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DOE OSTI2024

Controlled patterning of crystalline domains by frontal polymerization

Materials with hierarchical architectures that combine soft and hard material domains with coalesced interfaces possess superior properties compared with their homogeneous counterparts. These architectures in synthetic materials have been achieved through deterministic manufacturing strategies such as 3D printing, which require an a priori design and active intervention throughout the process to achieve architectures spanning multiple length scales. Here we harness frontal polymerization spin mode dynamics to autonomously fabricate patterned crystalline domains in poly(cyclooctadiene) with multiscale organization. This rapid, dissipative processing method leads to the formation of amorphous and semi-crystalline domains emerging from the internal interfaces generated between the solid polymer and the propagating cure front. The size, spacing and arrangement of the domains are controlled by the interplay between the reaction kinetics, thermochemistry and boundary conditions. Small perturbations in the fabrication conditions reproducibly lead to remarkable changes in the patterned microstructure and the resulting strength, elastic modulus and toughness of the polymer. Furthermore, this ability to control mechanical properties and performance solely through the initial conditions and the mode of front propagation represents a marked advancement in the design and manufacturing of advanced multiscale materials. Drawing inspiration from biological systems in which structural complexity develops through dissipative reaction–diffusion processes, this study explores a transformative synthetic manufacturing strategy aimed at harnessing the principles underpinning morphogenic growth, unlocking new avenues for advanced materials design and fabrication. Synthetic coupled reaction-transport processes offer a versatile yet relatively underexplored method to manipulate the spatial attributes of synthetic materials10. Here we introduce an innovative manufacturing approach based on frontal ring-opening metathesis polymerization (FROMP) that draws parallels with morphogenic growth and development, enabling the formation of patterned microstructures within polymeric materials.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Binary pseudo-random array (BPRA) for inspection and calibration for cylindrical wavefront interferometry

High-accuracy metrology is vitally important in manufacturing ultra-high-quality free-form mirrors designed to manipulate X-ray light with nanometer-scale wavelengths. However, surface topography measurements are instrument dependent, and without the knowledge of how the instrument performs under the practical usage conditions, the measured data contain some degree of uncertainty. Binary Pseudo Random Array (BPRA) “white noise” artifact are effective and useful for characterizing the Instrument Transfer Function (ITF) of surface topography metrology tools and wavefront measurement instrument. BPRA artifact contains features with all spatial frequencies in the instrument bandpass with equal weight. As a result, power spectral density of the patterns has a deterministic white-noise-like character that allows direct determination of the ITF with uniform sensitivity over the entire spatial frequency range. The application examples include electron microscopes, x-ray microscopes, interferometric microscopes, and large field-of-view Fizeau Interferometers. Furthermore, we will introduce the application of BPRA method to characterizing the ITF of Cylindrical Wavefront Interferometry (CWI), by developing the BPRA artifact which matches the radius of curvature of the cylindrical wavefront. The data acquisition and analysis procedures for different applications of the ITF calibration technique developed are also discussed.

Munechika, K↗

NASA NTRS1988

Observer design for compensation of network-induced delays in integrated communication and control systems

A method for compensating the effects of network-induced delays in integrated communication and control systems (ICCS) is proposed, and a finite-dimensional time-invariant ICCS model is developed. The problem of analyzing systems with time-varying and stochastic delays is circumvented by the application of a deterministic observer. For the case of controller-to-actuator delays, the observed design must rely on an extended model which represents the delays as additional states.

Luck, R.↗

NASA NTRS1997

Spectral Density of Laser Beam Scintillation in Wind Turbulence: Theory - Part 1

The temporal spectral density of the log-amplitude scintillation of a laser beam wave due to a spatially dependent vector-valued crosswind (deterministic as well as random) is evaluated. The path weighting functions for normalized spectral moments are derived, and offer a potential new technique for estimating the wind velocity profile. The Tatarskii-Klyatskin stochastic propagation equation for the Markov turbulence model is used with the solution approximated by the Rytov method. The Taylor 'frozen-in' hypothesis is assumed for the dependence of the refractive index on the wind velocity, and the Kolmogorov spectral density is used for the refractive index field.

