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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Utilization of ACE nuclear data file toolkit ACEtk to calculate relative sensitivity coefficients of point-kinetics parameters

Sensitivity and uncertainty methods are quintessential for nuclear criticality safety and experiment design. This type of analysis relies on calculations of sensitivity coefficients; sensitivity coefficients of the effective neutron multiplication factor with respect to some nuclear data are predominantly calculated and used. As a part of the Laboratory Directed Research & Development project EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data) at Los Alamos National Laboratory, sensitivity coefficients of many radiation detector measurement responses with respect to nuclear data were investigated. Specifically, this paper outlines a method to calculate point-kinetics parameters relative sensitivity coefficients with respect to nuclear data. Point-kinetics parameters such as the prompt neutron decay constant, effective delayed neutron fraction, and neutron generation time are especially important to experimenters and reactor operators designing systems with dynamic neutron populations. This method couples capabilities of the ACE (A Compact ENDF) nuclear data file toolkit, ACEtk, with the ability to load cross sections into the radiation transport code Monte Carlo N-Particle (MCNP). In conclusion, key aspects of optimizing this method for a particular application and sensitivity profiles of the Jezebel criticality experiment are examined and discussed.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2021

White Box Access to Quantum Testbeds for Co-Design

At Lawrence Livermore National Laboratory (LLNL), we operate and maintain the Quantum Device and Integration Testbed (QuDIT) facility, a small quantum testbed that supports about 10 active research teams (including our own) and over 50 internal and external collaborators. This testbed is designed to give remote white box access to users for research, training, and outreach. A guiding principle behind the development of our testbed infrastructure, software and user interfaces is to empower users to perform experiments at the cutting edge of quantum information science at any level of abstraction, from materials studies, device physics and control and characterization techniques to algorithm development and quantum operating system design. Our testbed targets a multilevel quantum system (qudit) to expand the accessible Hilbert space of a simple-to-manufacture quantum device and focuses on quantum simulation, typically implemented through custom gates designed with quantum optimal control methods, rather than on a universal computing framework with a fixed gate set. We leverage the Lab’s high-performance computing (HPC) program and related expertise to simulate quantum systems, develop hybrid algorithms, and generate gates optimized for given simulations. Additionally, we have adopted a co-design philosophy from the HPC community in designing new hardware, so that the systems we develop are optimized for the specific physics simulations we plan to use them for.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

An operation verification strategy against network attack of DCS in nuclear power plant - 323

Digital Instrumentation and control (I and C) system serves as the 'senses and nervous system' of a nuclear power plant (NPP). It plays an important role in the safe and economic operation in the NPPs. Digital I and C system has a series of advantages compared with analogue ones, but the introduction of the operation system platform, the application software, and the network communication structure are causing security risk to the power plant. Different kinds of procedures have already been adopted against these risks such as the communication isolation, but the security attacks still occur from time to time in the industrial fields around the world. This paper presents two computer security methods based on the thought of software verification and validation with step-by-step operation identification. First, three scenarios of security attack are proposed according to the structure of a distributed control system (DCS). Then a method with two network bypasses and a security computer are adopted to obtain the operation commands, the actuation signal, and the operation feedback in case of the first two scenarios by identifying the consistency of the obtained data. Furthermore, the method is optimized by combining the operation procedure and the camera shot to identify the anomaly of the information flow, thus to improve the effectiveness against the computer security issues. In the end, the influence and feasibility of this method is discussed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Luminous red galaxies: selection and classification by combining optical and infrared photometry

We describe a new method of combining optical and infrared photometry to select luminous red galaxies (LRGs) at redshifts z>0.6. We explore this technique using a combination of optical photometry from CFHTLS and Hubble Space Telescope, infrared photometry from the Wide-Field Infrared Survey Explorer satellite, and spectroscopic or photometric redshifts from the DEEP2 Galaxy Redshift Survey or COSMOS. We present a variety of methods for testing the success of our selection and present methods for optimization given a set of rest-frame color and redshift requirements. We have tested this selection in two different regions of the sky, the COSMOS and Extended Groth Strip (EGS) fields, to reduce the effect of cosmic/sample variance. We have used these methods to assemble large samples of LRGs for two different ancillary programs as a part of the Sloan Digital Sky Survey (SDSS)-III/Baryon Oscillation Spectroscopic Survey. This technique is now being used to select ∼600,000 LRG targets for SDSS-IV/Extended Baryon Oscillation Spectroscopic Survey, which began observations in Fall 2014, and will be adapted for the proposed Dark Energy Spectroscopic Instrument survey. We have found that these methods can select high-redshift LRGs efficiently with minimal stellar contamination; this is extremely difficult to achieve with selections that rely on optical photometry alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

