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At least 163 records · Page 9

Physics-Informed Deep Neural Network Method for Limited Observability State Estimation

The precise knowledge regarding the state of the power grid is important in order to ensure optimal and reliable grid operation. Specifically, knowing the state of the distribution grid becomes increasingly important as more renewable energy sources are connected directly into the distribution network, increasing the fluctuations of the injected power. In this paper, we consider the case when the distribution grid becomes partially observable, due to for example cyber attacks, and the state estimation problem is under-determined. We present a new methodology that leverages a deep neural network (DNN) to estimate the grid state. The standard DNN training method is modified to explicitly incorporate the physical information of the grid topology and line/shunt admittance. We show that our method leads to a superior accuracy of the estimation when compared to the case when no physical information is provided. Finally, we compare the performance of our method to the standard state estimation approach, which is based on the weighted least squares with pseudo-measurements, and show that our method performs significantly better with respect to the estimation accuracy.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Machine-learning based model reduction for partial differential equations

We develop a novel synergistic approach between model reduction and machine learning. The specific goal of this project is to aid in the construction of reduced order models for basis functions that are custom-made to represent the solution of partial differential equations. Partial differential equations (PDEs) are one of the main mathematical tools for describing physical phenomena. However, due to either efficiency or necessity, for many real-world problems, we are interested in constructing reduced order models (ROMs) which focus only on the explicit computation of subsets of the active spatio-temporal scales in the problem, while treating the interaction with the rest of the scales approximately. The task of accurate representation of such interactions (usually called memory terms) constitutes a vast area of research known as model reduction. PI Stinis has significant expertise in the construction of ROMs for complex systems. In addition, in recent work with the project key participant Qadeer, they have utilized machine learning to acquire custom-made basis functions (CBFs) to expand the solutions of PDEs. In the proposed work, we will merge the two concepts by constructing ROMs for subsets of the CBFs needed to represent the solution of a PDE. Specifically, we will use the Mori-Zwanzig model reduction formalism to construct ROMs for subsets of CBFs for nonlinear PDEs of various complexity, as well as investigate the usage of CBFs in the spectral vanishing viscosity method for problems that can form shocks in finite time. The outcome of the research is aimed to be proof-of-concept about a novel synergistic approach between model reduction and machine learning, thus advancing the field of scientific machine learning. Such a capability will benefit the efficient modeling of physical systems appearing in various areas of interest to the DOE.

97 MATHEMATICS AND COMPUTING↗

Analysis of Issues for Project Scheduling by Multiple, Dispersed Schedulers (distributed Scheduling) and Requirements for Manual Protocols and Computer-based Support

Although computerized operations have significant gains realized in many areas, one area, scheduling, has enjoyed few benefits from automation. The traditional methods of industrial engineering and operations research have not proven robust enough to handle the complexities associated with the scheduling of realistic problems. To address this need, NASA has developed the computer-aided scheduling system (COMPASS), a sophisticated, interactive scheduling tool that is in wide-spread use within NASA and the contractor community. Therefore, COMPASS provides no explicit support for the large class of problems in which several people, perhaps at various locations, build separate schedules that share a common pool of resources. This research examines the issue of distributing scheduling, as applied to application domains characterized by the partial ordering of tasks, limited resources, and time restrictions. The focus of this research is on identifying issues related to distributed scheduling, locating applicable problem domains within NASA, and suggesting areas for ongoing research. The issues that this research identifies are goals, rescheduling requirements, database support, the need for communication and coordination among individual schedulers, the potential for expert system support for scheduling, and the possibility of integrating artificially intelligent schedulers into a network of human schedulers.