Balakrishnan, A. V.↗

DOE OSTI2023

A new method for predicting hurricane rapid intensification based on co-occurring environmental parameters

Abstract Tropical cyclones (TCs) that undergo Rapid Intensification (RI) can pose serious socioeconomic threats and can potentially result in major damaging impacts along coastal areas. Considering the complexity of various physical mechanisms that play a role in RI and its relatively low probability of occurrence, predicting RI remains a major operational challenge. In this study, we propose a simple deterministic binary classification model based on the co-occurrence of environmental parameters (MCE) to predict an RI event. More specifically, the model determines the possibility of RI based on a simple count of the number of environmental predictors deemed favorable and unfavorable. We compare our model results to logistic regression (LR) and decision tree (DT) models, well-trained using the same set of environmental predictors. Results reveal that at an RI threshold of 30 kt, the MCE exhibits a critical success index score of 0.233 which is 14% higher than DT and LR model performances. When tested at multiple RI thresholds, the MCE displays relatively higher skill scores across multiple metrics. By simultaneously evaluating the favorability of predictors, the MCE is able to comparatively reduce the number of false alarms predicted when certain predictors are unfavorable toward RI. Interpreting these model results to gain a physical understanding of how co-occurring environmental parameters can affect RI, we highlight future directions for using models based on the MCE approach to understand and predict TC RI as well as other meteorological extremes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2006

Towards Robust Designs Via Multiple-Objective Optimization Methods

Fabricating and operating complex systems involves dealing with uncertainty in the relevant variables. In the case of aircraft, flow conditions are subject to change during operation. Efficiency and engine noise may be different from the expected values because of manufacturing tolerances and normal wear and tear. Engine components may have a shorter life than expected because of manufacturing tolerances. In spite of the important effect of operating- and manufacturing-uncertainty on the performance and expected life of the component or system, traditional aerodynamic shape optimization has focused on obtaining the best design given a set of deterministic flow conditions. Clearly it is important to both maintain near-optimal performance levels at off-design operating conditions, and, ensure that performance does not degrade appreciably when the component shape differs from the optimal shape due to manufacturing tolerances and normal wear and tear. These requirements naturally lead to the idea of robust optimal design wherein the concept of robustness to various perturbations is built into the design optimization procedure. The basic ideas involved in robust optimal design will be included in this lecture. The imposition of the additional requirement of robustness results in a multiple-objective optimization problem requiring appropriate solution procedures. Typically the costs associated with multiple-objective optimization are substantial. Therefore efficient multiple-objective optimization procedures are crucial to the rapid deployment of the principles of robust design in industry. Hence the companion set of lecture notes (Single- and Multiple-Objective Optimization with Differential Evolution and Neural Networks ) deals with methodology for solving multiple-objective Optimization problems efficiently, reliably and with little user intervention. Applications of the methodologies presented in the companion lecture to robust design will be included here. The evolutionary method (DE) is first used to solve a relatively difficult problem in extended surface heat transfer wherein optimal fin geometries are obtained for different safe operating base temperatures. The objective of maximizing the safe operating base temperature range is in direct conflict with the objective of maximizing fin heat transfer. This problem is a good example of achieving robustness in the context of changing operating conditions. The evolutionary method is then used to design a turbine airfoil; the two objectives being reduced sensitivity of the pressure distribution to small changes in the airfoil shape and the maximization of the trailing edge wedge angle with the consequent increase in airfoil thickness and strength. This is a relevant example of achieving robustness to manufacturing tolerances and wear and tear in the presence of other objectives.

Man Mohan, Rai↗

DOE OSTI2023

Deep reinforcement learning assisted co-optimization of Volt-VAR grid service in distribution networks

With the increasing penetration of distributed energy resources in distribution networks, Volt-VAR control and optimization (VVC/VVO) have become very important to ensure an acceptable quality of service to all customers. System operators can rely on slow-responding utility devices, including capacitor banks and on-load tap changing transformers, along with fast-responding battery and photovoltaic (PV) inverters for the VVC/VVO implementation. Because of variations in response time of these two classes of devices, and different control actions (discrete versus continuous), coordinated and optimal scheduling and operation have become of utmost importance. Here, this paper develops a look-ahead deep reinforcement learning (DRL)-based multi-objective VVO technique to improve the voltage profile of active distribution networks, decrease network and inverter power loss, and save the operational cost of the grid. It proposes a deep deterministic policy gradient (DDPG)-based approach to schedule the optimal reactive and/or active power set-points of fast-responding inverters, and a deep Q-network (DQN)-based DRL agent to schedule the discrete decisions variables of slow-responding assets. The reactive power output of PV and battery smart inverters are scheduled at 30-minute intervals and the capacitors’ commitment status is scheduled with several hour intervals. The proposed framework is validated on the modified IEEE 34-bus and 123-bus test cases with embedded PV and PV-plus-storage. To validate the efficacy of the proposed VVO, it is compared with several scenarios, including the base case without VVO, localized droop control of DERs, DDPG-only, and twin delayed DDPG (TD3) agent-based DRL techniques. The results justify the superior performance of the proposed method to improve the voltage profile, reduce network power loss, and minimize the look-ahead grid operational cost while minimizing the undesirable power losses in inverters as a result of power factor adjustments.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Risk-Informed Safety Analysis for Accident Tolerant Fuels

