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At least 289 records · Page 16

Resilience Through Data-Driven, Intelligent Designed Control: A Formal Methods Approach

The PNNL and GTRI team developed a strategy to integrate temporal logic rule specification for detection of cyber-intrusion in the source code and control algorithms of CPS using advanced cyber-data. The GTRI team utilized its capabilities in rule synthesis and temporal logic specifications for software assurance and verification to detect and predict impact of cyber-intrusions and malware in the computational and control algorithms of cyber-physical systems. The team also developed a testing and verification approach that could be used to validate the suggested approach against a realistic use-case CPS showcasing improvements in system impact prediction performance. Temporal logic offers a compact expression of events in absolute and relative time and has a formalized translation to state machines. As such, temporal logic rules can feasibly be synthesized to any system as a rule engine, with the process being formally verified to be correct. The goal here is to utilize temporal logic rules to detect cyber-attacks and manipulations in the computational algorithms and provide real-time software assurance and verification guarantees.

97 MATHEMATICS AND COMPUTING↗

Modeling Approach to Critical in the Upcoming CERBERUS Experiment

The planned Critical Experiment Reflected By coppEr to betteR Understand Scattering (CERBERUS) seeks to maximize sensitivity to elastic neutron scattering in the intermediate energy region (0.625 eV to 100 keV). It will be performed near the end of FY 2023 at the National Criticality Experiments Research Center (NCERC). Very few International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmarks are sensitive to copper in this region. Creating a benchmark sensitive in this area will make the Zeus benchmark series, an intermediate benchmark evaluation that uses a copper reflector, more useful for code and nuclear data validation. Approaching criticality in a safe manner is of utmost importance to avoid a criticality accident, which would present a safety concern and could cause damage to equipment. The two rules that are followed closely to ensure that a criticality accident does not occur are the 3/4 rule and the 1/2 rule. The 3/4 rule states that no more than 3/4 of a critical mass can be assembled by hand, and the 1/2 rule states that no more than 1/2 of the material expected to reach criticality, or 1/2 the distance needed to reach criticality, can be added before another measurement of the count rate has been taken. This work will discuss the approach to criticality as modeled in MCNP6® 1 particle transport code with the ENDF/B- VIII.0 cross-section library and the .00c data library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impact of New Physics on the JUNO-Long-Baseline Synergy in Neutrino Mass Ordering Determination

The determination of the neutrino mass ordering is one of the flagship goals in particle physics. A well-known and powerful synergy emerges when combining high-precision measurements of the effective atmospheric mass-squared splitting from electron antineutrino disappearance in reactor experiments with that from muon (anti)neutrino disappearance in accelerator-based long-baseline experiments. To fully exploit this synergy, percent-level precision in the atmospheric mass splitting is required-a target that JUNO is expected to achieve within a few months of data taking. This motivated the formulation of a mass ordering sum rule for neutrino disappearance channels, which shows that by combining data from T2K and NOvA with JUNO after one year of operation, the neutrino mass ordering can be determined at the $3σ$ confidence level. Since JUNO has recently started taking data, it is timely to ask whether this sum rule remains robust in the presence of new physics. We identify the necessary conditions for new physics to affect the sum rule and demonstrate that, in some cases, such effects could lead to an incorrect inference of the mass ordering. As concrete examples, we consider Scalar Non-Standard Interactions (SNSI) and neutrinos coupled to an ultralight scalar field. We find that, for SNSI, current constraints render any modification of the sum rule negligible, whereas in the latter case, the inference of the ordering requires caution. Nevertheless, these effects can be disentangled, illustrating how the sum rule can also be used to search for new physics.

