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All sources NASA NTRS DOE OSTI

DOE OSTI2021

INTEGRATE - Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements

The INTEGRATE (Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements) project is developing a new inverse-design capability for the aerodynamic design of wind turbine rotors using invertible neural networks. This AI-based design technology can capture complex non-linear aerodynamic effects while being 100 times faster than design approaches based on computational fluid dynamics. This project enables innovation in wind turbine design by accelerating time to market through higher-accuracy early design iterations to reduce the levelized cost of energy. INVERTIBLE NEURAL NETWORKS Researchers are leveraging a specialized invertible neural network (INN) architecture along with the novel dimension-reduction methods and airfoil/blade shape representations developed by collaborators at the National Institute of Standards and Technology (NIST) learns complex relationships between airfoil or blade shapes and their associated aerodynamic and structural properties. This INN architecture will accelerate designs by providing a cost-effective alternative to current industrial aerodynamic design processes, including: - Blade element momentum (BEM) theory models: limited effectiveness for design of offshore rotors with large, flexible blades where nonlinear aerodynamic effects dominate - Direct design using computational fluid dynamics (CFD): cost-prohibitive - Inverse-design models based on deep neural networks (DNNs): attractive alternative to CFD for 2D design problems, but quickly overwhelmed by the increased number of design variables in 3D problems AUTOMATED COMPUTATIONAL FLUID DYNAMICS FOR TRAINING DATA GENERATION - MERCURY FRAMEWORK The INN is trained on data obtained using the University of Marylands (UMD) Mercury Framework, which has with robust automated mesh generation capabilities and advanced turbulence and transition models validated for wind energy applications. Mercury is a multi-mesh paradigm, heterogeneous CPU-GPU framework. The framework incorporates three flow solvers at UMD, 1) OverTURNS, a structured solver on CPUs, 2) HAMSTR, a line based unstructured solver on CPUs, and 3) GARFIELD, a structured solver on GPUs. The framework is based on Python, that is often used to wrap C or Fortran codes for interoperability with other solvers. Communication between multiple solvers is accomplished with a Topology Independent Overset Grid Assembler (TIOGA). NOVEL AIRFOIL SHAPE REPRESENTATIONS USING GRASSMAN SPACES We developed a novel representation of shapes which decouples affine-style deformations from a rich set of data-driven deformations over a submanifold of the Grassmannian. The Grassmannian representation as an analytic generative model, informed by a database of physically relevant airfoils, offers (i) a rich set of novel 2D airfoil deformations not previously captured in the data , (ii) improved low-dimensional parameter domain for inferential statistics informing design/manufacturing, and (iii) consistent 3D blade representation and perturbation over a sequence of nominal shapes. TECHNOLOGY TRANSFER DEMONSTRATION - COUPLING WITH NREL WISDEM Researchers have integrated the inverse-design tool for 2D airfoils (INN-Airfoil) into WISDEM (Wind Plant Integrated Systems Design and Engineering Model), a multidisciplinary design and optimization framework for assessing the cost of energy, as part of tech-transfer demonstration. The integration of INN-Airfoil into WISDEM allows for the design of airfoils along with the blades that meet the dynamic design constraints on cost of energy, annual energy production, and the capital costs. Through preliminary studies, researchers have shown that the coupled INN-Airfoil + WISDEM approach reduces the cost of energy by around 1% compared to the conventional design approach. This page will serve as a place to easily access all the publications from this work and the repositories for the software developed and released through this pr...

aerodynamics↗

DOE OSTI2020

Microgrid resilience: A holistic approach for assessing threats, identifying vulnerabilities, and designing corresponding mitigation strategies

Not Available

Mishra, Sakshi (ORCID:0000000252028676)↗

DOE OSTI2025

Sustainable, degradable and malleable low-dielectric-constant thermosets derived from biomass for recyclable green electronics