Accident Tolerant Fuels (ATF) are being tested by different nuclear vendors and research organizations and their introduction in the US light water reactors fleet is planned for the second half of the 2020`s. In the framework of the US-DOE Light-Water Reactor Sustainability program, Risk-Informed Systems Analysis pathway, researches are being conducted at the Idaho National Laboratory for developing tools and methods that can help the industry quantifying the benefits from the adoption of ATF technology. In this paper we describe the developed risk-informed methodology including the safety analysis codes improvements, and we present some results for selected accident scenarios. The developed methodology combines INL state-of-the-art deterministic Best Estimate code RELAP5-3D, and Probabilistic Risk Analysis tools RAVEN and SAPHIRE. The analyses are performed on a three-loops pressurized water reactor, simulating Station Blackout and LB-LOCA accidents and considering near-term ATFs, or FeCrAl and Chromium-coated clads. Finally, we show how, applying our methodology, the new Core Damage Frequency can be assessed. The results indicated that the main benefits in introducing near-term ATFs concern a significant reduction in the hydrogen production during accident conditions. No significant Core Damage Frequency reduction was found.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Efficient Estimation of Pauli Observables by Derandomization

In this work, we consider the problem of jointly estimating expectation values of many Pauli observables, a crucial subroutine in variational quantum algorithms. Starting with randomized measurements, we propose an efficient derandomization procedure that iteratively replaces random single-qubit measurements by fixed Pauli measurements; the resulting deterministic measurement procedure is guaranteed to perform at least as well as the randomized one. In particular, for estimating any L low-weight Pauli observables, a deterministic measurement on only of order log(L) copies of a quantum state suffices. In some cases, for example, when some of the Pauli observables have high weight, the derandomized procedure is substantially better than the randomized one. Specifically, numerical experiments highlight the advantages of our derandomized protocol over various previous methods for estimating the ground-state energies of small molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

Fault-tolerant clock synchronization validation methodology

A validation method for the synchronization subsystem of a fault-tolerant computer system is presented. The high reliability requirement of flight-crucial systems precludes the use of most traditional validation methods. The method presented utilizes formal design proof to uncover design and coding errors and experimentation to validate the assumptions of the design proof. The experimental method is described and illustrated by validating the clock synchronization system of the Software Implemented Fault Tolerance computer. The design proof of the algorithm includes a theorem that defines the maximum skew between any two nonfaulty clocks in the system in terms of specific system parameters. Most of these parameters are deterministic. One crucial parameter is the upper bound on the clock read error, which is stochastic. The probability that this upper bound is exceeded is calculated from data obtained by the measurement of system parameters. This probability is then included in a detailed reliability analysis of the system.

Computer systems↗

NASA NTRS1989

Probabilistic structural analysis of space propulsion system turbine blades

Probabilistic loads and stress analysis methods are presently applied to the second-stage blade of the SSME's high-pressure fuel turbopump, in order to illustrate how loads and stress responses can be quantified probabilistically and how the sensitivity of such component- and engine-level independent variables as engine inlet temperatures and local seal wear within the turbopump can be determined. Attention is given to a method for the derivation of probabilistic pressure, temperature, and centrifugal steady-state load descriptions of this second-stage blade from the top of the airfoil to its intersection with the firtree. Dependent-load random variables are obtained from a multilevel physical model in which duty cycle-dependent deterministic loads and related probabilistic variations are accounted for.

Newell, J. F.↗

NASA NTRS2020

Modeling Uncertainty in Large Natural Resource Allocation Problems

The productivity of the world's natural resources is critically dependent on a variety of highly uncertain factors, which obscure individual investors and governments that seek to make long-term, sometimes irreversible investments in their exploration and utilization. These dynamic considerations are poorly represented in disaggregated resource models, as incorporating uncertainty into large-dimensional problems presents a challenging computational task. This study introduces a novel numerical method to solve large-scale dynamic stochastic natural resource allocation problems that cannot be addressed by conventional methods. The method is illustrated with an application focusing on the allocation of global land resource use under stochastic crop yields due to adverse climate impacts and limits on further technological progress. For the same model parameters, the range of land conversion is considerably smaller for the dynamic stochastic model as compared to deterministic scenario analysis. The scenario analysis can thus significantly overstate the magnitude of expected land conversion under uncertain crop yields.

Cai, Yongyang↗

DOE OSTI2021

Development of a compressive failure model for carbon fiber composites and associated uncertainties.

