdom, has emerged as a key candidate raw material for the development of green polymer systems because of its unique phenylpropane unit network structure, high carbon content, and rich functional group characteristics. However, challenges such as the inherent structural complexity, chemical inertness, and uneven molecular weight distribution of lignin limit its direct application. By employing modification strategies such as chemical functionalization and physical regulation, researchers can precisely control its reactivity, thermal stability, and interfacial compatibility, enabling the preparation of high-performance lignin-based functional composites. Here, this paper systematically reviews the principles and methodological advancements in lignin's multi-dimensional modification technology. It analyzes the mechanisms by which various chemical and physical modification techniques enhance the mechanical properties, functional responsiveness, and environmental adaptability of materials, and discusses innovative applications in fields such as intelligent packaging, biomedical materials, and energy storage devices. Furthermore, this review addresses the key challenges encountered in the high-value transformation of lignin, with the aim of offering a theoretical framework and technical pathway for the transformative development of lignin from agricultural and forestry by-products to functional material platforms.

Functional composites↗

DOE OSTI2023

Evaluation of Communication Issues in Primal-Dual-Based Distributed Energy Resource Management Systems (DERMS)

With the increasing adoption of distributed energy resources (DERs) in distribution networks, DERMS is becoming an attractive option to coordinate the control of DERs, especially primal-dual-based DERMS which is a well-developed class of them. In order to help lower the uncertainty in commercializing them, we evaluate and find the upper limits of severity for some common issues that can occur within the communication systems on which a primal-dual-based DERMS relies on; these include packet losses, link failures, and delays. This information can help a DERMS operator decide on the specifications for the communication infrastructure it will invest in for the DERMS. Our evaluation is based on numerical simulations of a real-world feeder with around 2,000 nodes and a DERMS that controls 163 PV generators and 140 energy storage batteries. In general, we found that the DERMS becomes less resistant to communication issues as the information flows closer to the DERs implementing the controllable power injections.

communication delay↗

DOE OSTI2023

Evaluation of Communication Issues in Primal-Dual-Based Distributed Energy Resource Management Systems (DERMS): Preprint

communication delay↗

DOE OSTI2020

Communication-efficient certificate revocation management for Advanced Metering Infrastructure and IoT Integration

Advanced Metering Infrastructure forms a communication network for the collection of power data from smart meters in Smart Grid. As the communication between smart meters could be secured utilizing public-key cryptography, however, public-key cryptography still has certain challenges in terms of certificate revocation and management particularly related distribution and storage overhead of revoked certificates. To address this challenge, in this work, we propose a novel revocation management approach by utilizing cryptographic accumulators which reduces the space requirements for revocation information significantly and thus enables efficient distribution of such information to all smart meters. We implemented the proposed approach on both ns-3 network simulator and a testbed. We demonstrated its superior performance with respect to traditional methods for revocation management.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Microfluidic Fabrication Techniques for High-Pressure Testing of Microscale Supercritical CO 2 Foam Transport in Fractured Unconventional Reservoirs

Pressure limitations of many microfluidic platforms have been a significant challenge in microfluidic experimental studies of fractured media. As a result, these platforms have not been fully exploited for direct observation of high-pressure transport in fractures. This work introduces microfluidic platforms that enable direct observation of multiphase flow in devices featuring surrogate permeable media and fractured systems. Such platforms provide a pathway to address important and timely questions such as those related to CO 2 capture, utilization and storage. This work provides a detailed description of the fabrication techniques and an experimental setup that may serve to analyze the behavior of supercritical CO 2 (scCO 2 ) foam, its structure and stability. Such studies provide important insights regarding enhanced oil recovery processes and the role of hydraulic fractures in resource recovery from unconventional reservoirs. This work presents a comparative study of microfluidic devices developed using two different techniques: photolithography/wet-etching/ thermal-bonding versus Selective Laser-induced Etching. Both techniques result in devices that are chemically and physically resistant and tolerant of high pressure and temperature conditions that correspond to subsurface systems of interest. Both techniques provide pathways to high-precision etched microchannels and capable lab-on-chip devices. Photolithography/wet-etching, however, enables fabrication of complex channel networks with complex geometries, which would be a challenging task for laser etching techniques. This work summarizes a step-by-step photolithography, wet-etching and glass thermal-bonding protocol and, presents representative observations of foam transport with relevance to oil recovery from unconventional tight and shale formations. In conclusion, this work describes the use of a high resolution monochromatic sensor to observe scCO 2 foam behavior where the entirety of the permeable medium is observed simultaneously while preserving the resolution needed to resolve features as small as 10 μm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