Alves, Gustavo F.S. [Fermilab; Northwestern U.; Sa↗

The fluid definition of the ‘waters of the United States’: Non-uniform effects of regulation on US wetland protections

Recent revisions to the definition of the ‘waters of the United States’ (WOTUS) have considerably altered how wetlands are federally regulated under the Clean Water Act. The two most recent modifications to WOTUS, the Clean Water Rule (CWR) and the Navigable Waters Protection Rule (NWPR), represent two opposing approaches to the federal wetland policy. The impacts of these two rules on the regulation of wetlands have as of yet been poorly characterized at broad spatial scales. Using New York State (NYS) as a case study, we evaluated the jurisdictional statuses of more than 253 000 wetlands under the CWR and the NWPR to assess the landscape-scale effects of WOTUS re-definitions. Here, we found that statewide and within each of NYS's hydrologic regions, the NWPR protects fewer wetlands and less total wetland area than the CWR. The efficacy of the two regulations varied considerably in space across NYS, highlighting the need for comprehensive, nationwide assessments of wetland policy outcomes. We also observed that both rules produced non-uniform patterns in jurisdiction across a range of landscape positions and wetland sizes, preferentially protecting large wetlands close to the stream network. This effect was particularly pronounced under the NWPR, which excludes all geographically isolated wetlands from protection. Our findings in NYS emphasize the existence of unique patterns in protected wetlands across spatial scales, highlighting the value in applying geospatial analyses to evaluate environmental policy.

54 ENVIRONMENTAL SCIENCES↗

Characterization and integration of the singular test integrals in the method-of-moments implementation of the electric-field integral equation

In this paper, we characterize the logarithmic singularities arising in the method of moments from the Green’s function in integrals over the test domain, and we use two approaches for designing geometrically symmetric quadrature rules to integrate these singular integrands. These rules exhibit better convergence properties than quadrature rules for polynomials and, in general, lead to better accuracy with a lower number of quadrature points. In this work, we demonstrate their effectiveness for several examples encountered in both the scalar and vector potentials of the electric-field integral equation (singular, near-singular, and far interactions) as compared to the commonly employed polynomial scheme and the double Ma–Rokhlin–Wandzura (DMRW) rules, whose sample points are located asymmetrically within triangles.

42 ENGINEERING↗

Structural design challenges and implications for high temperature concentrating solar power receivers

High operating temperatures along with diurnal cycling and high operating stresses bring many material and engineering challenges for concentrated solar power (CSP) receivers. Current design rules in ASME Boiler and Pressure Vessel (B&PV) Code for high temperature structural components were not intended for CSP components. The paper reviews the design rules in several sections of ASME B&PV Code in terms of their applicability in designing high temperature CSP receivers. With some restrictions and modifications, the conditions assumed in the design rules in Section III, Division 5 of ASME B&PV Code are found to closely resemble the loading conditions of CSP receiver, including accounting for the interaction between creep and fatigue damage. Further, the paper applies the proposed design rules to an external tubular receiver design and discusses several lessons learned from the design study. The creep damage accumulation due to high thermal stresses resulting from circumferentially non-uniform flux distribution is found to control the design of CSP receivers. Several mitigation actions to improve the design life of receivers are also discussed.

14 SOLAR ENERGY↗

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↗

Kinetic model-based group contribution method for derived cetane number prediction of oxygenated fuel components and blends

A four-step autoignition model was used to derive an expression for the ignition delay (ID) measured in ignition quality testers (IQT) with the derived cetane number (DCN) determined from this ID using the ASTM D6890 standard correlation. The model predicts DCN for individual compounds and blends as a function of each compound's global initiation and net chain branching rate constants. Expressions for these values were determined assuming they could be related to the functional groups present in each compound. Measurement data for 125 compounds and 94 binary and ternary blends (including oxygenates: alcohols, aldehydes, esters, ethers, and ketones), from literature and from measurements performed in our lab, were used to obtain the dependence of the measured ignition delay on each functional group. The new kinetic model-based group contribution method was able to predict the ignition delay of both pure compounds and blends, with an average DCN error of 4.4 (19%) and 2.8 (11%), respectively. Here, the blend model was also used to develop an ID mixing rule by incorporating existing IQT ignition delay data for each compound. Use of the mixing rule gave an average DCN error of 3.6 (16%) for blends. Both the blend model and mixing rule were found to be superior compared to standard linear by volume fraction or mole fraction mixing rules commonly used to estimate the DCN of mixtures.