Richards, Stephen F.↗

Closeout Report of BNL LDRD 23-050 A Second EIC Detector: Physics Case and Conceptual Design

This document is the closeout report for LDRD 23-050, a type-A LDRD project awarded in FY2022 under the title “ A Second EIC Detector: Physics Case and Conceptual Design ”. The project was motivated by the strong interest within the EIC community in a second general-purpose detector and interaction region, and by the recognition that such a detector is essential to fully exploit the scientific potential of the EIC over its multi-decade lifetime. The key goals of the LDRD were to (i) strengthen the case for a second EIC detector, building on the arguments already articulated in the community Yellow Report, (ii) provide a realistic detector concept that is complementary to the current project detector, ePIC, in terms of physics reach, precision, and control of systematics, and (iii) broaden the overall physics program of the EIC facility. Since a possible second detector is expected to be realized with a delay of several years relative to the first detector, the project explicitly aimed at identifying technologies that are not yet sufficiently mature for ePIC but could be deployed on the later timescale of a second detector, thereby providing genuine complementarity and room for innovation. LDRD 23-050 provided support for two postdoctoral researchers and partial support for several BNL staff members, and the effort ramped up in mid-2023. Work was carried out in close collaboration with colleagues from the EIC project, the Cold QCD and STAR groups at BNL, and with substantial input from members of the EIC User Group and the ePIC Collaboration as reflected in the author list. Over the period from October 2022 through September 2025, this team developed and refined a physics program tailored to a second detector, translated the resulting physics requirements into detector-level performance targets, and explored multiple conceptual detector layouts capable of meeting these targets within the constraints of the second interaction region. The expected outcome, as stated in the original proposal, was a document detailing the physics potential and requirements of a second EIC detector, accompanied by a comprehensive conceptual detector design and an outline of the remaining R&D needed to bring the relevant technologies to maturity. The present report summarizes the progress that has been achieved toward these goals. It consolidates the physics studies, detector concepts, and technology assessments developed under this LDRD and places them in the broader context of worldwide detector R&D. While the evolving priorities of the EIC project and the substantial community effort required to design and construct ePIC naturally limited the scope of EIC-wide activities toward a second detector during this period, the work documented here is intended to provide a foundation and a point of reference for future efforts. Whatever form a second EIC detector may ultimately take, we hope that this report will serve as a useful guide for colleagues who continue to advance this program in the near- and mid-term future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Gauged soft recursion: on-shell construction of Goldstone-gauge amplitudes

We present a new on-shell recursion relation for scattering amplitudes involving Nambu-Goldstone bosons with a gauged unbroken symmetry. A central challenge is that gauge interactions break Adler’s zero condition for charged scalars, invalidating the standard soft recursion. To overcome this, we introduce a “gauged soft recursion” that leverages the soft theorems of the gauge bosons themselves, combined with a novel decomposition of amplitudes into gauge-invariant components where Adler’s zero is partially restored. The formalism, which also incorporates internal gauge bosons via angular momentum constraints, enables the systematic construction of tree-level amplitudes with arbitrary numbers of Goldstone bosons and gauge bosons in both Abelian and non-Abelian theories, as we demonstrate with explicit examples.

Chiral Lagrangian↗

Multilevel Graph Partitioning for Three-Dimensional Discrete Fracture Network Flow Simulations

We present a topology-based method for mesh-partitioning in three-dimensional discrete fracture network (DFN) simulations that takes advantage of the intrinsic multi-level nature of a DFN. DFN models are used to simulate flow and transport through low-permeability fractured media in the subsurface by explicitly representing fractures as discrete entities. The governing equations for flow and transport are numerically integrated on computational meshes generated on the interconnected fracture networks. Modern high-fidelity DFN simulations require high-performance computing on multiple processors where performance and scalability depends partially on obtaining a high-quality partition of the mesh to balance work-loads and minimize communication across all processors. The discrete structure of a DFN naturally lends itself to various graph representations, which can be thought of as coarse-scale representations of the computational mesh. Using this concept, we develop two applications of the multilevel graph partitioning algorithm to partition the mesh of a DFN. In the first, we project a partition of the graph based on the DFN topology onto the mesh of the DFN and in the second, this DFN-based projection is used as the initial condition for further partitioning refinement of the mesh. We compare the performance of these methods with standard multi-level graph partitioning using graph-based metrics (cut, imbalance, partitioning time), computational-based metrics (FLOPS, iterations, solver time), and total run time. The DFN-based and the mesh-based partitioning methods are comparable in terms of the graph-based metrics, but the time required to obtain the partition is several orders of magnitude faster using the DFN-based partitions. The computation-based metrics show comparable performance between both methods so, in combination, the DFN-based partitions are several orders of magnitude faster than the mesh-based partition. Furthermore, the method which uses the DFN-partition solution as the initial condition of the mesh partition provided cut and imbalance values that were close to the mesh-based partition but in a fraction of the time. In turn, this hybrid method outperformed both of the other methods in terms of the total run time.