A non-volatile organic electrochemical device as a low-voltage artificial synapse for neuromorphic computing

Explore the source record for details and available documents.

bio-inspired, energy storage (including batteries ↗

DOE OSTI2018

Calibers: A Bandwidth Calendaring Paradigm for Science Workflows

Many scientific workflows require large data transfers between distributed instrument facilities, storage and computing resources. To ensure that these resources are maximally utilized, R&E networks connecting these resources must ensure that an inherently unpredictable network behaves predictably. In practice, this amounts to the per-application over-provisioning of network resources in an attempt to guarantee that adequate throughput is provided to users. This often results in resource under-utilization over time. One promising solution is the use of deadlines and bandwidth calendaring. In this approach, "fair" resource allocation is replaced with deadline-based resource allocation. However, these approaches often suffer from issues in efficiently regulating resource allocation and failure modes. Therefore, our solution, Calibers, approaches bandwidth calendaring and deadline-awareness in a different way. Calibers uses shaping, metering, and pacing at the edge of the network and end-system to provide participating clients the ability to schedule bandwidth reservations without having to worry about network noise from non-participating clients. Calibers can also fail back to the fair resource allocation of underlying transport protocols if necessary. For example, if a non-participating flow somehow enters the core of the network, or a sudden network change causes the available bandwidth to be exceeded, the underlying transport protocol congestion avoidance implementation will be able to handle the congestion as it normally would. Furthermore, Calibers provides a novel simulation method and resource allocation algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Life cycle assessment and life cycle costs for pre-disaster waste management systems

Highlights: • Disaster waste management should include disaster waste response. • Environmental and economic disaster waste management system must be constructed. • Temporary incinerators have environmental and economic disadvantages. • Regional air pollution reduction is vital in disaster waste management planning. - Abstract: This study develops a method of environmental and economic evaluation of an integrated disaster waste management system that considers the spatial scale of removal, transport, and treatment of disaster waste. A case study was conducted on combustibles, which is a type of disaster waste derived from dwellings, in Mie Prefecture, Japan. First, we calculated the quantity and the spatial distribution of disaster waste derived from dwellings and tsunami debris produced as a result of a large-scale earthquake. The quantity of disaster waste was estimated as 7,178,000 t with functioning flood-preventing facilities and 11,956,000 t without functioning flood prevention facilities. Ensuring resilience in the face of earthquakes and tsunamis by renovating flood-preventing facilities is extremely important in decreasing the production of wastes, especially in coastal regions. Next, the transportation network for transporting combustibles in disaster waste to temporary storage sites, incineration plants, and landfill was constructed using an optimization model. The results showed that if flood-preventing facilities do not function properly, the installation of temporary incineration facilities becomes essential. Life-cycle emissions of CO{sub 2}, SO{sub x}, NO{sub x}, and PM and the costs of removal, storage, and treatment of combustibles were calculated as 258,000 t, 618 t, 1705 t, 7.9 t, and 246 million USD, respectively, in the case of functioning flood-preventing facilities. If flood-preventing facilities do not function, the quantity of environmentally unfriendly emissions and the costs increase. This result suggested the significance of renovation in order to maintain the conditions of flood-preventing facilities to decrease the environmental burden and costs as well as keep the production of disaster waste at a minimum.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Structural Anomalies and Electronic Properties of an Ionic Liquid under Nanoscale Confinement

Ionic liquids (ILs) promise far greater electrochemical performance compared to aqueous systems, yet key physicochemical properties governing their assembly at interfaces within commonly used graphitic nanopores remain poorly understood. Here, we combine synchrotron X-ray scattering with first-principles molecular dynamics simulations to unravel key structural characteristics of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([TFSI] – ) ionic liquids confined in carbon slit pores. X-ray scattering reveals selective pore filling due to size exclusion, while filled pores exhibit disruption in the IL intermolecular structure, the extent of which increases for narrower slit pores. First-principles simulations corroborate this finding and quantitatively describe how perturbations in the local IL structure, particularly the hydrogen-bond network, depend strongly on the degree of confinement. Despite significant deviations in structure under confinement, electrochemical stability remains intact, which is important for energy storage based on nanoporous carbon electrodes (e.g., supercapacitors).