42 ENGINEERING↗

Active multi-mode data analysis to improve fault diagnosis in AHUs

Faults in heating, ventilation and air conditioning systems can lead to increased energy consumption, occupant comfort issues, and reduced equipment lifetime. Commercial fault detection and diagnosis (FDD) tools has been increasingly deployed in U.S. commercial buildings. While they are helping to achieve energy efficiency and operational reliability, there remain gaps in their fault diagnostic capabilities. The diagnostic results often contain multiple distinct candidate root causes (CRCs) or offer no insight into CRCs. This study developed a novel active rule-based multi-mode data analysis method to enhance diagnostic resolution by applying proven rule sets and additional new rules to data from multiple known operational modes. The proposed method was demonstrated using enhanced air handling unit performance assessment rule sets and validated with the simulated data of two air handling units. New metrics, namely, reduced number of CRCs and improvement ratio, were developed to quantify the improvement of fault diagnostic resolution. The validation results showed that the proposed method effectively reduced the number of CRCs in contrast to analyzing data solely for a single mode of operation. It achieved a median improvement ratio of 80% in 19 test cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Revisit the VEC criterion in high entropy alloys (HEAs) with high-throughput ab initio calculations: A case study with Al-Co-Cr-Fe-Ni system

Valence electron concentration (VEC) was treated as a useful parameter to predict the stability of solid solution phases. However, the available experimental data to support this criterion is far from enough. In the current study, the high-throughput ab initio modeling is applied to investigate the relative stability of FCC and BCC single crystals of the Al-Co-Cr-Fe-Ni high entropy alloys (HEAs) by using the special quasi-random structure (SQS) approach. Furthermore, the predictions start with pure elements of the Al-Co-Cr-Fe-Ni system and are continued with binaries, ternaries, and quaternary compositions, which come up with 180 compositions (360 structures). After that, the reliability of the VEC criterion is testified. The results show that the VEC criterion not only works for the stable structure but also works effectively for metastable structure when both FCC and BCC are not thermodynamic stable. However, it is found that the old VEC criterion proposed by Guo et al. fails to work effectively for compositions containing high concentrations of light-weight metals such as Al at VEC<5. To solve this problem, the present work proposes a new VEC rule to define the stability of FCC and BCC structures at the ground state. With the implementation of the new VEC rule, the effectiveness of the VEC rule (EVEC) of both FCC and BCC structures is enhanced, especially for pure elements and binary compositions, indicating that this rule does not only work effectively for multicomponent systems but also works for low-order systems.

36 MATERIALS SCIENCE↗

Evaluating design safety margins in the American Society of Mechanical Engineers graphite core components design-by-analysis assessments

Graphite is an important material being used for core components in next-generation high-temperature gas-cooled nuclear reactors. The selection of graphite grade for a specific Designer is a complex task, dependent on reactor conditions, component functionality, and required reliability. The American Society of Mechanical Engineers (ASME) provides two semi-probabilistic design-by-analysis assessments to evaluate graphite core components against design reliability targets. The simplified assessment uses a 2-parameter Weibull distribution to describe the graphite grade’s tensile-strength distribution to establish component stress limits. The full assessment uses the 3-parameter Weibull distribution and a modified Weakest-Link Theory approach to calculate a component design probability of failure. The paper defines recommended assessment rules, which are the as-written simplified assessment and the full assessment with parameter lower bounds, the modulus update with threshold reduction, and the 2027 grouping rules. Code rules are applied to three grades: 2114, IG-110, and NBG-18. The baseline margin calculation is developed using the experimental tensile dogbone specimen. Percent margin is defined as the percent reduction in the median experimental load to obtain the allowable load per ASME assessments. Under the recommended rules, the SRC–1 margin in the simplified assessment ranged from 40.2 % to 52.7 % among the grades in this study and from 36.1 % to 49.8 % in the full assessment. The full assessment only decreases the margins by 2.5–4.5 % for the SRC-1 components and 0–1.5 % for the SRC-2 components for this baseline case. Margin is inversely related to material median strength (i.e., the strongest grade, 2114, has the lowest margin).