58 GEOSCIENCES↗

A general non-Fourier Stefan problem formulation that accounts for memory effects

The Stefan problem is the classical model of a melting phase change. In heterogeneous systems, such phase changes can exhibit non-Fourier (anomalous) behaviors, where the advance of the melt interface does not follow the expected time scaling. These situations can be modeled by replacing the derivatives, in the governing partial differential equations, with fractional order derivatives. In particular, replacing the time derivatives leads to non-Fourier models that account for memory effects in the system. In this work, by using appropriate time convolution integrals, a general thermodynamic balance statement for melting phase problems, explicitly accounting for memory effects, is developed. From this balance, a general model formulation applicable to problems involving melting over a temperature range (i.e., a mushy region) is derived. A key component in this model is the representation of memory effects through the use of fractional derivative based constitutive models of the enthalpy and heat flux. Further, on shrinking the mushy region to a single isotherm, a general sharp interface melting model is obtained. Here, in contrast to the classic Stefan problem, the fractional derivatives induce a natural regularization, such that the constitutive models for enthalpy and heat flux are continuous at the melt interface; a result confirmed through numerical simulation. To further support the theoretical findings, a physical example of a non-Fourier Stefan problem is presented. Overall the development and results in this paper underscore the importance of explicitly relating the development of fractional calculus models to the appropriate thermodynamic balance statements.

42 ENGINEERING↗

Phase Field Dislocation Dynamics (PFDD) version 2.x

This disclosure is for version 2.x of a mesoscale model called Phase Field Dislocation Dynamics (PFDD). PFDD is used for investigating deformation in nanoscale (grain sizes of ~300 nm and less) materials, such as metals and alloys. This approach models the motion and interaction of individual defects, namely dislocations, in the material using scalar-valued phase field variables, also called order parameters. The system is evolved through energy minimization thus the model calculates the total energy density in terms of the phase field variables. The energy minimization is completed using the Ginzburg-Landau equation, and is implemented with explicit time integration. The total system energy can be comprised of several terms, including the strain energy (which describes dislocation-dislocation interactions), the energy due to an applied stress (dislocation interactions with the applied stress), and a core/lattice (perfect dislocations) or generalized stacking fault (partial dislocations) energy (described the dislocation core structure). The latter term in particular may vary based on the crystal structure being modeled and is typically informed using lower length scale (e.g., atomistic) approaches, although no such (atomistic) calculations are completed within the PFDD algorithm. This basic formulation was previously reviewed by Los Alamos National Laboratory and released under license number C17113. This previously reviewed version we will henceforth refer to as PFDD v1.0. PFDD v1.0 consisted of 2 codes (one parallel and one serial) plus input files, all written in the C language. This new disclosure is addressing the next versions of the PFDD, versions 2.x. There have been several enhancements of PFDD v1.0, which are described here and included in the attached code, which we will refer to as PFDD v2.0. There are also several new features described here that are either planned or already in process and are expected to be subsequent releases, i.e., v2.1, v2.2, ...v2.x.

Hunter, Abigail↗

Variational objective analyses for cyclone studies

The basic analysis equations, i.e., the two horizontal momentum equations, the hydrostatic equation, and the integrated continuity equation were derived for the nonlinear vertical coordinate, nondimensionalized, and expressed in finite differences on a staggered grid. Special care was taken to transform the hydrostatic equation and the pressure gradient terms of the horizontal momentum equations to nearly eliminate truncation error over steeply sloping terrain. This formulation also eliminated explicit reference to orographically induced variations in the thermodynamic variables so that the variational adjustments are on the scale of the meteorological perturbations. The analysis equations were subjected to the Euler-Lagrange operations as expressed for finite differences and an additional set of five partial differential equations was derived, bringing to nine the number of equations in Model I. Higher order terms, terms containing observed quantities, and terms containing none of the variables to be adjusted were grouped into forcing functions and the equations were solved for the zero order terms. Zero order variables were eliminated between these equations and there resulted two diagnostic equations which take the form of general linear second order partial differential equations with nonconstant coefficients.