36 MATERIALS SCIENCE↗

DOE OSTI2020

A Modular Optimal Power Flow Method for Integrating New Technologies in Distribution Grids

This work proposes a modular concept to build optimal power flow (OPF) models for distribution networks containing various emerging technologies under diverse ownership structures, to efficiently deal with evolving technology capabilities and information sharing or privacy constraints. This concept will support any typical OPF application (e.g., optimal dispatch of a given asset without violating grid constraints) by coordinating between grid module and technology module without the need to recreate various modeling elements as technology capability changes due to innovation. Moreover, the modularity of the proposed concept enables achieving system level objectives without sharing detailed information on module level objectives and constraints among modules. To achieve this, the proposed work develops a gradient-descent algorithm which builds upon the literature on the state-of-the-art power flow approximation. The proposed concept is demonstrated with two case studies of i) controllable loads and ii) battery energy storage system (BESS) on an actual large-scale distribution grid.

Hanif, Sarmad↗

DOE OSTI2023

Collaborating with Utilities to Meet Underserved Community Needs: A Guide to Equitable Commercial Solar and Solar + Storage Deployment

Communities of color and low-income populations dedicate a disproportionate amount of their income to pay for energy. They also experience more frequent and prolonged service disruptions, impacting community health and safety. When designed correctly, commercial solar + storage installations have the potential to ameliorate these issues. However, utility programs created to support such installations are frequently underutilized because communities often lack the time and resources needed to access them. Further, historically, few utilities have had the motivation and incentives or experience to account for this barrier. RMI provided process support to Solar Energy Innovation Network teams, and described their experiences in accessing these clean energy resources to support historically underserved communities in our latest report. The report also outlines the roles of key stakeholders (e.g., utilities, building owners, and community organizations) in supporting program delivery and recommended practices to collaborate to meet community needs. The report focuses on commercial solar and solar + storage resources, including solar + storage microgrids. These technologies can offer benefits to communities who do not own their own properties. When designed to act as a "resilience hub," they can also support communities in times of electricity disruption. The report includes a step-by-step guide to collaborating with utilities to implement programs for historically underserved customers. Utilities can support these projects with financing assistance, modernized rate designs, and, in the deployment phase, technical assistance for system design and interconnection.

14 SOLAR ENERGY↗

DOE OSTI2017

Understanding the I/O Performance Gap Between Cori KNL and Haswell

The Cori system at NERSC has two compute partitions with different CPU architectures: a 2,004 node Haswell partition and a 9,688 node KNL partition, which ranked as the 5th most powerful and fastest supercomputer on the November 2016 Top 500 list. The compute partitions share a common storage configuration, and understanding the IO performance gap between them is important, impacting not only to NERSC/LBNL users and other national labs, but also to the relevant hardware vendors and software developers. In this paper, we have analyzed performance of single core and single node IO comprehensively on the Haswell and KNL partitions, and have discovered the major bottlenecks, which include CPU frequencies and memory copy performance. We have also extended our performance tests to multi-node IO and revealed the IO cost difference caused by network latency, buffer size, and communication cost. Overall, we have developed a strong understanding of the IO gap between Haswell and KNL nodes and the lessons learned from this exploration will guide us in designing optimal IO solutions in many-core era.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Day-Ahead Optimal Operation for Multi-Energy Residential Systems with Renewables

The intermittency and stochasticity nature of distributed renewable energy sources has introduced great challenges to the efficiency and security of energy distribution system operations. To address the negative impacts of intermittent renewable energy sources, this paper proposes here a day-ahead optimal operation strategy utilizing distributed energy resources based on the framework of the interconnected multi-energy system. First, a framework and mathematical models of multi-energy residential systems (MERS) are proposed. Based on the characteristics of residential energy distribution networks, the complex MERS models are reformulated to relieve the computational burden. Furthermore, the uncertainty factors such as renewable energy generation fluctuations and demand variations are handled by a reformulated chance con-strained programming technique. The feasibility and effectiveness of the proposed method are validated through a combined electric power and natural gas test system. Compared to similar models and methods in the existing literature, the proposed method performs better in terms of solution time, model scalability, and robustness in handling uncertainties.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Semantic Property Graph for Scalable Knowledge Graph Analytics

Graphs are a natural and fundamental representation to describe entities, relationships, activities, and evolution of complex systems. Many domains such as communication, citation, procurement, biology, social media, and transportation can be modeled as a set of entities and their relationships. Resource Description Framework (RDF) and Labeled Property Graph (LPG) are two of the most used data models to encode information in a graph. Both models are similar in terms of using basic graph elements such as nodes and edges but differ in terms of the modeling approach, expressibility, serialization, and target applications. RDF is a flexible data exchange model for expressing information about entities but it tends to a have high memory footprint and inefficient storage, which does not make it a natural choice to perform scalable graph analytics. In contrast, LPG has gained traction as a reliable model to perform scalable graph analytic tasks such as sub-graph matching, network alignment, and real-time knowledge graph query. It provides efficient storage, fast traversal, and flexibility to model various real-world domains. At the same time, the LPG lacks the support of a formal knowledge representation such as an ontology to provide automated knowledge inference. We propose Semantic Property Graph (SPG) as a logical projection of reified RDF into the LPG model. SPG continues to use RDF ontology to define the type hierarchy of the projected graph and validate it against a given ontology. We present a framework to convert reified RDF graphs into SPG using two different computing environments. We also present cloud-based graph migration capabilities using Amazon Web Services.

