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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Harnessing structural stochasticity in the computational discovery and design of microstructures

This paper presents a deep generative model-based design methodology for tailoring the structural stochasticity of microstructures. Although numerous methods have been established for designing deterministic (periodic) or stochastic microstructures, a systematic design approach that allows the unified treatment of both deterministic and stochastic microstructure design domains has yet to be created. The proposed methodology resolves this issue by learning a unified feature space that embodies diverse structural patterns with continuously varying stochasticity levels. A highly diverse microstructure database is established to incorporate various types of deterministic and stochastic microstructure patterns. A property-aware deep generative model is proposed to learn a unified feature space of the structural characteristics, as well as the relationship between structure features and properties of interest. Autoencoder (AE), Variational Autoencoder (VAE), and Adversarial Autoencoder (AAE) are compared to understand their relative merits in the property-aware learning of the unified feature space. Microstructural designs with tailorable stochasticity and properties are obtained by searching the unified feature space. Multiple design cases are presented to demonstrate the capability of designing microstructures for structural stochasticity and properties. Furthermore, the proposed method is employed to create stochastically graded structures, which manipulate the mechanical behaviors by varying the local stochasticity of the structure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electric Field Measurements at the Surface of a Piezoelectric Transformer for Plasma Jet Formation using the Plasma Research Facility at Sandia National Laboratory (Final Report)

The overall goal of this research is to understand how low-temperature non-equilibrium plasmas form directly off the surface of piezoelectric crystals. Specifically, this project aims to temporally and spatially resolve how the electric field evolves on and near the surface of a piezoelectric transformer (PT) at conditions that produce an atmospheric-pressure air plasma jet emanating from the corner of the PT. In this work, we used the Plasma Research Facility (PRF) at Sandia National Laboratory to conduct temporally- and spatially-resolved electric field induced second harmonic (E-FISH) measurements of the electric field at and near the surface of a piezoelectric transformer, providing a fundamental understanding of how piezoelectric crystals can be used for plasma generation. We carried out two Objectives: Objective 1 – The first objective was to measure the temporal and spatial evolution of the electric field along the surfaces approaching the corner of a rectangular PT just below conditions that lead to plasma jet formation. Such a measurement can be used to explain when and where the electric field peaks, leading to plasma formation; Objective 2 – The second objective was to measure the temporal and spatial evolution of the electric field along the surfaces approaching the corner of a rectangular PT just at conditions of plasma jet formation. This, in principle, gives a more accurate determination of how the electric field leads to plasma formation but is more difficult due to the relatively stochastic plasma jet behavior of a PT. This work was complemented by an award from the Sandia PRF, and we worked with Dr. Edward Barnat at the Sandia PRF to carry out these objectives.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Molecular Aspects of Transport in Thin Films of Controlled Architecture (Final Technical Report)

The scientific and technological objectives of this project are motivated by problems in energy technologies that utilize differential transport in nanoscale confined volumes to achieve molecular separations. The core scientific phenomena that control observable behavior - wetting/dewetting, hydrophobicity, stochastic fluctuations in fluid flow, electrokinetics, etc. - are fundamentally different on the nanoscale, because the underlying forces that direct molecular motion are altered upon scaling to nanometer dimensions. We proposed to address this overarching problem by pursuing two objectives. Objective 1 targeted the development of single molecule-based electrokinetic, electrochemical and spectroelectrochemical probes of transport in one-dimensional (1D) nanostructures. Objective 2 focused on the interaction between wetting phenomena and nanoconfined flows under active (electrical and/or electrochemical) control. The studies were intended to develop the design rules, structural motifs, and operating principles needed to achieve singular control over molecular transport in nano-confined volumes, thereby impacting a broad spectrum of energy-relevant separations processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Neural Scaling Laws for Jet Generation

Recently observed empirical scaling laws describe the performance of foundation-type models as three independent key quantities -- dataset size, compute, and model parameters -- are modified. Extracting these scaling laws informs the training of large complex models for which the tuning of hyperparameters in traditional ways is not feasible. This work for the first time explores if scaling laws can also be observed for the task of particle jet generation -- both relevant as a pre-training objective for foundation models and as in-situ simulation by itself. We indeed replicate the key logarithmic scaling law behavior for model-size scaling. Beyond studying the next token prediction validation loss of the generative model, we also study the sliced Wasserstein distance of five physical quantities that are not immediately available to the model during training. Our study shows that this quantity is monotonically related to the next token prediction validation loss, meaning that this loss is indeed a good proxy for the physics performance. For the scaling with dataset size and compute, we observe substantially weaker scaling behavior of both the loss and the sliced Wasserstein distance. We analyze this behavior by introducing the concept of a learnable window, and argue that autoregressive next token prediction on jet constituents exhibits comparatively rapid saturation relative to language-model studies. We discuss possible origins of this behavior, including the stochastic nature of QCD radiation and differences between generative and supervised learning tasks in collider physics.