TH-CD-209-04: Fuzzy Robust Optimization in Intensity-Modulated Proton Therapy Planning to Account for Range and Patient Setup Uncertainties

Purpose: We propose to apply a robust optimization model based on fuzzy-logic constraints in the intensity-modulated proton therapy (IMPT) planning subject to range and patient setup uncertainties. The purpose is to ensure the plan robustness under uncertainty and obtain the best trade-off between tumor dose coverage and organ-at-risk(OAR) sparing. Methods: Two IMPT plans were generated for 3 head-and-neck cancer patients: one used the planning target volume(PTV) method; the other used the fuzzy robust optimization method. In the latter method, nine dose distributions were computed - the nominal one and one each for ±3mm setup uncertainties along three cardinal axes and for ±3.5% range uncertainty. For tumors, these nine dose distributions were explicitly controlled by adding hard constraints with adjustable parameters. For OARs, fuzzy constraints that allow the dose to vary within a certain range were used so that the tumor dose distribution was guaranteed by minimum compromise of that of OARs. We rendered this model tractable by converting the fuzzy constraints to linear constraints. The plan quality was evaluated using dose-volume histogram(DVH) indices such as tumor dose coverage(D95%), homogeneity(D5%-D95%), plan robustness(DVH band at D95%), and OAR sparing like D1% of brain and D1% of brainstem. Results: Our model could yield clinically acceptable plans. The fuzzy-logic robust optimization method produced IMPT plans with comparable target dose coverage and homogeneity compared to the PTV method(unit: Gy[RBE]; average[min, max])(CTV D95%: 59 [52.7, 63.5] vs 53.5[46.4, 60.1], CTV D5% - D95%: 11.1[5.3, 18.6] vs 14.4[9.2, 21.5]). It also generated more robust plans(CTV DVH band at D95%: 3.8[1.2, 5.6] vs 11.5[6.2, 16.7]). The parameters of tumor constraints could be adjusted to control the tradeoff between tumor coverage and OAR sparing. Conclusion: The fuzzy-logic robust optimization generates superior IMPT with minimum compromise of OAR sparing. This research was supported by the National Cancer Institute Career Developmental Award K25CA168984, by the Fraternal Order of Eagles Cancer Research Fund Career Development Award, by The Lawrence W. and Marilyn W. Matteson Fund for Cancer Research, by Mayo Arizona State University Seed Grant, and by The Kemper Marley Foundation. eRA Person ID(s) for the Principal Investigator: 11017970 (Research Supported by National Institutes of Health)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Photometric redshift estimation with convolutional neural networks and galaxy images: Case study of resolving biases in data-driven methods

Deep-learning models have been increasingly exploited in astrophysical studies, but these data-driven algorithms are prone to producing biased outputs that are detrimental for subsequent analyses. In this work, we investigate two main forms of biases: class-dependent residuals, and mode collapse. We do this in a case study, in which we estimate photometric redshift as a classification problem using convolutional neural networks (CNNs) trained with galaxy images and associated spectroscopic redshifts. We focus on point estimates and propose a set of consecutive steps for resolving the two biases based on CNN models, involving representation learning with multichannel outputs, balancing the training data, and leveraging soft labels. The residuals can be viewed as a function of spectroscopic redshift or photometric redshift, and the biases with respect to these two definitions are incompatible and should be treated individually. We suggest that a prerequisite for resolving biases in photometric space is resolving biases in spectroscopic space. Experiments show that our methods can better control biases than benchmark methods, and they are robust in various implementing and training conditions with high-quality data. Our methods hold promises for future cosmological surveys that require a good constraint of biases, and they may be applied to regression problems and other studies that make use of data-driven models. Nonetheless, the bias-variance tradeoff and the requirement of sufficient statistics suggest that we need better methods and optimized data usage strategies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

MO-G-BRE-03: Automated Continuous Monitoring of Patient Setup with Second-Check Independent Image Registration