In view of their excellent thermal and chemical resistance, favorable adhesion properties, high tensile strength, and other advantages, epoxy thermosets have numerous industrial applications such as coating, adhesive, and composite material production. However, bisphenol A (BPA)-based resins, which account for a significant fraction of the above thermosets, adversely affect human health by interfering with the normal functioning of the endocrine system and cannot be easily decomposed and recycled. Herein, degradable and sustainable bio-based epoxy thermosets with crosslinked network structures are prepared by the epoxidation of isosorbide with epichlorohydrin and the curing of the produced isosorbide diglycidyl ether (ISDGE) with cyclic lactones through a cationic ring-opening reaction. The ISDGE thermosets fully decompose into soluble and recyclable products under mildly basic conditions within three days, which is ascribed to the presence of ester moieties within the polymer network structure. Compared to a representative BPA-based epoxy, ISDGE-based thermosets exhibit lower dielectric constants and are more flexible. Moreover, the glass fibers in ISDGE-based prepregs can be fully recovered after on-demand degradation. Furthermore, our work provides promising eco-friendly alternatives to conventional epoxy thermosets and paves the way for the reduction of plastic waste generation and the development of recyclable green electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Using Metadynamics to Reveal Extractant Conformational Free Energy Landscapes

Understanding the impact of extractant functionalization on metal-binding energetics in liquid-liquid extraction is essential to guide the development of better separation processes. Traditionally, computational extractant design uses electronic structure calculations on metal-ligand clusters to determine the metal-binding energy of the lowest energy state. Although highly accurate, this approach does not account for all of the relevant physics encountered under experimental conditions. Such methodologies often neglect entropic contributions such as temperature effects and ligand flexibility, in addition to approximating solvent-extractant interactions with implicit solvent models. In this study, we use classical molecular dynamics simulations with an advanced sampling method, metadynamics, to map out extractant molecule conformational free energies in the condensed phase. Here we generate the complete conformational landscape in solution for a family of bidentate malonamide-based extractants with different functionalizations of the headgroup and the side chains. In particular, we show how such alkyl functionalization reshapes the free energy landscape, affecting the free energy penalty of organizing the extractant into the cis-like metal-binding conformation from the trans-like conformation of the free extractant in solution. Specifically, functionalizing alkyl tails to the center of the headgroup has a greater influence on increasing molecular rigidity and disfavoring the binding conformation than functionalizing side chains. These findings are consistent with trends in metal-binding energetics based on experimentally reported distribution ratios. We also consider a different bidentate extractant molecule, carbamoylmethylphosphine oxide, and show how the choice of solvent can further reshape the conformational energetic landscape. This study demonstrates the feasibility of using molecular dynamics simulations with advanced sampling techniques to investigate extractant conformational energetics in solution, which, more broadly, will enable extractant design that accounts for entropic effects and explicit solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗

DOE OSTI2024

Learning stochastic dynamics and predicting emergent behavior using transformers

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior under conditions not observed during training. We consider a lattice model of active matter undergoing continuous-time Monte Carlo dynamics, simulated at a density at which its steady state comprises small, dispersed clusters. We train a neural network called a transformer on a single trajectory of the model. The transformer, which we show has the capacity to represent dynamical rules that are numerous and nonlocal, learns that the dynamics of this model consists of a small number of processes. Forward-propagated trajectories of the trained transformer, at densities not encountered during training, exhibit motility-induced phase separation and so predict the existence of a nonequilibrium phase transition. Transformers have the flexibility to learn dynamical rules from observation without explicit enumeration of rates or coarse-graining of configuration space, and so the procedure used here can be applied to a wide range of physical systems, including those with large and complex dynamical generators.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Design and Development of a Fixtureless, Pass-through Machine Tool for Extrusion Machining

The aerospace, construction/architecture, and transportation manufacturing industries rely heavily on the mass production of near-net shape metallic and composite extrusions. While the production of raw extrusions is a relatively fast process, adding functional features such as holes and slots require additional time, cost, and energy to produce. To compensate for the inherent flexibility of extrusions, conventional machining requires rigid purpose-built fixtures for operations such as trimming, drilling and thinning. This approach requires that the machine tools be as large or larger than the parts themselves. This results in the need for excess shop floor space, energy for auxiliary equipment and motion systems, and significant capital expenditure. Considerable engineering expense and time involved in the designing, building, and proving out of part-specific fixtures for holding the components in specific configurations while machining add to the overall manufacturing cost. The primary objective of the technical collaboration between Oak Ridge National Laboratory and Fairmount Technologies (FT) is to improve the XM-3, a fixtureless CNC milling machine designed by FT. The machine was developed to trim, drill, and thin extrusions without part specific fixturing to make the manufacturing process more efficient and flexible. Dynamic measurements of the existing structure were collected, and modeling efforts were made to evaluate optimal machining parameters for the current system. Areas of improvement to increase the system stiffness, manufacturability, and machining efficiency were evaluated and highlighted for the next generation design. The impact of this effort may enable agile manufacturing across the commercial and defense aerospace industries, and other industries where extrusions are utilized like in the construction, architecture, and transportation industries.

