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At least 1,063 records · Page 59

A proximal trust-region method for nonsmooth optimization with inexact function and gradient evaluations

Many applications require minimizing the sum of smooth and nonsmooth functions. For example, basis pursuit denoising problems in data science require minimizing a measure of data misfit plus an $\ell^1$-regularizer. Similar problems arise in the optimal control of partial differential equations (PDEs) when sparsity of the control is desired. Here, we develop a novel trust-region method to minimize the sum of a smooth nonconvex function and a nonsmooth convex function. Our method is unique in that it permits and systematically controls the use of inexact objective function and derivative evaluations. When using a quadratic Taylor model for the trust-region subproblem, our algorithm is an inexact, matrix-free proximal Newton-type method that permits indefinite Hessians. We prove global convergence of our method in Hilbert space and demonstrate its efficacy on three examples from data science and PDE-constrained optimization.

97 MATHEMATICS AND COMPUTING↗

Oak Ridge Institutional Cluster Autotune Test Drive Report

The Oak Ridge Institutional Cluster (OIC) provides general purpose computational resources for the ORNL staff to run computation heavy jobs that are larger than desktop applications but do not quite require the scale and power of the Oak Ridge Leadership Computing Facility (OLCF). This report details the efforts made and conclusions derived in performing a short test drive of the cluster resources on Phase 5 of the OIC. EnergyPlus was used in the analysis as a candidate user program and the overall software environment was evaluated against anticipated challenges experienced with resources such as the shared memory-Nautilus (JICS) and Titan (OLCF). The OIC performed within reason and was found to be acceptable in the context of running EnergyPlus simulations. The number of cores per node and the availability of scratch space per node allow non-traditional desktop focused applications to leverage parallel ensemble execution. Although only individual runs of EnergyPlus were executed, the software environment on the OIC appeared suitable to run ensemble simulations with some modifications to the Autotune workflow. From a standpoint of general usability, the system supports common Linux libraries, compilers, standard job scheduling software (Torque/Moab), and the OpenMPI library (the only MPI library) for MPI communications. The file system is a Panasas file system which literature indicates to be an efficient file system.

99 GENERAL AND MISCELLANEOUS↗

Large-Scale Additive Manufacturing of Silicon Carbide with Process Monitoring

This report summarizes new capabilities in additive manufacturing (AM) of large-scale silicon carbide (SiC) components under the Advanced Materials and Manufacturing Technologies (AMMT) program. SiC is a promising material that is being considered for many advanced reactor designs due to its high temperature strength, radiation tolerance, minimal neutron absorption, and oxidation resistance [1-8]. One of the primary limitations to using SiC as an in-core structural material is the inability to fabricate large SiC components with complex geometries. While under the former Transformational Challenge Reactor (TCR) program, ceramic AM systems at the Oak Ridge National Laboratory (ORNL) were limited in the quantity and overall size achievable for producing ceramic AM components. To address this, ORNL has improved its infrastructure for binder jet and chemical vapor infiltration (CVI) processes with cutting-edge equipment coming online in a newly renovated laboratory space capable of producing larger components and higher throughput without compromise on part size. This report details the laboratory renovation progress, focusing specifically on the DesktopMetal (formerly ExOne) X25Pro binder jet, a large scale CVI furnace, and the added functionality of a software tool called Peregrine for quality assurance and control purposes.

36 MATERIALS SCIENCE↗

Experiments and Theoretical Data for Studying the Impact of Fission Yield Uncertainties on the Nuclear Fuel Cycle with TALYS/GEF and the Total Monte Carlo Method