Purpose: To create a non-supervised quality assurance program to monitor image-based patient setup. The system acts a secondary check by independently computing shifts and rotations and interfaces with Varian's database to verify therapist's work and warn against sub-optimal setups. Methods: Temporary digitally-reconstructed radiographs (DRRs) and OBI radiographic image files created by Varian's treatment console during patient setup are intercepted and used as input in an independent registration module customized for accuracy that determines the optimal rotations and shifts. To deal with the poor quality of OBI images, a histogram equalization of the live images to the DDR counterparts is performed as a pre-processing step. A search for the most sensitive metric was performed by plotting search spaces subject to various translations and convergence analysis was applied to ensure the optimizer finds the global minima. Final system configuration uses the NCC metric with 150 histogram bins and a one plus one optimizer running for 2000 iterations with customized scales for translations and rotations in a multi-stage optimization setup that first corrects and translations and subsequently rotations. Results: The system was installed clinically to monitor and provide almost real-time feedback on patient positioning. On a 2 month-basis uncorrected pitch values were of a mean 0.016° with standard deviation of 1.692°, and couch rotations of − 0.090°± 1.547°. The couch shifts were −0.157°±0.466° cm for the vertical, 0.045°±0.286 laterally and 0.084°± 0.501° longitudinally. Uncorrected pitch angles were the most common source of discrepancies. Large variations in the pitch angles were correlated with patient motion inside the mask. Conclusion: A system for automated quality assurance of therapist's registration was designed and tested in clinical practice. The approach complements the clinical software's automated registration in terms of algorithm configuration and performance and constitutes a practical approach to implement safe and cost-effective radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

SU-E-T-549: A Combinatorial Optimization Approach to Treatment Planning with Non-Uniform Fractions in Intensity Modulated Proton Therapy

Purpose: Non-uniform fractionation, i.e. delivering distinct dose distributions in two subsequent fractions, can potentially improve outcomes by increasing biological dose to the target without increasing dose to healthy tissues. This is possible if both fractions deliver a similar dose to normal tissues (exploit the fractionation effect) but high single fraction doses to subvolumes of the target (hypofractionation). Optimization of such treatment plans can be formulated using biological equivalent dose (BED), but leads to intractable nonconvex optimization problems. We introduce a novel optimization approach to address this challenge. Methods: We first optimize a reference IMPT plan using standard techniques that delivers a homogeneous target dose in both fractions. The method then divides the pencil beams into two sets, which are assigned to either fraction one or fraction two. The total intensity of each pencil beam, and therefore the physical dose, remains unchanged compared to the reference plan. The objectives are to maximize the mean BED in the target and to minimize the mean BED in normal tissues, which is a quadratic function of the pencil beam weights. The optimal reassignment of pencil beams to one of the two fractions is formulated as a binary quadratic optimization problem. A near-optimal solution to this problem can be obtained by convex relaxation and randomized rounding. Results: The method is demonstrated for a large arteriovenous malformation (AVM) case treated in two fractions. The algorithm yields a treatment plan, which delivers a high dose to parts of the AVM in one of the fractions, but similar doses in both fractions to the normal brain tissue adjacent to the AVM. Using the approach, the mean BED in the target was increased by approximately 10% compared to what would have been possible with a uniform reference plan for the same normal tissue mean BED.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

From neutron star observables to the equation of state. I. An optimal parametrization

The increasing number and precision of measurements of neutron star masses, radii, and, in the near future, moments of inertia offer the possibility of precisely determining the neutron star equation of state (EOS). One way to facilitate the mapping of observables to the EOS is through a parametrization of the latter. We present here a generic method for optimizing the parametrization of any physically allowed EOS. We use mock EOS that incorporate physically diverse and extreme behavior to test how well our parametrization reproduces the global properties of the stars, by minimizing the errors in the observables of mass, radius, and the moment of inertia. We find that using piecewise polytropes and sampling the EOS with five fiducial densities between ∼1–8 times the nuclear saturation density results in optimal errors for the smallest number of parameters. Specifically, it recreates the radii of the assumed EOS to within less than 0.5 km for the extreme mock EOS and to within less than 0.12 km for 95% of a sample of 42 proposed, physically motivated EOS. Such a parametrization is also able to reproduce the maximum mass to within 0.04 M{sub ⊙} and the moment of inertia of a 1.338 M{sub ⊙} neutron star to within less than 10% for 95% of the proposed sample of EOS.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

