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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

EMGeo 3.0

EMGeo 3.0 an algorithm that improves both the computational capabilities of joint 3D electromagnetic, EM and magnetotelluric and acoustic seismic wavefield simulation and inverse modeling. This seismic wavefield module requires that data be transformed first to the Laplace-Fourier Domain before processing. The inverse modeling is based upon non-liner conjugated gradients and 3D finite differences approximations of the seismic, EM and MT wavefields. Improved modeling efficiencies are obtain by separating the modeling grid from the simulation grid. This grid separation method allows for treatment of very large data sets and imaging volumes. Further computational efficiency is obtained by combining different levels of parallezation using the Message Passing Interface (MPI). Bound constraints are employed in the imaging process to insure stability. Additional acceleration of the inverse modeling is achieved by preconditioning the conjugate gradient optimizer using an approximate Hessian. The algorithm includes improved capabilities to accurately treat models that exhibit transverse anisotropy in the electrical conductivity. However, the seismic acoustic velocity is assumed to be isotropic. Models exhibiting topography and bathymetry can be treated. The software also includes a set of pre and post processing tools for designing input model meshes and data plotting.

Gregory Newman, Michael Commer↗
DOE OSTI2025

Analysis of the SiMPL Method for Density-Based Topology Optimization

We present a rigorous convergence analysis of a new method for density-based topology optimization that provides pointwise bound-preserving design updates and faster convergence than other popular first-order topology optimization methods. Due to its strong bound preservation, the method is exceptionally robust, as demonstrated in numerous examples here and in the companion article [D. Kim et al., Struct. Multidiscip. Optim., 68 (2025), 74]. Furthermore, it is easy to implement with clear structure and analytical expressions for the updates. Our analysis covers two versions of the method, characterized by the employed line search strategies. We consider a modified Armijo backtracking line search and a Bregman backtracking line search. For both line search algorithms, our algorithm delivers a strict monotone decrease in the objective function and further intuitive convergence properties, e.g., strong and pointwise convergence of the density variables on the active sets, norm convergence to zero of the increments, convergence of the Lagrange multipliers, and more. In addition, the numerical experiments demonstrate apparent mesh-independent convergence of the algorithm. Here, we refer to the new algorithm as the SiMPL method (pronounced “simple”), which stands for Sigmoidal Mirror descent with a Projected Latent variable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Multi-plane moment-of-fluid interface reconstruction in 3D

Moment-of-fluid (MOF) methods for interface reconstruction approximate the region occupied by material in each mesh element only through reference to its geometric moments. Here, we present a 3D MOF method that represents the material (POM) in each cell as the convex intersection of the cell and multiple half-spaces, each selected to minimize the least-squares error between computed moments of the approximated material and provided reference moments. This optimization problem is highly non-linear and non-convex, making the numerical result very sensitive to the initial guess. To create an effective initial guess in each cell, we construct an ellipsoid from 0th–2nd order reference moments such that its shape corresponds with that of the POM. Within this ellipsoid we inscribe a polyhedron, and initialize the minimization problem with the half-spaces defined by each of its faces. The inscribed polyhedron has minimally 4 faces, and using up to 3rd order moments permits optimization over up to 20 unknown values. We therefore define MOF methods that utilize 4, 5, or 6 half-spaces, correspondingly initialized with the faces of a single inscribed tetrahedron, triangular prism, or hexahedron. Stability of the non-linear optimization is further improved with a prepossessing step that normalizes the reference moments according to the axes of the reference ellipsoid. Using this approach, the non-linear least-squares solver reliably converges to a near-global minimum from a single initial guess. We demonstrate accuracy and robustness using single-cell and multi-cell examples over a wide spectrum of geometry. In particular, we demonstrate our ability to exactly reproduce several important and complex features defined by up to four half-spaces, such as corners, filaments, filament tips, and embedded material in the cell.