42 ENGINEERING↗

DOE OSTI2025

Design and Development of a Fixtureless, Pass-through Machine Tool for Extrusion Machining

42 ENGINEERING↗

DOE OSTI2023

A Smart Silicon Carbide Power Module With Pulse Width Modulation Over Wi-Fi and Wireless Power Transfer-Enabled Gate Driver, Featuring Onboard State of Health Estimator and High-Voltage Scaling Capabilities: Preprint

A wide range of utility applications require controllable switches with features such as high-voltage (HV) blocking and high-current carrying capacity especially at high pulse width modulation (PWM) frequency. Low and medium voltage utility applications such as motor drives and flexible AC transmission systems (FACTS) as well as solid state transformers (SST) could also benefit from a low-cost HV switching module. Wide band gap (WBG) semiconductors such as SiC and GaN MOSFETs are considered to be the present and next generation device choices, although they have their own limitations. For relatively HV applications with demanding thermal management, SiC is still the only choice, and GaN dominates the low voltage regime. This manuscript proposes a new half bridge power MOSFET module that is suitable for conventional H-bridge of multilevel configurations used in HV applications. Constructed from bare SiC dies, this half bridge module takes advantage of (1) optimized MOSFET placement inside the module, (2) customized heat exchanger, manifold and cooling, (3) integrated gate driver module with PWM over wi-fi to eliminate the need for low voltage signals, (4) wireless power transfer (WPT) enabled gate driver and other ancillary circuits, (5) and the option to incorporate an onboard state of health (SOH) estimator module onboard. The entire architecture has been designed and built at National Renewable Energy Laboratory (NREL), Golden, CO.

baseplate design↗

DOE OSTI2023

Simulating Quantum Systems with NWQ-Sim on HPC

NWQ-Sim is a cutting-edge quantum system simulation environment designed to run on classical multi-node, multi-CPU/GPU heterogeneous HPC systems. In this work, we provide a brief overview of NWQ-Sim and its implementation in simulating quantum circuit applications, such as the transverse field Ising model. We also demonstrate how NWQ-Sim can be used to examine the effects of errors that occur on real quantum devices, using a combined device noise model. Moreover, NWQ-Sim is particularly well-suited for implementing variational quantum algorithms where circuits are dynamically generated. Therefore, we also illustrate this with the variational quantum eigensolver (VQE) for the Ising model. In both cases, NWQ-Sim's performance is comparable to or better than alternative simulators. We conclude that NWQ-Sim is a useful and flexible tool for simulating quantum circuits and algorithms, with performance advantages and noise-aware simulation capabilities.

Suh, In-Saeng↗

DOE OSTI2025

Electrical and Thermal Load Impacts of Three District Heating and Cooling Designs for an Existing Community in Washington, DC

District energy systems that provide building heating and cooling are a promising option to provide low-cost, energy efficient heating and cooling solutions for communities. As some buildings move to electrified heating designs, there may be significant increases in electric grid demand, particularly in the winter. District energy systems may be able to help reduce these high electrical demands on the electric grid, while also providing decreased overall energy consumption with an increased flexibility in electrical energy usage. To evaluate and compare district options for district-based heating and cooling, an existing neighborhood of Washington, DC consisting of 35 existing buildings was selected as a case study. This study models and compares a fourth generation (4G) district heating and cooling systems that provide hot and chilled water from a central plant directly to each prosumer and a fifth generation (5G) district heating and cooling systems that provide near-ambient water via geothermal boreholes to interface with an energy transfer station with a heat pump at each prosumer. These district systems are compared against a baseline of the non-connected buildings with their self-contained and current HVAC systems. The neighborhood was selected as a good candidate for a district system for its diversity of loads (mix of different commercial and property types) and the availability of building characteristics. URBANopt District Energy Systems (DES) was used to model the buildings and create initial Modelica models for the district systems. Finally, the DES models were tuned and simulated in Dymola, and the outputs were post-processed for verification and to calculate the electrical and thermal grid impact metrics. This is the first documentation of this workflow and its complete analysis. The three designed systems are compared via their grid metrics including: total energy consumption, electrical demand peak loads, daily peak-to-valley ratios, and system ramping. A detailed discussion is provided about how each system impacts and interacts with the electric grid.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Experiences with a Flexible User Research Process to Build Data Change Tools