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

One-Pot Self-Assembly of Sequence-Controlled Mesoporous Heterostructures via Structure-Directing Agents

Multimaterial heterostructures have led to characteristics surpassing the individual components. Nature controls the architecture and placement of multiple materials through biomineralization of nanoparticles (NPs); however, synthetic heterostructure formation remains limited and generally departs from the elegance of self-assembly. Here, in this study, a class of block polymer structure-directing agents (SDAs) are developed containing repeat units capable of persistent (covalent) NP interactions that enable the direct fabrication of nanoscale porous heterostructures, where a single material is localized at the pore surface as a continuous layer. This SDA binding motif (design rule 1) enables sequence-controlled heterostructures, where the composition profile and interfaces correspond to the synthetic addition order. This approach is generalized with 5 material sequences using an SDA with only persistent SDA-NP interactions (“P-NP 1 –NP 2 ”; NP i = TiO 2 , Nb 2 O 5 , ZrO 2 ). Expanding these polymer SDA design guidelines, it is shown that the combination of both persistent and dynamic (noncovalent) SDA-NP interactions (“PD-NP 1 –NP 2 ”) improves the production of uniform interconnected porosity (design rule 2). The resulting competitive binding between two segments of the SDA (P- vs D-) requires additional time for the first NP type (NP 1 ) to reach and covalently attach to the SDA (design rule 3). The combination of these three design rules enables the direct self-assembly of heterostructures that localize a single material at the pore surface while preserving continuous porosity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Benchmarking core turbulence and transport predictions for an inductive compact tokamak reactor plasma

Motivated by the need for accurate, timely, and efficient calculations of plasma transport, predictions of plasma turbulence properties made using different TGLF saturation rules are benchmarked against corresponding predictions from linear and nonlinear gyrokinetic CGYRO simulations. This benchmarking is carried out using parameters taken from an inductive burning plasma scenario in a hypothetical compact high-field (R maj = 4 m, B T = 8 T) tokamak, lying in a much different regime of parameter space than either the TGLF calibration regime or current-day experiments. The core turbulent transport in this scenario is predicted to be dominated by ion temperature gradient (ITG) turbulence. In general, the ITG critical gradients predicted by various TGLF saturation rules are quite close to the CGYRO predictions. Both codes predict similar linear ITG growth rates and frequency spectra, as well as their scaling with R/L T i = −Rd ln(T i )/dr. However, TGLF systematically predicts unstable trapped-electron modes (TEMs) above k y ρ s ≃ 0.5 not seen by CGYRO for the same parameters, due to TGLF predicting a lower threshold in R/L T e than CGYRO for TEM onset. It is shown that for this scenario, nonlinear CGYRO simulations predict stiffer ITG turbulence than the TGLF SAT0 and SAT1 saturation rules, with energy fluxes close in magnitude and scaling with R/L T i to what is predicted by the SAT2 saturation rule. Self-consistent core profiles calculated using nonlinear CGYRO flux predictions and the PORTALS transport solver are shown to agree fairly well with corresponding predictions made using the TGLF SAT2 model, including a similar level of density peaking.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Two distinctive regimes in the charge transport of a magnetic topological ultra thin film

Abstract The effect of the magnetic impurities on the charge transport in a magnetic topological ultra-thin film (MTF) is analytically investigated by applying the semi-classical Boltzmann framework through a modified relaxation-time approximation. Our results for the relaxation time of electrons as well as the charge conductivity of the system exhibit two distinct regimes of transport. We show that the generated charge current in a MTF is always dissipative and anisotropic when both conduction bands are involved in the charge transport. The magnetic impurities induce a chirality selection rule for the transitions of electrons which can be altered by changing the orientation of the magnetic impurities. On the other hand, when a single conduction band participates in the charge transport, the resistivity is isotropic and can be entirely suppressed due to the corresponding chirality selection rule. Our findings propose a method to determine an onset thickness at which a crossover from a three-dimensional magnetic topological insulator to a (two-dimensional) MTF occurs.