3D interface reconstruction↗
DOE OSTI2011

ePLAS Development for Jet Modeling and Applications

Plasma jets provide an alternate approach to the creation of high energy density laboratory plasmas (HEDLP). For the Plasma Liner Experiment (PLX), typically 30 partially ionized argon jets, produced with mini-rail guns, will be focused into a central volume for subsequent magnetic compression into high density plasma liners that can reach high (0.1 Mbar) peak pressures upon stagnation. The jets are typically 2.5 cm in radius traveling at Mach number 30. Ultimate success will require optimized tuning of the rail configurations, the nozzles injecting the gases, and the careful implementation of pre-ionization. The modeling of plasma jet transport is particularly challenging, due the large space (100 sq cm) and time scales (microseconds) involved. Even traditional implicit methods are insufficient, due to the usual need to track electrons explicitly on the mesh. Wall emission and chemistry must be managed, as must ionization of the jet plasma. Ions in the jets are best followed as particles to account properly for collisions upon jet merger. This Phase I Project developed the code ePLAS to attack and successfully surmount many of these challenges. It invented a new 'super implicit' electromagnetic scheme, using implicit electron moment currents that allowed for modeling of jets over multi-cm and multi-picoseconds on standard, single processor 2 GHz PCs. It enabled merger studies of two jets, in preparation for the multi-jet merger problem. The Project explored particle modeling for the ions, and prepared for the future addition of a grid-base jet ion collision model. Access was added to tabular equations of state for the study of ionization effects in merging jets. The improved code was discussed at the primary plasma meetings (IEEE and APS) during the Project period. Collaborations with National Laboratory and industrial partners were nurtured. Code improvements were made to facilitate code use. See: http://www.researchapplicationscorp.com. The ePLAS code enjoys EAR99 export control treatment, permitting distribution to most foreign countries without a license.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Recovery Act: Federspiel Controls (now Vigilent) and State of California Department of General Services Data Center Energy Efficient Cooling Control Demonstration. Final technical project report

Eight State of California data centers were equipped with an intelligent energy management system to evaluate the effectiveness, energy savings, dollar savings and benefits that arise when powerful artificial intelligence-based technology measures, monitors and actively controls cooling operations. Control software, wireless sensors and mesh networks were used at all sites. Most sites used variable frequency drives as well. The system dynamically adjusts temperature and airflow on the fly by analyzing real-time demands, thermal behavior and historical data collected on site. Taking into account the chaotic interrelationships of hundreds to thousands of variables in a data center, the system optimizes the temperature distribution across a facility while also intelligently balancing loads, outputs, and airflow. The overall project will provide a reduction in energy consumption of more than 2.3 million kWh each year, which translates to $240,000 saved and a reduction of 1.58 million pounds of carbon emissions. Across all sites, the cooling energy consumption was reduced by 41%. The average reduction in energy savings across all the sites that use VFDs is higher at 58%. Before this case study, all eight data centers ran the cooling fans at 100% capacity all of the time. Because of the new technology, cooling fans run at the optimum fan speed maintaining stable air equilibrium while also expending the least amount of electricity. With lower fan speeds, the life of the capital investment made on cooling equipment improves, and the cooling capacity of the data center increases. This case study depicts a rare technological feat: The same process and technology worked cost effectively in eight very different environments. The results show that savings were achieved in centers with diverse specifications for the sizes, ages and types of cooling equipment. The percentage of cooling energy reduction ranged from 19% to 78% while keeping temperatures substantially within the limits recommended by the American Society of Heating, Refrigeration, and Air-Conditioning Engineers (ASHRAE) for data center facilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Zgoubi Users' Guide