Scientific software development processes are understood to be distinct from commercial software development practices due to uncertain and evolving states of scientific knowledge. Sustaining these software products is a recognized challenge, but under-examined is the usability and usefulness of such tools to their scientific end users. User research is a well-established set of techniques (e.g., interviews, mockups, usability tests) applied in commercial software projects to develop foundational, generative, and evaluative insights about products and the people who use them. Currently these approaches are not commonly applied and discussed in scientific software development work. The use of user research techniques in scientific environments can be challenging due to the nascent, fluid problem spaces of scientific work, varying scope of projects and their user communities, and funding/economic constraints on projects.In this paper, we reflect on our experiences undertaking a multi-method user research process in the Deduce project. The Deduce project is investigating data change to develop metrics, methods, and tools that will help scientists make decisions around data change. There is a lack of common terminology since the concept of systematically measuring and managing data change is under explored in scientific environments. To bridge this gap we conducted user research that focuses on user practices, needs, and motivations to help us design and develop metrics and tools for data change. This paper contributes reflections and the lessons we have learned from our experiences. We offer key takeaways for scientific software project teams to effectively and flexibly incorporate similar processes into their projects.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A review of United States energy-only generator interconnection service policy and considerations for reform

Grid interconnection has emerged as a significant obstacle to the development of new electricity resources. There is growing interest in energy-only interconnection, which is an interconnection service option meant to allow the interconnection of new generators without ensuring their energy deliverability during all hours through the transmission system to customers. This approach potentially avoids upfront congestion-related transmission upgrades but could increase curtailment risk. Interest in energy-only interconnection is shaped by incomplete understanding of how interconnection policy functions in different jurisdictions, a knowledge gap that makes it difficult to determine how energy-only interconnection might be better used or re-designed. In this paper, we provide a regulatory review of energy-only interconnection in U.S. interconnection policy and practice, identifying jurisdictions in which rules are close to -or farther from-the theoretical concept of energy-only interconnection service. We find substantial jurisdictional differences in how energy-only interconnection is implemented, driven by differences in resource adequacy frameworks, real-time transmission operations, and state-level procurement practices. U.S. regulators have preferred local jurisdictional flexibility over federal prescription of interconnection study methods and procedures, which also contributes to differences among regions. Such findings raise fundamental questions about whether competition policies in electricity markets should extend beyond spot energy markets and into more prescriptive guidelines around interconnection rules and market entry. This paper sheds light on tensions that energy-only interconnection raises in allowing generators to access the transmission system on an as available basis and discusses how controlling thresholds for congestion-related network upgrades may be a barrier to electricity market entry.

Gorman, Will↗

DOE OSTI2024

Responsive‐Hydrogel Aquabots

Abstract It remains a challenge to produce soft robots that can mimic the responsive adaptability of living organisms. Rather than fabricating soft robots from bulk hydrogels,hydrogels are integrated into the interfacial assembly of aqueous two‐phase systems to generate ultra‐soft and elastic all‐aqueous aquabots that exhibit responsive adaptability, that can shrink on demand and have electrically conductive functions. The adaptive functions of the aquabots provide a new platform to develop minimally invasive surgical devices, targeted drug delivery systems, and flexible electronic sensors and actuators.

42 ENGINEERING↗

DOE OSTI2020

Cost estimates of production scale semitransparent organic photovoltaic modules for building integrated photovoltaics