We describe the research program of the nuclear reactions research group at Uppsala University concerning experimental and theoretical efforts to quantify and reduce nuclear data uncertainties relevant for the nuclear fuel cycle. We briefly describe the Total Monte Carlo (TMC) methodology and how it can be used to study fuel cycle and accident scenarios, and summarize our relevant experimental activities. Input from the latter is to be used to guide the nuclear models and constrain parameter space for TMC. The TMC method relies on the availability of good nuclear models. For this we use the TALYS code which is currently being extended to include the GEF model for the fission channel. We present results from TALYS-1.6 using different versions of GEF with both default and randomized input parameters and compare calculations with experimental data for {sup 234}U(n,f) in the fast energy range. These preliminary studies reveal some systematic differences between experimental data and calculations but give overall good and promising results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SU-E-T-561: Monte Carlo-Based Organ Dose Reconstruction Using Pre-Contoured Human Model for Hodgkins Lymphoma Patients Treated by Cobalt-60 External Beam Therapy

Purpose: Organ doses for the Hodgkin’s lymphoma patients treated with cobalt-60 radiation were estimated using an anthropomorphic model and Monte Carlo modeling. Methods: A cobalt-60 treatment unit modeled in the BEAMnrc Monte Carlo code was used to produce phase space data. The Monte Carlo simulation was verified with percent depth dose measurement in water at various field sizes. Radiation transport through the lung blocks were modeled by adjusting the weights of phase space data. We imported a precontoured adult female hybrid model and generated a treatment plan. The adjusted phase space data and the human model were imported to the XVMC Monte Carlo code for dose calculation. The organ mean doses were estimated and dose volume histograms were plotted. Results: The percent depth dose agreement between measurement and calculation in water phantom was within 2% for all field sizes. The mean organ doses of heart, left breast, right breast, and spleen for the selected case were 44.3, 24.1, 14.6 and 3.4 Gy, respectively with the midline prescription dose of 40.0 Gy. Conclusion: Organ doses were estimated for the patient group whose threedimensional images are not available. This development may open the door to more accurate dose reconstruction and estimates of uncertainties in secondary cancer risk for Hodgkin’s lymphoma patients. This work was partially supported by the intramural research program of the National Institutes of Health, National Cancer Institute, Division of Cancer Epidemiology and Genetics.

61 RADIATION PROTECTION AND DOSIMETRY↗

TU-AB-BRC-08: Egs-brachy, a Fast and Versatile Monte Carlo Code for Brachytherapy Applications

Purpose: To introduce egs-brachy, a new, fast, and versatile Monte Carlo code for brachytherapy applications. Methods: egs-brachy is an EGSnrc user-code based on the EGSnrc C++ class library (egs++). Complex phantom, applicator, and source model geometries are built using the egs++ geometry module. egs-brachy uses a tracklength estimator to score collision kerma in voxels. Interaction, spectrum, energy fluence, and phase space scoring are also implemented. Phase space sources and particle recycling may be used to improve simulation efficiency. HDR treatments (e.g. stepping source through dwell positions) can be simulated. Standard brachytherapy seeds, as well as electron and miniature x-ray tube sources are fully modelled. Variance reduction techniques for electron source simulations are implemented (Bremsstrahlung cross section enhancement, uniform Bremsstrahlung splitting, and Russian Roulette). TG-43 parameters of seeds are computed and compared to published values. Example simulations of various treatments are carried out on a single 2.5 GHz Intel Xeon E5-2680 v3 processor core. Results: TG-43 parameters calculated with egs-brachy show excellent agreement with published values. Using a phase space source, 2% average statistical uncertainty in the PTV ((2mm){sup 3} voxels) can be achieved in 10 s for 100 {sup 125}I or {sup 103}Pd seeds in a 36.2 cm{sup 3} prostate PTV, 31 s for 64 {sup 103}Pd seeds in a 64 cm{sup 3} breast PTV, and 56 s for a miniature x-ray tube in a 27 cm{sup 3} breast PTV. Comparable uncertainty is reached in 12 s in a (1 mm){sup 3} water voxel 5 mm away from a COMS 16mm eye plaque with 13 {sup 103}Pd seeds. Conclusion: The accuracy of egs-brachy has been demonstrated through benchmarking calculations. Calculation times are sufficiently fast to allow full MC simulations for routine treatment planning for diverse brachytherapy treatments (LDR, HDR, miniature x-ray tube). egs-brachy will be available as free and open-source software to the medical physics research community. This work is partially funded by the Canada Research Chairs program, the Natural Sciences and Engineering Research Council of Canada, and the Ontario Ministry of Research and Innovation (Ontario Early Researcher Award).