The computer code zgoubi calculates trajectories of charged particles in magnetic and electric fields. At the origin specially adapted to the definition and adjustment of beam lines and magnetic spectrometers, it has so evolved that it allows the study of systems including complex sequences of optical elements such as dipoles, quadrupoles, arbitrary multipoles, FFAG magnets and other magnetic or electric devices, and is able as well to handle periodic structures. Compared to other codes, it presents several peculiarities, as follows - a non-exhaustive list : • a numerical method for integrating the Lorentz equation, based on Taylor series, which optimizes computing time and provides high accuracy and strong symplecticity, • spin tracking, using the same numerical method as for the Lorentz equation, • account of stochastic photon emission, and its effects on particle dynamics, • calculation of the synchrotron radiation electric field and spectra in arbitrary magnetic fields, from the ray-tracing outcomes, • the possibility of using a mesh, which allows ray-tracing from simulated or measured (1-D, 2-D or 3-D) electric and magnetic field maps, • a number Monte Carlo procedures : unlimited number of trajectories, in-flight decay, stochastic radiation, etc., • built-in fitting procedures allowing arbitrary variables and a large variety of constraints, easily expandable, • multi-turn tracking in circular accelerators including features proper to machine parameter calculation and survey, • simulation of time-varying power supplies, and • simulation of arbitrary radio-frequency programs. The initial version of zgoubi was dedicated to ray-tracing in magnetic elements, beam lines, spectrometers. It was perfected for the purpose of studying, and operating, the four spectrometers SPES I, II, III, IV at the Laboratoire National SATURNE (CEA-Saclay, France), and, later, SPEG at GANIL (Caen, France). Developments regarding spin tracking and ray-tracing in combined electric and magnetic fields were implemented, in the late 1980s and early 1990s respectively. In the mid-1990s, the computation of synchrotron radiation electromagnetic impulse and spectra was introduced, for the purpose of synchrotron radiation diagnostic R&D at LEP, and further applied to the design of the SR diagnostics installations at LHC in the early 2000s. In the mean time, several new optical elements were added, such as electro-magnetic and other electrostatic lenses. Used since several years for special studies in periodic machines (e.g., SATURNE at Saclay, COSY at Julich, LEP and LHC at CERN), zgoubi has also undergone extensive developments regarding storage ring related features. Many developments have been accomplished since the early 2000s in the frame of a number of project design and beam dynamics studies, as the neutrino factory, lepton and hadron colliders, spin studies at AGS and RHIC, etc. As a consequence the list of optical elements and the compendium of numerical methods, so-called “Glossary of Keywords” list, pp. 7 and 169, has stretched with new simulation and computing procedures, ranging from fitting (FIT2 procedure ; additional constraints) to overlapping magnetic field capabilities (DIPOLES, FFAG), spin manipulation (SPINR), optical elements (BEAMBEAM), radiation damping tools (SRLOSS) and many others (FAISTORE, MAP2D-E, OPTICS, PICKUPS, TWISS, etc.). The graphic interface to zgoubi (zpop, Part D) has undergone extensive developments, making it a convenient companion tool to the use of zgoubi.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Enriched immersed finite element and isogeometric analysis: algorithms and data structures

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their implementation remains a major challenge due to, among other things, the need to apply nontrivial stabilization schemes and generate custom quadrature rules. This article introduces the robust and computationally efficient algorithms and data structures comprising an immersed finite element preprocessing framework. The input to the preprocessor consists of a background mesh and one or more geometries defined on its domain. The output is structured into groups of elements with custom quadrature rules formatted such that common finite element assembly routines may be used without or with only minimal modifications. The key to the preprocessing framework is the construction of material topology information, concurrently with the generation of a quadrature rule, which is then used to perform enrichment and generate stabilization rules. While the algorithmic framework applies to a wide range of immersed finite element methods using different types of meshes, integration, and stabilization schemes, the preprocessor is presented within the context of the extended isogeometric analysis. This method utilizes a structured B-spline mesh, a generalized Heaviside enrichment strategy considering the material layout within individual basis functions’ supports, and face-oriented ghost stabilization. Using a set of examples, the effectiveness of the enrichment and stabilization strategies is demonstrated alongside the preprocessor’s robustness in geometric edge cases. Additionally, the performance and parallel scalability of the implementation are evaluated.

Computer implementation↗
DOE OSTI2012

Hands-on Performance Tuning of 3D Finite Difference Earthquake Simulation on GPU Fermi Chipset

3D simulation of earthquake ground motion is one of the most challenging computational problems in science. The emergence of graphic processing units (GPU) as an effective alternative to traditional general purpose processors has become increasingly capable in terms of accelerating scientific computing research. In this paper, we describe our experiences in porting AWP-ODC, a 3D finite difference seismic wave propagation code, to the latest GPU Fermi chipset. We completely rewrote this Fortran-based 13-point asymmetric stencil computation code in C and MPI-CUDA in order to take advantage of the powerful GPU computing capabilities. Our new CUDA code implemented the asymmetric 3D stencil on Fermi to make the best use of GPU on-chip memory for an aggressive parallel efficiency. Benchmark on NVIDIA Tesla M2090 demonstrated 10x speedup versus the original fully optimized AWP-ODC FORTRAN MPI code running on a single Intel Nehalem 2.4 GHz CPU socket (4 cores/CPU), and 15x speedup versus the same MPI code running on a single AMD Istanbul 2.6 GHz CPU socket (6 cores/CPU). Sustained single-GPU performance of 143.8 GFLOPS in single precision is benchmarked for the testing case of 128x128x960 mesh size.