An approach to increase the value of carbon fiber for wind turbines blades, and other compressive strength driven designs, is to identify pathways to increase its cost-specific compressive strength. A finite element model has been developed to evaluate the predictiveness of current finite element methods and to lay groundwork for future studies that focus on improving the cost-specific compressive strength. Parametric studies are conducted to understand which uncertainties in the model inputs have the greatest impact on compressive strength predictions. Furthermore, a statistical approach is also presented that enables the micromechanical model, which is deterministic, to efficiently account for statistical variability in the fiber misalignment present in composite materials; especially if the results from the hexagonal and square pack models are averaged. The model was found to agree well with experimental results for a Zoltek PX-35 pultrusion. The sensitivity studies suggest that the fiber packing and the interface shear strength have the greatest impact on compressive strength prediction for the fiber reinforced polymer studied here. Based on the performance of the modeling approach presented in this work, it is deemed sufficient for future work which will seek to identify carbon fiber composites with improved cost-specific compressive strength.

36 MATERIALS SCIENCE↗

DOE OSTI2018

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the use of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Implications of Safety and Operational Features of Small, Advanced Reactors for the Evaluation of Important Human Actions

The design and operational characteristics of non-light water reactors are likely to change the role of human actions in safety function management and the types of human actions that are deemed important. The objectives of this report are to: • Identify the implications of small, advanced reactor design characteristics on human performance and the changing role of human actions in the management of safety functions. • Identify the methods that may be used to identify important human actions. • Identify how HFE safety reviewers can help ensure that the methods adequately model human actions to identify those that are important to safety. We identified the implications of small, advanced reactor characteristics on the role of personnel in safety function management. Then we addressed how designers can identify which human actions are important to safety using both probabilistic risk assessment (PRA) and deterministic analyses. PRA identifies important human actions using risk-importance criteria. Deterministically identified important human actions include those identified by analyses of situations such as transients and accidents and defense in depth. In all cases, the acceptability of the analyses is dependent on the modeling, quantification, and criterion selection to determine which human actions are important. How well the designers address these processes determines the acceptability of their methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

A Practical Approach to Uncertainty Quantification Using Probability Boxes

To date, while the use of CFD for aerospace vehicle design and development is prevalent, the documentation of uncertainties associated with the simulations are rare. Instead, the current state-of-the-art relies heavily on the experience of the CFD practitioner to estimate the uncertainty associated with their simulations through simple sensitivity studies or subject matter expertise. This practice will have to be replaced with a formal uncertainty quantification (UQ) process if CFD is to play an expanded role in the research and engineering design community, test and evaluation community, and ultimately certification for flight. Accounting for uncertainties in a formal manner is a tedious process. Moreover, the typical CFD practitioner is not likely to be familiar with formal UQ methods. These factors have prevented the adoption of UQ methods in the engineering design and development cycle. This presentation will outline a credible approach to UQ using Probability Boxes that is straightforward to apply, and can readily be automated using existing UQ tool sets such as the DAKOTA packaged developed at Sandia. The added expense incurred when moving away from a deterministic CFD process to a stochastic one that captures uncertainties to enable risk-informed decision making will be discussed, as well as effective ways to reduce the computational costs.

Uncertainty Quantification↗

NASA NTRS2004

MESTRN: A Deterministic Meson-Muon Transport Code for Space Radiation

A safe and efficient exploration of space requires an understanding of space radiations, so that human life and sensitive equipment can be protected. On the way to these sensitive sites, the radiation fields are modified in both quality and quantity. Many of these modifications are thought to be due to the production of pions and muons in the interactions between the radiation and intervening matter. A method used to predict the effects of the presence of these particles on the transport of radiation through materials is developed. This method was then used to develop software, which was used to calculate the fluxes of pions and muons after the transport of a cosmic ray spectrum through aluminum and water. Software descriptions are given in the appendices.

Blattnig, Steve R.↗

DOE OSTI2020

Cyclic dynamics of misfires and partial burns in a dilute spark-ignition engine

Here, this study investigates the cyclic dynamics of cumulative heat release data past the edge of stability in a dilute spark-ignition engine. Emphasis is placed on analyzing the cyclic dynamics near the dilute limit where partial burns and misfires are frequent. These events are often followed by a higher-energy cycle due to the feed-forward mechanism present in the residual gases. These patterns are deterministic and increase the coefficient of variation to undesirable levels. Symbol sequence analysis was used to investigate the cyclic dynamics of these low–high patterns. The heat release was partitioned on an energy basis to give physical meaning to each partition and each sequence created when analyzing the symbol sequence results. This partitioning method provided insight into the differences in the dynamics when operating in the misfire or partial burn regime. These differences could impact the control method used.

42 ENGINEERING↗