60 APPLIED LIFE SCIENCES↗

DOE-RCT-0003641 Final Technical Report

This program studied novel concepts for an Axial Flux Reluctance Machine to capture energy from marine hydrokinetic sources and compared their attributes to a Radial Flux Reluctance Machine which was designed under a prior Department of Energy program for the same application. Detailed electromagnetic and mechanical analyses were performed to determine the validity of the concept and to provide a direct comparison with the existing conventional Radial Flux Switched Reluctance Machine designed during the Advanced Wave Energy Conversion Project, DE-EE0003641. The alternate design changed the machine topology so that the flux that is switched flows axially rather than radially and the poles themselves are long radially, as opposed to the radial flux machine that has pole pieces that are long axially. It appeared possible to build an axial flux machine that should be considerably more compact than the radial machine. In an “apples to apples” comparison, the same rules with regard to generating magnetic force and the fundamental limitations of flux density hold, so that at the heart of the machine the same torque equations hold. The differences are in the mechanical configuration that limits or enhances the change of permeance with rotor position, in the amount of permeable iron required to channel the flux via the pole pieces to the air-gaps, and in the sizing and complexity of the electrical winding. Accordingly it was anticipated that the magnetic component weight would be similar but that better use of space would result in a shorter machine with accompanying reduction in housing and support structure. For the comparison the pole count was kept the same at 28 though it was also expected that the radial tapering of the slots between pole pieces would permit a higher pole count machine, enabling the generation of greater power at a given speed in some future design. The baseline Radial Flux Machine design was established during the previous DOE program. Its characteristics were tabulated for use in comparing to the Axial Flux Machine. Three basic conceptual designs for the Axial Flux Machine were considered: (1) a machine with a single coil at the inner diameter of the machine, (2) a machine with a single coil at the outside diameter of the machine, and (3) a machine with a coil around each tooth. Slight variations of these basic configurations were considered during the study. Analysis was performed on these configurations to determine the best candidate design to advance to preliminary design, based on size, weight, performance, cost and manufacturability. The configuration selected as the most promising was the multi-pole machine with a coil around each tooth. This configuration provided the least complexity with respect to the mechanical configuration and manufacturing, which would yield the highest reliability and lowest cost machine of the three options. A preliminary design was performed on this selected configuration. For this first ever axial design of the multi rotor configuration the 'apples to apples' comparison was based on using the same length of rotor pole as the axial length of rotor pole in the radial machine and making the mean radius of the rotor in the axial machine the same as the air gap radius in the radial machine. The tooth to slot ratio at the mean radius of the axial machine was the same as the tooth to slot ratio of the radial machine. The comparison between the original radial flux machine and the new axial flux machine indicates that for the same torque, the axial flux machine diameter will be 27% greater, but it will have 30% of the length, and 76% of the weight. Based on these results, it is concluded that an axial flux reluctance machine presents a viable option for large generators to be used for the capture of wave energy. In the analysis of Task 4, below, it is pointed out that our selection of dimensional similarity for the 'apples to apples' comparison did not produce an optimum axial flux design. There is torque capability to spare, implying we could reduce the magnetic structure, but the winding area, constrained by the pole separation at the inner pole radius has a higher resistance than desirable, implying we need more room for copper. The recommendation is to proceed via one cycle of optimization and review to correct this unbalance and then proceed to a detailed design phase to produce manufacturing drawings, followed by the construction of a prototype to test the performance of the machine against predicted results.