3D Stencil Computation↗
DOE OSTI2025

LC-Opt: Benchmarking Reinforcement Learning and Agentic AI for End-to-End Liquid Cooling Optimization in Data Centers

Liquid cooling is critical for thermal management in high-density data centers with the rising AI workloads. However, machine learning-based controllers are essential to unlock greater energy efficiency and reliability, promoting sustainability. We present LC-Opt, a Sustainable Liquid Cooling (LC) benchmark environment, for reinforcement learning (RL) control strategies in energy-efficient liquid cooling of high-performance computing (HPC) systems. Built on the baseline of a high-fidelity digital twin of Oak Ridge National Lab's Frontier Supercomputer cooling system, LC-Opt provides detailed Modelica-based end-to-end models spanning site-level cooling towers to data center cabinets and server blade groups. RL agents optimize critical thermal controls like liquid supply temperature, flow rate, and granular valve actuation at the IT cabinet level, as well as cooling tower (CT) setpoints through a Gymnasium interface, with dynamic changes in workloads. This environment creates a multi-objective real-time optimization challenge balancing local thermal regulation and global energy efficiency, and also supports additional components like a heat recovery unit (HRU). We benchmark centralized and decentralized multi-agent RL approaches, demonstrate policy distillation into decision and regression trees for interpretable control, and explore LLM-based methods that explain control actions in natural language through an agentic mesh architecture designed to foster user trust and simplify system management. LC-Opt democratizes access to detailed, customizable liquid cooling models, enabling the ML community, operators, and vendors to develop sustainable data center liquid cooling control solutions.

Naug, Avisek [Hewlett Packard Enterprise]↗
DOE OSTI2017

Formation and Transportation of an Intense Sub-Millisecond Electron Beam in a Longitudinal Magnetic Field in the Source with a Mesh Plasma Cathode

The limiting parameters of an intense sub-millisecond electron beam generated in the source with a plasma cathode on the basis of a low-pressure multi-arc discharge with mesh stabilization of the cathode (emission) plasma boundary and mobile anode (beam) plasma boundary are investigated. It is demonstrated that the limiting parameters of the electron beam in the examined electrode system are limited by its energy content on a level of about 4 kJ the excess of which leads to an electric breakdown of the accelerating gap. The optimal pressures are determined at which the beam during its transportation in the longitudinal magnetic field with a preset configuration has maximal parameters for the given electrode system. Different mechanisms of electric breakdown initiation and methods for increasing the electric strength of the high-voltage accelerating gap in this electrode system are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Fully coupled simulation of cosmic reionization. I. numerical methods and tests

Here, we describe an extension of the Enzo code to enable fully coupled radiation hydrodynamical simulation of inhomogeneous reionization in large similar to(100 Mpc)(3) cosmological volumes with thousands to millions of point sources. We solve all dynamical, radiative transfer, thermal, and ionization processes self-consistently on the same mesh, as opposed to a postprocessing approach which coarse-grains the radiative transfer. But, we employ a simple subgrid model for star formation which we calibrate to observations. The numerical method presented is a modification of an earlier method presented in Reynolds et al. differing principally in the operator splitting algorithm we use to advance the system of equations. Radiation transport is done in the gray flux-limited diffusion (FLD) approximation, which is solved by implicit time integration split off from the gas energy and ionization equations, which are solved separately. This results in a faster and more robust scheme for cosmological applications compared to the earlier method. The FLD equation is solved using the hypre optimally scalable geometric multigrid solver from LLNL. By treating the ionizing radiation as a grid field as opposed to rays, our method is scalable with respect to the number of ionizing sources, limited only by the parallel scaling properties of the radiation solver. We test the speed and accuracy of our approach on a number of standard verification and validation tests. We show by direct comparison with Enzo's adaptive ray tracing method Moray that the well-known inability of FLD to cast a shadow behind opaque clouds has a minor effect on the evolution of ionized volume and mass fractions in a reionization simulation validation test. Finally, we illustrate an application of our method to the problem of inhomogeneous reionization in a 80 Mpc comoving box resolved with 3200(3) Eulerian grid cells and dark matter particles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Learning Robust Marking Policies for Adaptive Mesh Refinement

Here in this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a naïve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AMR in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on h- and hp-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple hp-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Emergency core cooling system performance criteria for Multi-Layered Silicon Carbide nuclear fuel cladding