Achtemeier, G. L.↗

Multigrid Methods for Fully Implicit Oil Reservoir Simulation

In this paper we consider the simultaneous flow of oil and water in reservoir rock. This displacement process is modeled by two basic equations: the material balance or continuity equations and the equation of motion (Darcy's law). For the numerical solution of this system of nonlinear partial differential equations there are two approaches: the fully implicit or simultaneous solution method and the sequential solution method. In the sequential solution method the system of partial differential equations is manipulated to give an elliptic pressure equation and a hyperbolic (or parabolic) saturation equation. In the IMPES approach the pressure equation is first solved, using values for the saturation from the previous time level. Next the saturations are updated by some explicit time stepping method; this implies that the method is only conditionally stable. For the numerical solution of the linear, elliptic pressure equation multigrid methods have become an accepted technique. On the other hand, the fully implicit method is unconditionally stable, but it has the disadvantage that in every time step a large system of nonlinear algebraic equations has to be solved. The most time-consuming part of any fully implicit reservoir simulator is the solution of this large system of equations. Usually this is done by Newton's method. The resulting systems of linear equations are then either solved by a direct method or by some conjugate gradient type method. In this paper we consider the possibility of applying multigrid methods for the iterative solution of the systems of nonlinear equations. There are two ways of using multigrid for this job: either we use a nonlinear multigrid method or we use a linear multigrid method to deal with the linear systems that arise in Newton's method. So far only a few authors have reported on the use of multigrid methods for fully implicit simulations. Two-level FAS algorithm is presented for the black-oil equations, and linear multigrid for two-phase flow problems with strong heterogeneities and anisotropies is studied. Here we consider both possibilities. Moreover we present a novel way for constructing the coarse grid correction operator in linear multigrid algorithms. This approach has the advantage in that it preserves the sparsity pattern of the fine grid matrix and it can be extended to systems of equations in a straightforward manner. We compare the linear and nonlinear multigrid algorithms by means of a numerical experiment.

Molenaar, J.↗

Run-time scheduling and execution of loops on message passing machines

Sparse system solvers and general purpose codes for solving partial differential equations are examples of the many types of problems whose irregularity can result in poor performance on distributed memory machines. Often, the data structures used in these problems are very flexible. Crucial details concerning loop dependences are encoded in these structures rather than being explicitly represented in the program. Good methods for parallelizing and partitioning these types of problems require assignment of computations in rather arbitrary ways. Naive implementations of programs on distributed memory machines requiring general loop partitions can be extremely inefficient. Instead, the scheduling mechanism needs to capture the data reference patterns of the loops in order to partition the problem. First, the indices assigned to each processor must be locally numbered. Next, it is necessary to precompute what information is needed by each processor at various points in the computation. The precomputed information is then used to generate an execution template designed to carry out the computation, communication, and partitioning of data, in an optimized manner. The design is presented for a general preprocessor and schedule executer, the structures of which do not vary, even though the details of the computation and of the type of information are problem dependent.

Crowley, Kay↗

Run-time scheduling and execution of loops on message passing machines

Sparse system solvers and general purpose codes for solving partial differential equations are examples of the many types of problems whose irregularity can result in poor performance on distributed memory machines. Often, the data structures used in these problems are very flexible. Crucial details concerning loop dependences are encoded in these structures rather than being explicitly represented in the program. Good methods for parallelizing and partitioning these types of problems require assignment of computations in rather arbitrary ways. Naive implementations of programs on distributed memory machines requiring general loop partitions can be extremely inefficient. Instead, the scheduling mechanism needs to capture the data reference patterns of the loops in order to partition the problem. First, the indices assigned to each processor must be locally numbered. Next, it is necessary to precompute what information is needed by each processor at various points in the computation. The precomputed information is then used to generate an execution template designed to carry out the computation, communication, and partitioning of data, in an optimized manner. The design is presented for a general preprocessor and schedule executer, the structures of which do not vary, even though the details of the computation and of the type of information are problem dependent.