Purohit, Sumit↗

DOE OSTI2025

Toward a persistent event-streaming system for high-performance computing applications

High-performance computing (HPC) applications have traditionally relied on parallel file systems and file transfer services to manage data movement and storage. Alternative approaches have been proposed that use direct communications between application components, trading persistence and fault tolerance for speed. Event-driven architectures, as popularized in enterprise contexts, present a compelling middle ground, avoiding the performance cost and API constraints of parallel file systems while retaining persistence and offering impedance matching between application components. However, adapting streaming frameworks to HPC workloads requires addressing challenges unique to HPC systems. This paper investigates the potential for a streaming framework designed for HPC infrastructures and use cases. We introduce Mofka, a persistent event-streaming framework designed specifically for HPC environments. Mofka combines the capabilities of a traditional streaming service with optimizations tailored to the HPC context, such as support for massively multicore nodes, efficient scaling for large producer-consumer workflows, RDMA-enabled high-performance network communications, specialized network fabrics with multiple links per node, and efficient handling of large scientific data payloads. Built using the Mochi suite of HPC data service components, Mofka provides a lightweight, modular, and high-performance solution for persistent streaming in HPC systems. We present the architecture of Mofka and evaluate its performance against Kafka and Redpanda using benchmarks on diverse platforms, including Argonne's Polaris and Oak Ridge's Frontier supercomputers, showing up to 8× improvement in throughput in some scenarios. We then demonstrate its utility in several real-world applications: a tomographic reconstruction pipeline, a workflow for the discovery of metal-organic frameworks for carbon capture, and the instrumentation of Dask workflows for provenance tracking and performance analysis.

HPC↗

DOE OSTI2021

Scalable augmented enumeration and metadata operations for large filesystems

Systems, apparatus, and methods are disclosed for performing scalable operations in a file system. Metadata entries in a namespace or directory tree are sharded across multiple file metadata servers. An augmented enumeration operation, such as listing a directory, is parallelized across the multiple file metadata servers, transparently to clients. Exemplary augmentation features can include filtering and sorting. Augmentation features can be executed concurrently with enumeration, prior to enumeration, after enumeration, or as a combination of these, and can utilize pre-built index structures or holding structures for intermediate results. Augmented enumeration operations can also include no-output operations such as changing file attributes or deleting a file, and cumulative operations such as counting total disk space usage. The parallelization is compatible with tree-level parallelization and storage-level parallelization. Disclosed technologies can be applied to other fields requiring scalable enumeration, such as database and network applications.

Grider, Gary A.↗

DOE OSTI2025

Hierarchical Resilience Planning for Networked Microgrids: A Case Study of Puerto Rico

Microgrids can be designed to enhance the energy resilience of communities and critical infrastructures, such as hospitals, data centers, and communication networks, which are vulnerable to frequent weather-related disruption. Coordinating multiple microgrids in a network can leverage the geographical diversity of load and generation resources while enabling resilient and cost-effective planning of the distribution system. Designing a networked microgrid is complex, involving intricate technical assessment, cost-benefit analysis, site-specific requirements, and the evaluation of existing resources. Therefore, this paper proposes a hierarchical resilience planning framework and performs an extensive techno-economic analysis for the design of a networked microgrid. Hierarchical resilience planning involves technology sizing at an individual community level to meet the critical load and satisfy resilience criteria, and resource optimization at networked microgrid level to provide a higher level of resilience and energy adequacy. A real-world case of Puerto Rico's cooperative microgrid “Microrred de la Montaña” is investigated considering localized electricity tariffs, site-specific demand profiles, solar generation, and existing hydro resources. Multiple optimization scenarios are developed based on the resiliency requirement to estimate the capacity of solar photovoltaic and battery energy storage (BES) to be installed at each substation. The results provide the optimal sizing for individual community and networked microgrid to withstand 1day and 3-day outages along with the criteria for critical load.

13 - HYDRO ENERGY↗