Multi-layered Silicon Carbide (SiC) cladding has been proposed to replace the current Zircaloy (Zr) cladding in existing nuclear power plants. Due to its ceramic property, SiC may have a different failure mechanism from that of metallic Zr clad. This characteristic should be considered in designing the plant’s safety system performance, such that the fuel’s integrity is reasonably assured during accident scenarios. This paper aims at optimizing the Emergency Core Cooling System (ECCS) performance criteria in mitigating LBLOCA accidents at a Pressurized Water Reactor (PWR) using the uranium dioxide fuel and duplex or triplex SiC cladding structures. Clad failures by brittle fractures and thermal degradation were modeled in a fuel analysis code. This fuel model was coupled with the RELAP5 plant model by adapting the fuel’s mesh configuration and formulating the effective heat transfer coefficients. A model to quantify the likelihood of clad functional failure as a combination of individual layer fractures at various axial positions was proposed. Updated SiC material properties were gathered from recent reference studies. Clad reliability estimates using the proposed model were compared with the estimates obtained using other models. The results were used to relax the criterion of required actuation timing of ECCS, such that the risk of the new plant design is less or equal to that of the initial plant configuration. Triplex clad was more reliable than duplex clad and Zr, reducing the conditional core damage probability by three orders of magnitude in the reference LBLOCA scenario. Compressive stresses due to irradiation swelling played the determining role in the vulnerabilities of each clad design. The duplex clad was vulnerable to pressure-loading stresses while triplex clad was prone to fail due to thermal shocks experienced during the LOCA reflood phase. Additionally, it was concluded that the most vulnerable axial fuel rod location in the reference LBLOCA scenario was located at the highest axial power peaking location. A sensitivity study on the ECCS timing density was conducted. The results showed that ECCS actuation timing could be extended from the initial technical specification, without increasing the fuel damage likelihood. The time extension was distributed in the order of several hundreds of seconds, which was comparable with time extensions offered by FeCrAl and Cr-coated-Zr clad designs in LBLOCA scenarios. This time extension may potentially reduce the failure probabilities of EDGs and pumps, hence improving the plant safety further.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation Environment (MOOSE) input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of optimized lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Low-Cost Proton Conducting Membranes for PEM Fuel Cells

Proton exchange membrane (PEM) is the key component in PEM fuel cells that critically determines the system performance and its economic viability. Presently, the state-of-the-art PEMs, such as Nafion membranes, are based on perfluorosulfonic acid (PFSA) ionomers. But these ionomer materials are expensive, particularly at the low volumes that will be needed for initial commercialization. Besides, they are not suitable for fuel cells operated beyond 100°C, because of the limitations connected to the humidification requirement of such membrane materials, limiting the maximum operating temperature to about 90°C. Fuel cells for transportation applications are required to operate in a wide temperature range from –20°C to 120°C. Low-cost PEMs with capabilities in a range of temperature and humidity conditions are urgently needed to meet the DOE fuel cell targets for transportation applications. Amsen Technologies LLC chooses to address the DOE call with a novel reinforced PEM approach based on new, non-PFSA proton conducting ionomers developed from our previous DOE SBIR projects. Along with this approach is the use of very cheap, ultra thin and highly porous microporous polymer meshes as the support for the membrane. The new PEM is expected to have significant cost advantages over traditional PEMs. The microporous polyolefin support costs $2-3/m 2 ; and the new ionomers that Amsen has developed are estimated at ~$\$$250/kg at the higher end including material costs and labor costs (which may go down in the future as the processing is optimized and production scaled up). These have led to an estimate of total material cost for the membrane at $\$$11 to $\$$12/m 2 , offering high potential of meeting the DOE cost targets (≤$\$$20/m 2 ) after adding processing cost and profit margin. The Phase I results have successfully demonstrated that it is very promising to develop the intended low-cost, high-performance PEM membrane. Suitable material system has been identified, and suitable process for forming the new PEM has been developed. Uniform membranes have been reproducibly fabricated. These membranes have been extensively characterized and evaluated in terms of microstructural features, and relevant physical and chemical properties including proton conductivity and area specific proton resistance in a range of temperature and humidity conditions, resistance to electronic conduction, water uptake/swelling, dimensional stability, chemical stability, and mechanical durability. Membrane electrode assemblies (MEA) with the new membrane have been successfully prepared and tested for fuel cell operation. The new PEM showed higher proton conductivity than Nafion membranes for all measurement conditions used in Phase I. With high proton conductivity and ultra-thin thickness (~20 /m), the new membrane showed high promise to met DOE targets for the low ASR. The ASR targets have been met for relatively high RH but not yet for RH ≤ 70%. Further optimization in ionomer chemistry and membrane processing is needed in order to meet the ASR targets for a wide range of temperature and humidity conditions. The new membrane showed fairly high electronic resistance at 1373 ohm cm 2 , meeting the DOE target for electronic resistance (> 1000 ohm cm 2 ). The new membrane also has demonstrated promisingly high chemical stability, high mechanical durability, and high dimensional stability. Fuel cell operation using MEAs with the new membrane have shown the same level of fuel cell performance as MEAs with Nafion membranes. Overall, the new membrane has been demonstrated to have high potential of meeting all DOE performance targets for fuel cell applications as well as the cost targets. The manufacturers of PEM fuel cells, PEM electrolyzers, redox flow batteries, and MEA are the end-users and customers of PEMs. For commercialization purpose and potential partnering relations, we have been talking with many such manufacturers. They have responded with extremely high interest in the new PEM being developed in the present technology. Accomplishments so far have laid down a strong base for Amsen to further the development efforts on this new PEM and to pursue commercialization. The near-term future work will be mainly focused on further development and systematical optimization of the material system, processing, and performance of the new membrane; systematical evaluation of the new membrane in terms of all relevant properties including long-term mechanical, chemical, and combined chemical/mechanical durabilities using DOE specified testing protocols; development of production scale-up scheme; and preparation for commercialization.