Saltz, Joel↗

Low and moderate x gluon contribution to exclusive Compton scattering processes

We revisit the high energy semi-classical description of the exclusive processes DVCS, TCS, and Double DVCS by explicitly keeping track of the Feynman x dependence in both the hard and the hadronic matrix elements. This is achieved by a modification of the standard shock wave approximation to derive the effective Feynman rules, which leads to a generic expression on which we then perform a partial twist expansion to get rid of quantities suppressed by the proper physical scales. We obtain a compact factorized master formula that can be used to investigate the Bjorken limit at leading twist. In particular, we recover the full one-loop result in the collinear limit for pure gluon exchange with the target. Finally, we discuss the subtleties in taking the simultaneous collinear and small x limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Robust and Spectrally Selective Aerogels for Solar Receivers

The development of next generation concentrated solar thermal (CST) plants requires solar receivers to reach high temperatures (> 600°C) while minimizing costs. Efficiently generating such high temperatures using a line-focusing collector and an air-stable receiver has the potential to change the current CSP paradigm because it would: (1) result in large improvements in system-level efficiency of line-focusing systems by enabling the use of high-efficiency supercritical CO 2 power cycles; (2) decrease the LCOE of line-focusing systems to meet SETO 2030 goals; (3) maintain performance over the lifetime of the CSP plant by avoiding issues related to breakdown of vacuum. The use of aerogels as transparent insulating materials (TIMs) in solar thermal receivers has the potential to enable such improvements. Specifically, aerogels can be placed in front of a black (or partially selective) high-temperature absorber to allow sunlight to transmit to the absorber but block heat from escaping. These materials can improve the efficiency and simplify the complexity of thermal transport systems by enabling operation at moderate or no vacuum levels. These potential benefits have been explicitly identified by SETO as ‘high impact’. The use of mesoporous silica as a TIM has already led to large improvements in solar collection efficiency. Nevertheless, these materials inherently lose structural integrity and the ability to suppress radiation losses at high temperatures. Here, we address these challenges by leveraging 1-cycle atomic layer deposition of aluminum oxide onto a silica aerogel to form a thermally stable interfacial layer that is transparent to sunlight but broadly absorbs in the mid-infrared. This interfacial absorption results in a two-fold reduction in measured heat losses from an absorber at 700°C and solar thermal efficiency of 81% at 700°C under 60 Suns, based on measurements of heat loss and solar transmittance. Extended-duration heat treatment reveals that the multicomponent aerogel is stable at high temperatures relative to a silica aerogel. Furthermore, we experimentally demonstrate the concept of using infrared plasmon resonances to selectively enhance the thermal absorption coefficient of TIMs in order to strongly suppress thermal radiative losses at high temperatures. We term this mechanism plasmon-enhanced greenhouse selectivity (PEGS). Unlike silica aerogels, where much of the IR absorption is lost at high temperatures, local surface plasmon resonances (LSPRs) in doped oxide nanoparticles overlap a significant portion of the blackbody spectrum and are maintained at high temperatures. Overall, this work paves the way for next-generation solar thermal energy using thermally robust transparent insulating materials.

14 SOLAR ENERGY↗

Robust and Spectrally Selective Aerogels for Solar Receivers (Final Technical Report)

The development of next generation concentrated solar thermal (CST) plants requires solar receivers to reach high temperatures (> 600°C) while minimizing costs. Efficiently generating such high temperatures using a line-focusing collector and an air-stable receiver has the potential to change the current CSP paradigm because it would: (1) result in large improvements in system-level efficiency of line-focusing systems by enabling the use of high-efficiency supercritical CO2 power cycles; (2) decrease the LCOE of line-focusing systems to meet SETO 2030 goals; (3) maintain performance over the lifetime of the CSP plant by avoiding issues related to breakdown of vacuum. The use of aerogels as transparent insulating materials (TIMs) in solar thermal receivers has the potential to enable such improvements. Specifically, aerogels can be placed in front of a black (or partially selective) high-temperature absorber to allow sunlight to transmit to the absorber but block heat from escaping. These materials can improve the efficiency and simplify the complexity of thermal transport systems by enabling operation at moderate or no vacuum levels. These potential benefits have been explicitly identified by SETO as ‘high impact’. The use of mesoporous silica as a TIM has already led to large improvements in solar collection efficiency. Nevertheless, these materials inherently lose structural integrity and the ability to suppress radiation losses at high temperatures. Here, we address these challenges by leveraging 1-cycle atomic layer deposition of aluminum oxide onto a silica aerogel to form a thermally stable interfacial layer that is transparent to sunlight but broadly absorbs in the mid-infrared. This interfacial absorption results in a two-fold reduction in measured heat losses from an absorber at 700°C and solar thermal efficiency of 81% at 700°C under 60 Suns, based on measurements of heat loss and solar transmittance. Extended-duration heat treatment reveals that the multicomponent aerogel is stable at high temperatures relative to a silica aerogel. Furthermore, we experimentally demonstrate the concept of using infrared plasmon resonances to selectively enhance the thermal absorption coefficient of TIMs in order to strongly suppress thermal radiative losses at high temperatures. We term this mechanism plasmon-enhanced greenhouse selectivity (PEGS). Unlike silica aerogels, where much of the IR absorption is lost at high temperatures, local surface plasmon resonances (LSPRs) in doped oxide nanoparticles overlap a significant portion of the blackbody spectrum and are maintained at high temperatures. Overall, this work paves the way for next-generation solar thermal energy using thermally robust transparent insulating materials.