ASK: Adversarial Soft k-Nearest Neighbor Attack and Defense

K-Nearest Neighbor (kNN)-based deep learning methods have been applied to many applications due to their simplicity and geometric interpretability. However, the robustness of kNN-based deep classification models has not been thoroughly explored and kNN attack strategies are underdeveloped. In this paper, we first propose an Adversarial Soft kNN (ASK) loss for developing more effective kNN-based deep neural network attack strategies and designing better defense methods against them. Our ASK loss provides a differentiable surrogate of the expected kNN classification error. It is also interpretable as it preserves the mutual information between the perturbed input and the in-class-reference data. We use the ASK loss to design a novel attack method called the ASK-Attack (ASK-Atk), which shows superior attack efficiency and accuracy degradation relative to previous kNN attacks on hidden layers. We then derive an ASK-Defense (ASK-Def) method that optimizes the worst-case ASK training loss. Experiments on CIFAR-10 (ImageNet) show that (i) ASK-Atk achieves ≥13% (≥ 13% ) improvement in attack success rate over previous kNN attacks, and (ii) ASK-Def outperforms the conventional adversarial training method by ≥ 6.9% (≥ 3.5% ) in terms of robustness improvement. Relevant codes are available at https://github.com/wangren09/ASK .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Reinforcement Learning-Based Approach for EMT Automation of Large-Scale PV Plants

In the pursuit of efficient and precise modeling of large-scale power systems, particularly utility-scale photovoltaic (PV) plants, Electromagnetic Transient (EMT) simulations play a crucial role. As utility-scale PV plants increase in size and complexity, traditional computational methods become inadequate, necessitating more advanced techniques. This paper highlights the progressive efforts made to accelerate EMT simulations. A novel continuous reinforcement learning (RL) strategy is explored to automate the differentiation and categorization of stiff and non-stiff differential algebraic equations (DAEs). The use of stiff and non-stiff integration methods applied to relevant parts of the DAEs assists with the speed-up of the simulations. The paper details the data acquisition, development and offline training of the RL model, leading to its validation that demonstrates a high precision in optimizing simulation methods. The proposed RL promises to significantly enhance the efficacy of EMT simulations, offering a robust framework for the future of power system analysis.

Xia, Qianxue↗
DOE OSTI2026

Electrochemical Deconstruction of Ortho-Phthalate Plasticizers and Recovery of Plasticizing Moieties

Electrochemical methods for the direct reduction of alkyl esters have been understudied but provide a potential advantage for addressing specific waste streams given that such strategies often require only a minimal chemical profile. One such waste stream that could benefit from electrochemical remediation is poly(vinyl chloride) (PVC) plastics. PVC recycling often faces challenges due to the complexity of such waste. Solvent-based recycling methods pose several advantages for addressing post-use PVC; however, such methods are complicated by the high amounts of toxic legacy plasticizers (ortho-phthalates) present in PVC. A potential solution to addressing such phthalates is to address them electrochemically, coupled with recovery of the resulting valuable products. Presented herein is an optimized electrochemical method for ester activation that is leveraged to separate and recover the aromatic and alkyl components of ortho-phthalate plasticizers. The resulting aliphatic alcohols may be reused to prepare other non-toxic plasticizers. This electro-degradation method is demonstrated on six phthalates that have been identified to pose health concerns in addition to plasticizers recovered from commercial samples of PVC.

di-(2-ethylhexyl) phthalate↗
DOE OSTI2015

Analysis of an optimization-based atomistic-to-continuum coupling method for point defects

Here, we formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Application of a potential-based atomistic model near the defect core enables accurate simulation of the defect. Away from the core, where site energies become nearly independent of the lattice position, the method switches to a more efficient continuum model. The two models are merged by minimizing the mismatch of their states on an overlap region, subject to the atomistic and continuum force balance equations acting independently in their domains. We prove that the optimization problem is well-posed and establish error estimates.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

A field sampling strategy for semivariogram inference of fractures in rock outcrops

The stochastic continuum (SC) representation is one common approach for simulating the effects of fracture heterogeneity in groundwater flow and transport models. These SC reservoir models are generally developed using geostatistical methods (e.g., kriging or sequential simulation) that rely on the model semivariogram to describe the spatial variability of each continuum. Although a number of strategies for sampling spatial distributions have been published in the literature, little attention has been paid to the optimization of sampling in resource- or access-limited environments. Here we present a strategy for estimating the minimum sample spacing needed to define the spatial distribution of fractures on a vertical outcrop of basalt, located in the Box Canyon, east Snake River Plain, Idaho. We used fracture maps of similar basalts from the published literature to test experimentally the effects of different sample spacings on the resulting semivariogram model. Our final field sampling strategy was based on the lowest sample density that reproduced the semivariogram of the exhaustively sampled fracture map. Application of the derived sampling strategy to an outcrop in our field area gave excellent results, and illustrates the utility of this type of sample optimization. The method will work for developing a sampling plan for any intensive property, provided prior information for a similar domain is available; for example, fracture maps or ortho-rectified photographs from analogous rock types could be used to plan for sampling of a fractured rock outcrop.