Sabzalipour, Amir (ORCID:0000000195830880)↗

Application-level benchmarking of quantum computers using nonlocal game strategies

In a nonlocal game, two noncommunicating players cooperate to convince a referee that they possess a strategy that does not violate the rules of the game. Quantum strategies allow players to optimally win some games by performing joint measurements on a shared entangled state, but computing these strategies can be challenging. We present a variational quantum algorithm to compute quantum strategies for nonlocal games by encoding the rules of a nonlocal game into a Hamiltonian. We show how this algorithm can generate a short-depth optimal quantum strategy for a graph coloring game with a quantum advantage. This quantum strategy is then evaluated on fourteen different quantum hardware platforms to demonstrate its utility as a benchmark. Finally, we discuss potential sources of errors that can explain the observed decreased performance of the executed task and derive an expression for the number of samples required to accurately estimate the win rate in the presence of noise.

nonlocal games↗

Mixed-strategy approach to band-edge analysis and modeling in semiconductors

In semiconductor physics, the Urbach rule describes an exponential dependence of the UV-Vis absorption coefficient on photon energy at the band edge. The rule is so ubiquitously applied that a single common mechanism, variability in the local potential, is generally considered to be the cause of exponential band edges. Variability in the local potential may be caused by alloy inhomogeneity, structural defects, impurities, thermal excitation, or any other mechanism that interrupts ideal crystallinity and creates disorder. A crucial point of the Urbach rule is its development for band edges which approach linearity when plotted on a logarithmic scale. The rule was not developed in the context of nonlinear band edges with complex fine structure. Even so, this model has been applied extensively to band edges with such features. Using differential analysis and deconvolution, we develop an analytical technique capable of separating the components responsible for the fine structure observed. This approach reduces challenging signal-artifact convolution problems to a simple linear combination. Furthermore, we develop a model that can be applied to the nonlinear band-edge signals extracted. In this work, we show that in the limiting case of linearity, our model is consistent with and produces the same results as the linear Urbach model. Our model is capable of bypassing “tailing” as an indirect measure of the spread in the local potential and gives a direct measure of this quantity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Medium-/Low-Voltage Joint State Estimator Through Linear Uncertainty Propagation

Traditionally, distribution system state estimations (DSSE) are challenged by the lack of measurements at both primary and secondary sides of the system. The widely available cable television (CATV) voltage sensors installed in low-voltage (LV) networks bring opportunities to achieve higher quality DSSE covering a broader area of the distribution network. This study proposes a medium-/low-voltage (MV/LV) joint distribution system state estimation approach using the untapped CATV measurements. It aims at addressing the need for system situational awareness at the grid edge while improving the estimation accuracy at both the primary and secondary sides compared to its disjointed counterpart. Linearized measurement functions and boundary condition uncertainty propagation rules are derived to ensure the computational efficiency and accuracy of the joint state estimator. Numerical experiments are conducted on an IEEE test feeder to demonstrate the efficacy of the proposed method and the value of CATV measurements.

joint state estimation↗

A New Approach to Distributed Hypothesis Testing and Non-Bayesian Learning: Improved Learning Rate and Byzantine-Resilience

Here, we study a setting where a group of agents, each receiving partially informative private signals, seek to collaboratively learn the true underlying state of the world (from a finite set of hypotheses) that generates their joint observation profiles. To solve this problem, we propose a distributed learning rule that differs fundamentally from existing approaches, in that it does not employ any form of “belief-averaging”. Instead, agents update their beliefs based on a min-rule. Under standard assumptions on the observation model and the network structure, we establish that each agent learns the truth asymptotically almost surely. As our main contribution, we prove that with probability 1, each false hypothesis is ruled out by every agent exponentially fast, at a network-independent rate that is strictly larger than existing rates. We then develop a computationally-efficient variant of our learning rule that is provably resilient to agents who do not behave as expected (as represented by a Byzantine adversary model) and deliberately try to spread misinformation.

42 ENGINEERING↗