16 TIDAL AND WAVE POWER↗

Stellar mass as a galaxy cluster mass proxy: application to the Dark Energy Survey redMaPPer clusters

Abstract We introduce a galaxy cluster mass observable, μ⋆, based on the stellar masses of cluster members, and we present results for the Dark Energy Survey (DES) Year 1 (Y1) observations. Stellar masses are computed using a Bayesian model averaging method, and are validated for DES data using simulations and COSMOS data. We show that μ⋆ works as a promising mass proxy by comparing our predictions to X-ray measurements. We measure the X-ray temperature–μ⋆ relation for a total of 129 clusters matched between the wide-field DES Y1 redMaPPer catalogue and Chandra and XMM archival observations, spanning the redshift range 0.1 < $z$ < 0.7. For a scaling relation that is linear in logarithmic space, we find a slope of α = 0.488 ± 0.043 and a scatter in the X-ray temperature at fixed μ⋆ of $\sigma _{{\rm ln} T_\mathrm{ X}|\mu _\star }= 0.266^{+0.019}_{-0.020}$ for the joint sample. By using the halo mass scaling relations of the X-ray temperature from the Weighing the Giants program, we further derive the μ⋆-conditioned scatter in mass, finding $\sigma _{{\rm ln} M|\mu _\star }= 0.26^{+ 0.15}_{- 0.10}$. These results are competitive with well-established cluster mass proxies used for cosmological analyses, showing that μ⋆ can be used as a reliable and physically motivated mass proxy to derive cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

Generalized symmetries, gravity, and the swampland

Generalized global symmetries are a common feature of many quantum field theories decoupled from gravity. By contrast, in quantum gravity/the Swampland program, it is widely expected that all global symmetries are either gauged or broken, and this breaking is in turn related to the expected completeness of the spectrum of charged states in quantum gravity. We investigate the fate of such symmetries in the context of 7D and 5D vacua realized by compact Calabi-Yau spaces with localized singularities in M theory. We explicitly show how gravitational backgrounds support additional dynamical degrees of freedom which trivialize (i.e., “break”) the higher symmetries of the local geometric models. Local compatibility conditions across these different sectors lead to gluing conditions for gauging higher-form and (in the 5D case) higher-group symmetries. This also leads to a preferred global structure of the gauge group and higher-form gauge symmetries. In cases based on a genus-one fibered Calabi-Yau space, we also get an F-theory model in one higher dimension with corresponding constraints on the global form of the gauge group. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Global-Address Networking (GASNet-1) Library

GASNet is a language-independent, networking middleware layer that provides network-independent, high-performance communication primitives including Remote Memory Access (RMA) and Active Messages (AM). It has been used to implement parallel programming models and libraries such as UPC, Co-Array Fortran, Titanium, Legion, Chapel, and many others. The interface is primarily intended as a compilation target and for use by runtime library writers (as opposed to end users), and the primary goals are high performance, interface portability, and expressiveness. GASNet stands for "Global-Address Space Networking".

SciDAC↗

Measurement of Nuclear Recoils in the CDMS II Dark Matter Search

The Cryogenic Dark Matter Search (CDMS) experiment is designed to directly detect elastic scatters of weakly-interacting massive dark matter particles (WIMPs), on target nuclei in semiconductor crystals composed of Si and Ge. These scatters would occur very rarely, in an overwhelming background composed primarily of electron recoils from photons and electrons, as well as a smaller but non-negligible background of WIMP-like nuclear recoils from neutrons. The CDMS II generation of detectors simultaneously measure ionization and athermal phonon signals from each scatter, allowing discrimination against virtually all electron recoils in the detector bulk. Pulse-shape timing analysis allows discrimination against nearly all remaining electron recoils taking place near detector surfaces. Along with carefully limited neutron backgrounds, this experimental program allowed for \background- free" operation of CDMS II at Soudan, with less than one background event expected in each WIMP-search analysis. As a result, exclusionary upper-limits on WIMP-nucleon interaction cross section were placed over a wide range of candidate WIMP masses, ruling out large new regions of parameter space.