Building integrated photovoltaics (BIPVs) are attached to commercial and residential structures to enable solar energy harvesting. While conventional Si photovoltaics (PVs) are dominant in the current market, second and third generation thin film solar cells based on amorphous Si, CdTe, CIGS, perovskites or organic photovoltaics (OPVs) are often considered as an alternative for BIPV applications since they may offer reduced costs compared to Si PVs. Indeed, recent advances in performance suggest that lightweight, flexible and visibly transparent OPVs can potentially be integrated into windows or other applications to which Si PVs are less well suited. Here, we estimate the cost of high efficiency, semitransparent OPVs (ST-OPVs) based on solution processing in a roll-to-roll (R2R) manufacturing line. Assuming modules with 10% power conversion efficiency (PCE), a 70% geometric fill factor (GFF), and 95% inverter efficiency, we anticipate a %1.6 per Wp module manufacturing cost that includes the cost of the microinverter to condition the OPV dc output to be compatible with the ac line voltage of the building. The materials and inverter cost comprise ~90% of the total module cost. Hence, with simplified material synthesis and a lower inverter cost, including marginally improved PCE and GFF, we expect the cost can be as low as $0.47 per Wp. Here, while the module costs ~60% of the average (uninstalled) double-pane window, we expect the payback period can be as short as 2 to 6 years, suggesting that OPVs can be an economic and attractive candidate for BIPV applications.

14 SOLAR ENERGY↗

DOE OSTI2020

Enhancing the distribution grid resilience using cyber-physical oriented islanding strategy

The increasing penetration of distributed generations enables an innovative operation paradigm that allows islanded operation to enhance the resilience of the distribution grid. In this study, a cyber-physical oriented islanding strategy is proposed by coordinating centralised and distributed control to achieve seamless islanding transition and operational flexibility in emergency conditions. A cyber-physical control structure is developed to mitigate various disturbances (e.g. emergencies or fluctuations) according to different operation conditions. Specifically, the distributed fault isolation and seamless islanding transition are coordinated to mitigate the outage caused by unplanned islanding, while a secondary control is proposed to support primary control by reducing the power fluctuations during islanded operation. With a rapid response speed, the local cyber-physical devices are coordinated to accomplish islanding separation by selecting a feasible islanded area even under an unplanned islanding situation. A field test was conducted on a practical distribution network in China, and the results demonstrated the effectiveness and feasibility of the proposed islanding strategy.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Coupled-DC Module-Based Photovoltaic System With Power Mismatch-Tolerated Modulation

Here, this article presents a coupled-DC power module-based cascaded multilevel converter integrating utility-scale photovoltaic (PV) generations (coupled-DC-link power module (CDPM)-PV). CDPM-PV inherits merits such as modular structure, distributed maximum power point tracking (MPPT), direct distribution grid access, from cascaded H-bridge-based PV (CHB-PV) system. But, it supplies more flexible power routes than CHB-PV, through coupling different DC-links. Power routes are intended for enlarging the entire operating range including conditions of active power mismatch arising from nonideal elements such as partial shading and parameter variations. The system construction with its self-balancing principle is first introduced. Switching states for different operating regions are then derived based on the principle of easing implementation. Based on these, a modulation strategy including initial switching pattern selection and coordinated power routing is proposed to allow module-mismatches. Operating ranges are also analyzed and compared with conventional CHB-PV. Simulation results of a 3-MW/13.8-kV system developed in MATLAB/Simulink platform, and experiment results based on a 2.4-kW/311-V setup are presented and have demonstrated that the CDPM-PV topology with proposed modulation strategy can not only ride through a larger range of module mismatches, but also improve solar power utilization and system efficiency owing to noncompromised MPPT.

14 SOLAR ENERGY↗

DOE OSTI2021

YAHFC: A Code Framework to Model Nuclear Reactions and Estimate Correlated Uncertainties

Reaction modeling is a key ingredient in designing experiments and interpreting their results, and is an essential component in the process of evaluating nuclear data and assembling nuclear data libraries used in nuclear technology applications. Typically, experimental data are available only for a handful of reaction channels and theory models are used to fill in the gaps. In addition, theory is often called upon as the arbitrator between discrepant data. Most importantly, theory and modeling are required for an accurate determination of uncertainties in the evaluated data and the correlations between the multiple channels. A fast, accurate, and flexible modeling capability has been developed at LLNL with the code system YAHFC (Yet Another Hauser-Feshbach Code). YAHFC is a Monte Carlo, Hauser-Feshbach code framework, making full use of dynamic memory allocation, derived types, and parallel computing. YAHFC can generate events to simulate experiments and is guiding experiments designed to measure inelastic neutron scattering from actinide targets. YAHFC is also being used to analyze decays from surrogate experiments, thereby enabling the inference of reaction cross sections inaccessible by direct measurement. Finally, by modeling nuclear reactions with constraints from experimental data, YAHFC can deliver complete nuclear data libraries, with evaluated uncertainties, using the modernized Generalized Nuclear Data Structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