58 GEOSCIENCES↗
DOE OSTI2015

Optimization of the random multilayer structure to break the random-alloy limit of thermal conductivity

A low lattice thermal conductivity (κ) is desired for thermoelectrics, and a highly anisotropic κ is essential for applications such as magnetic layers for heat-assisted magnetic recording, where a high cross-plane (perpendicular to layer) κ is needed to ensure fast writing while a low in-plane κ is required to avoid interaction between adjacent bits of data. In this work, we conduct molecular dynamics simulations to investigate the κ of superlattice (SL), random multilayer (RML) and alloy, and reveal that RML can have 1–2 orders of magnitude higher anisotropy in κ than SL and alloy. We systematically explore how the κ of SL, RML, and alloy changes relative to each other for different bond strength, interface roughness, atomic mass, and structure size, which provides guidance for choosing materials and structural parameters to build RMLs with optimal performance for specific applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

I ntera C hem : Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics

InteraChem is an ab initio interactive molecular dynamics (AI-IMD) visualizer that leverages recent advances in virtual reality hardware and software, as well as the graphical processing unit (GPU)-accelerated TeraChem electronic structure package, in order to render quantum chemistry in real time. We introduce the exploration of electronically excited states via AI-IMD using the floating occupation molecular orbital-complete active space configuration interaction method. The optimization tools in InteraChem enable identification of excited state minima as well as minimum energy conical intersections for further characterization of excited state chemistry in small- to medium-sized systems. We demonstrate that finite-temperature Hartree–Fock theory is an efficient method to perform ground state AI-IMD. InteraChem allows users to track electronic properties such as molecular orbitals and bond order in real time, resulting in an interactive visualization tool that aids in the interpretation of excited state chemistry data and makes quantum chemistry more accessible for both research and educational purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

AI-Based Optimal Design and Controls Can Greatly Reduce Carbon Emissions and Enhance Resilience in Residential Communities in Cold Climates

Net-zero energy residential communities are crucial for achieving decarbonization goals, but the high-penetration photovoltaic (PV) in those communities is posing challenges to the distribution grid. Traditional design and operation of net-zero communities rely on rule-of-thumb methods and may not work in complex scenarios. Artificial intelligence and machine learning methods can optimally size PV for net-zero energy, identify user preferences and usage patterns, and fully unlock the potential of distributed energy resources to address distribution grid issues.

artificial intelligence↗
DOE OSTI2024

Reduced-dimension Bayesian optimization for model calibration of transient vapor compression cycles

Development and calibration of first-principles dynamic models of vapor compression cycles (VCCs) is of critical importance for applications that include control design and fault detection and diagnostics. Nevertheless, the inherent complexity of models that are represented by large systems of differential–algebraic equations leads to significant challenges for model calibration processes that utilize classical gradient-based methods. Bayesian optimization (BO) is a sample-efficient and gradient-free approach using a probabilistic surrogate model and optimal search over a feasible parameter space. Despite the benefits of BO in reducing computational costs, challenges remain in dealing with a high-dimensional calibration task resulting from a large set of parameters that have significant impacts on system behavior and need to be calibrated simultaneously. This paper presents a reduced-dimension BO framework for calibrating transient VCCs models where the calibration space is projected to a low-dimensional subspace for accelerating convergence of the solution algorithm and consequently reducing the number of transient simulations. The proposed approach was demonstrated via two case studies associated with different VCC applications where 10 parameters were calibrated in each case using laboratory measurements. The reduced-dimension BO framework only required 1 / 8 th of the iterations associated with a standard BO method that deals with high-dimensional calibration parameters for converged solutions and yielded comparable accuracy. Furthermore, both calibrated models revealed significant accuracy improvements compared to uncalibrated models.

Ma, Jiacheng↗