79 ASTRONOMY AND ASTROPHYSICS↗

Flexible Stellarator Physics Facility

We propose to build a Flexible Stellarator Physics Facility to explore promising regions of the vast parameter space of disruption-free stellarator solutions for Fusion Pilot Plants (FPPs). The FESAC Long Range Plan recognized the quasi-symmetric stellarator as “the leading US approach to developing disruption-free, low-recirculating-power fusion configurations”. To deliver the ambitious Decadal Vision for Commercial Fusion Energy, we must establish a persuasive stellarator program in parallel to the tokamak one: the stellarator will prove to be a better path to a reactor if theoretical predictions are confirmed and novel optimization techniques and strategies work as desired. Since the release of the Long Range Plan in 2020, stellarators have arguably made the most significant advances of all fusion concepts. Groundbreaking results from W7-X demonstrated low neoclassical transport and the successful operation of the island divertor. Advances in theory and modeling now allow us to minimize turbulent transport, to achieve equilibria with precise quasisymmetry, to reduce neoclassical transport and fast ion loss to levels far below what has been previously achieved, and to minimize the effect of coil manufacturing errors. If realized, these advances will lead to cost-effective stellarator designs with confinement comparable to tokamaks but without the fundamental challenges of disruptions and current drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Neutrino-argon cross-section measurements from the MicroBooNE experiment

MicroBooNE is a liquid argon time projection chamber (LArTPC) neutrino detector located along the Fermilab Booster Neutrino Beam and 8 degrees off-axis to the Neutrinos at the Main Injector beam. MicroBooNE collected data from both beams accumulating a large neutrino-argon scattering dataset containing hundreds of thousands of events. Understanding neutrino-argon interactions is crucial for the next generation of neutrino oscillation experiments including DUNE. MicroBooNE has developed pioneering methodologies and novel reconstruction tools in order to benchmark models at very high sensitivity across the interaction phase space, including for ultra-rare channels. This proceeding presents an overview of the most recent MicroBooNE neutrino interaction results. These measurements span inclusive, CC0$π$, and rare channels including $Λ$, $K^+$ and $η$ production, providing invaluable datasets for constraining backgrounds and improving the modeling of neutrino scattering critical for the broader LArTPC neutrino physics program.

Liu, Liang [Fermilab] (ORCID:000000026753925X)↗

Automated detector simulation and reconstruction parametrization using machine learning

Rapidly applying the effects of detector response to physics objects (e.g. electrons, muons, showers of particles) is essential in high energy physics. Presently available tools for the transformation from truth-level physics objects to reconstructed detector-level physics objects involve manually defining resolution functions. These resolution functions are typically derived in bins of variables that are correlated with the resolution (e.g. pseudorapidity and transverse momentum). This process is time consuming, requires manual updates when detector conditions change, and can miss important correlations. Machine learning offers a way to automate the process of building these truth-to-reconstructed object transformations and can capture complex correlation for any given set of input variables. Such machine learning algorithms, with sufficient optimization, could have a wide range of applications: improving phenomenological studies by using a better detector representation, allowing for more efficient production of Geant4 simulation by only simulating events within an interesting part of phase space, and studies on future experimental sensitivity to new physics.