14 SOLAR ENERGY↗

COMOC: Three dimensional boundary region variant, programmer's manual

The three-dimensional boundary region variant of the COMOC computer program system solves the partial differential equation system governing certain three-dimensional flows of a viscous, heat conducting, multiple-species, compressible fluid including combustion. The solution is established in physical variables, using a finite element algorithm for the boundary value portion of the problem description in combination with an explicit marching technique for the initial value character. The computational lattice may be arbitrarily nonregular, and boundary condition constraints are readily applied. The theoretical foundation of the algorithm, a detailed description on the construction and operation of the program, and instructions on utilization of the many features of the code are presented.

Orzechowski, J. A.↗

Thermostructural Analysis of Carbon Cloth Phenolic Material Tested at the Laser Hardened Material Evaluation Laboratory

RSRM nozzle liner components have been analyzed and tested to explore the occurrence of anomalous material performance known as pocketing erosion. Primary physical factors that contribute to pocketing seem to include the geometric permeability, which governs pore pressure magnitudes and hence load, and carbon fiber high temperature tensile strength, which defines a material limiting capability. The study reports on the results of a coupled thermostructural finite element analysis of Carbon Cloth Phenolic (CCP) material tested at the Laser Hardened Material Evaluation Laboratory (the LHMEL facility). Modeled test configurations will be limited to the special case of where temperature gradients are oriented perpendicular to the composite material ply angle. Analyses were conducted using a transient, one-dimensional flow/thermal finite element code that models pore pressure and temperature distributions and in an explicitly coupled formulation, passes this information to a 2-dimensional finite element structural model for determination of the stress/deformation behavior of the orthotropic fiber/matrix CCP. Pore pressures are generated by thermal decomposition of the phenolic resin which evolve as a multi-component gas phase which is partially trapped in the porous microstructure of the composite. The nature of resultant pressures are described by using the Darcy relationships which have been modified to permit a multi-specie mass and momentum balance including water vapor condensation. Solution to the conjugate flow/thermal equations were performed using the SINDA code. Of particular importance to this problem was the implementation of a char and deformation state dependent (geometric) permeability as describing a first order interaction between the flow/thermal and structural models. Material property models are used to characterize the solid phase mechanical stiffness and failure. Structural calculations were performed using the ABAQUS code. Iterations were made between the two codes involving the dependent variables temperature, pressure and across-ply strain level. Model results comparisons are made for three different surface heat rates and dependent variable sensitivities discussed for the various cases.

Clayton, J. Louie↗

Solution of partial differential equations on vector and parallel computers

The present status of numerical methods for partial differential equations on vector and parallel computers was reviewed. The relevant aspects of these computers are discussed and a brief review of their development is included, with particular attention paid to those characteristics that influence algorithm selection. Both direct and iterative methods are given for elliptic equations as well as explicit and implicit methods for initial boundary value problems. The intent is to point out attractive methods as well as areas where this class of computer architecture cannot be fully utilized because of either hardware restrictions or the lack of adequate algorithms. Application areas utilizing these computers are briefly discussed.

Ortega, J. M.↗