08 HYDROGEN↗
DOE OSTI2024

Learning model combining convolutional deep neural network with a self-attention mechanism for AC optimal power flow

Alternating current optimal power flow (OPF) analysis is critical for efficient and reliable operation of power systems. For large systems or repetitive computations, the traditional methods such as the direct and gradient methods, or non-traditional methods, such as the genetic algorithm and simulating annealing, are time-consuming and unsuitable for real-time computing. The work in this paper proposes a novel framework to obtain the optimal solution of power flow in real-time using a combination of convolutional neural networks and a self-attention mechanism. All parameters of the power networks are rearranged in an image-like shape of a multi-channel image where each channel is a two-dimensional matrix. The proposed approach is adaptive with every input size of power systems as well as frequent variations of network topologies without intervention to the framework core. The encompassment of all power system contexts in which all parameters of internal elements, generation costs, and topology information are included, contributes to the higher accuracy of inference compared to other current machine-learning-based OPF-solving methods. Besides, the proposed framework established on ubiquitous platforms is effortlessly integrated into current infrastructures of power systems, and the great efficiency along with the computation speed may serve as a critical point for practical implications, such as enabling faster decision-making during real-time operations, predicting system contingencies, and remedial actions based on an offline pre-trained model. Furthermore, this supervised learning process is applied to the dataset of four case studies of meshed power systems: the IEEE 5-bus system (IEEE-5), the IEEE 30-bus system (IEEE-30), the IEEE 39-bus system (IEEE-39), and the IEEE 57-bus system (IEEE-57) to prove the efficacy of the proposed method.

42 ENGINEERING↗
DOE OSTI2011

Progress towards accelerating HOMME on hybrid multi- core systems

The suitability of a spectral element based dynamical core (HOMME) within the Community Atmospheric Model (CAM) for GPU-based architectures is examined and initial performance results are reported. This work was done within a project to enable CAM to run at high resolution on next generation, multi-petaflop systems. The dynamical core is the present focus because it dominates the performance profile of our target problem. HOMME enjoys good scalability due to its underlying cubed-sphere mesh with full two-dimensional decomposition and the localization of all computational work within each element. The thread blocking and code changes that allow HOMME to effectively use GPUs are described along with a rewritten vertical remapping scheme which improves performance on both CPUs and GPUs. Validation of results in the full HOMME model is also described. Remaining issues affecting performance include optimizing the boundary exchanges for the case of multiple spectral elements being computed on the GPU and using multiple CUDA streams to overlap data transfers with computations.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Topology optimization of 3D photonic crystals with complete bandgaps

The design of photonic crystals with complete bandgaps has recently received considerable research focus for numerous reasons. This work leverages well-known nonlinear programming techniques to alleviate the non-smoothness caused by degenerate eigenvalues such that topology optimization problems can be solved with the open-source IPOPT software. A fully-vectorial plane wave expansion technique is used with an iterative eigensolver to efficiently predict dispersion properties of candidate structures. Nonlinear programming is employed to solve the inverse problem of designing three-dimensional periodic structures that exhibit complete two-dimensional (2D) and three-dimensional (3D) photonic bandgaps. Mesh refinement is performed to alleviate the large computational burden of designing and analyzing photonic crystals, and a periodic density filter is implemented to impose a minimum feature size for manufacturability considerations.

97 MATHEMATICS AND COMPUTING↗