47 OTHER INSTRUMENTATION↗

FOX: A Fault Oblivious Extreme-Scale Execution Environment

The FOX project, funded under the ASCR X-stack I program, developed systems software and runtime libraries for a new approach to the data and work distribution for massively parallel, fault oblivious application execution. Our work was motivated by the premise that exascale computing systems will provide a thousand-fold increase in parallelism and a proportional increase in failure rate relative to today’s machines. To deliver the capability of exascale hardware, the systems software must provide the infrastructure to support existing applications while simultaneously enabling efficient execution of new programming models that naturally express dynamic, adaptive, irregular computation; coupled simulations; and massive data analysis in a highly unreliable hardware environment with billions of threads of execution. Our OS research has prototyped new methods to provide efficient resource sharing, synchronization, and protection in a many-core compute node. We have experimented with alternative task/dataflow programming models and shown scalability in some cases to hundreds of thousands of cores. Much of our software is in active development through open source projects. Concepts from FOX are being pursued in next generation exascale operating systems. Our OS work focused on adaptive, application tailored OS services optimized for multi → many core processors. We developed a new operating system NIX that supports role-based allocation of cores to processes which was released to open source. We contributed to the IBM FusedOS project, which promoted the concept of latency-optimized and throughput-optimized cores. We built a task queue library based on distributed, fault tolerant key-value store and identified scaling issues. A second fault tolerant task parallel library was developed, based on the Linda tuple space model, that used low level interconnect primitives for optimized communication. We designed fault tolerance mechanisms for task parallel computations employing work stealing for load balancing that scaled to the largest existing supercomputers. Finally, we implemented the Elastic Building Blocks runtime, a library to manage object-oriented distributed software components. To support the research, we won two INCITE awards for time on Intrepid (BG/P) and Mira (BG/Q). Much of our work has had impact in the OS and runtime community through the ASCR Exascale OS/R workshop and report, leading to the research agenda of the Exascale OS/R program. Our project was, however, also affected by attrition of multiple PIs. While the PIs continued to participate and offer guidance as time permitted, losing these key individuals was unfortunate both for the project and for the DOE HPC community.

97 MATHEMATICS AND COMPUTING↗

DSMC simulation of two-phase plume flow with UV radiation

Rarefied gas-particle two-phase plume in which the phase of particles is liquid or solid flows from a solid propellant rocket of hypersonic vehicle flying at high altitudes, the aluminum oxide particulates not only impact the rarefied gas flow properties, but also make a great difference to plume radiation signature, so the radiation prediction of the rarefied gas-particle two-phase plume flow is very important for space target detection of hypersonic vehicles. Accordingly, this project aims to study the rarefied gas-particle two-phase flow and ultraviolet radiation (UV) characteristics. Considering a two-way interphase coupling of momentum and energy, the direct simulation Monte Carlo (DSMC) method is developed for particle phase change and the particle flow, including particulate collision, coalescence as well as separation, and a Monte Carlo ray trace model is implemented for the particulate UV radiation. A program for the numerical simulation of the gas-particle two-phase flow and radiation in which the gas flow nonequilibrium is strong is implemented as well. Ultraviolet radiation characteristics of the particle phase is studied based on the calculation of the flow field coupled with the radiation calculation, the radiation model for different size particles is analyzed, focusing on the effects of particle emission, absorption, scattering as well as the searchlight emission of the nozzle. A new approach may be proposed to describe the rarefied gas-particle two-phase plume flow and radiation transfer characteristics in this project.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Targeted modification of hardware trojans

The use of untrusted design tools, components, and designers, coupled with untrusted device fabrication, introduces the possibility of malicious modifications being made to integrated circuits (ICs) during their design and fabrication. These modifications are known as hardware trojans. The widespread use of commercially purchased 3rd party intellectual property (3PIP) and commercial design tools extends even into trusted design flows. Unfortunately, due to the theoretical result that there is no program that can decide whether any other program will eventually halt, we know that the properties of a program, or circuit, cannot be known in advance of running it. While we can design a circuit to meet some functional specification and generate a simulation or test suite to obtain at least probabilistic confidence that the circuit implements the intended functionality, we cannot test a circuit for unintended functionality due to the combinatorially large state space. To address these concerns, we have developed a design-time method for automatically and systematically modifying portions of a design that exhibit characteristics of hardware trojans. After each modification, the functionality of the design is verified against a comprehensive simulation suite to ensure that the intended circuit functionality has not been changed. This approach can be applied to any digital circuit and does not rely on secret keys or obfuscation.

97 MATHEMATICS AND COMPUTING↗

Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis

Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed

97 MATHEMATICS AND COMPUTING↗