Amram, Oz [Fermilab]↗
DOE OSTI2024

Task-oriented machine learning surrogates for tipping points of agent-based models

We present a machine learning framework bridging manifold learning, neural networks, Gaussian processes, and Equation-Free multiscale approach, for the construction of different types of effective reduced order models from detailed agent-based simulators and the systematic multiscale numerical analysis of their emergent dynamics. The specific tasks of interest here include the detection of tipping points, and the uncertainty quantification of rare events near them. Our illustrative examples are an event-driven, stochastic financial market model describing the mimetic behavior of traders, and a compartmental stochastic epidemic model on an Erdös-Rényi network. We contrast the pros and cons of the different types of surrogate models and the effort involved in learning them. Importantly, the proposed framework reveals that, around the tipping points, the emergent dynamics of both benchmark examples can be effectively described by a one-dimensional stochastic differential equation, thus revealing the intrinsic dimensionality of the normal form of the specific type of the tipping point. This allows a significant reduction in the computational cost of the tasks of interest.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Learning stochastic dynamics with statistics-informed neural network

We introduce a machine-learning framework named statistics-informed neural network (SINN) for learning stochastic dynamics from data. This new architecture was theoretically inspired by a universal approximation theorem for stochastic systems, which we introduce in this paper, and the projection-operator formalism for stochastic modeling. Here, we devise mechanisms for training the neural network model to reproduce the correct statistical behavior of a target stochastic process. Numerical simulation results demonstrate that a well-trained SINN can reliably approximate both Markovian and non-Markovian stochastic dynamics. We demonstrate the applicability of SINN to coarse-graining problems and the modeling of transition dynamics. Furthermore, we show that the obtained reduced-order model can be trained on temporally coarse-grained data and hence is well suited for rare-event simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Solid State Quantum Refrigeration Superconducting, Absorption and Measurement Based (Final Technical Report)

During this DOE grant, DE-SC0017890, in place for the past six years, all proposed research was carried out and published in peer-reviewed papers, as well as other projects that emerged during the research. In that effort the research team accomplished all proposed research, as well as many closely related research projects discovered and conceived of during the grant. These works included “Efficient Quantum Measurement Engines”, a work published in Physical Review Letters, giving a theory of quantum measurement-based engines, which uses quantum measurement as a resource. These engines are designed to efficiently convert energy from the stochastic quantum measurement process into useful work. Further publications include “Experimental Realization of a Quantum Dot Energy Harvester”, a joint theory and experimental work in collaboration with the group of Charles Smith in Cambridge, UK, as well as long time theoretical collaborators, Rafael Sánchez and Björn Sothmann. This work, featured as an Editor’s Suggestion in Physical Review Letters, realized an earlier theoretical proposal of ours, whereby two resonant tunneling quantum dots are connected to a central electronic cavity that is heated by a hot energy source. We also published “Superconducting Quantum Refrigerator: Breaking and Rejoining Cooper Pairs with Magnetic Field Cycles” a work done in collaboration with experimentalist Francesco Giazotto from ENS Pisa, Italy, which also resulted in a patent. This paper, published in Phys. Rev. Applied, advanced the concept of a cyclic fridge based on the normal/superconducting phase transition together with layered materials separated by tunnel junctions. We also completed the proposed research on a heat transistor, publishing “Thermal transistor and thermometer based on Coulomb-coupled conductors”, carried out as a collaboration between my group and theorists Splettstoesser (Lund U., Sweden), Sothmann (U. Duisburg-Essen, Germany), and Sánchez (U. Autónoma de Madrid, Spain). We carried out an analysis of a quantum coupled to a quantum point contact as a sensitive thermometer and heat transistor. We found the optimal statistical estimator for the temperature and compared it with experiments on the same type of devices. We also investigated autonomous quantum absorption refrigerators using quantum dots to cool by using a very hot thermal reservoir to drive heat between two other reservoirs. In the article “Quantifying the quantum heat contribution from a driven superconducting circuit”, we demonstrated that for a driven superconducting circuit, we showed heat flow provided by a hot source to the qubit can be switched on and off by varying external parameters, the frequency and the intensity of the driving. In the work “Stochastic thermodynamic cycles of a mesoscopic thermoelectric engine”, we reconsidered the autonomous thermoelectric heat engine in terms of underlying cycles. Rather than periodic behavior, the cycles were stochastic in nature. Nevertheless, by undertaking a graph theoretical analysis of the elementary transport processed, great quantitative and qualitative insight could be found. We also considered the quantum measurement process and showed that a quantum version of Maxwell’s demon could be related to the work extraction of a quantum system, closely related to arrow-of-time measures for quantum measurement, as described in our article “Thermodynamics of quantum measurement and Maxwell's demon's arrow of time”. This work was selected in Phys. Rev. A as an Editor’s Suggestion. A recent preprint titled “Cyclic Superconducting Quantum Refrigerators Using Guided Fluxon Propagation” accomplished an important piece of this grant: to propose a new kind of quantum refrigerator using the dynamics of fluxons in a type II superconductor. This invention envisioned a race-track type geometry where fluxons are confined. By applying a gradient of magnetic field together with electric current in a Corbino geometry, the circulating fluxons can actively cool a cold reservoir, realizing a new type of cyclic superconducting refrigerator. We also investigated the possibility of thermal control from different points of view. The application of quantum measurement to the system gives a new kind of control on the system of interest – we have pioneered this approach and shown that measurement can boost the thermal power of quantum engines as described in “Continuous measurement boosted adiabatic quantum thermal machines”. The ability to have heat flows on demand is an outstanding challenge, and we have provided new solutions to this problem in Thermal control across a chain of electronic nanocavities” for a chain of electron cavities using gating voltage control. The control methods using qubit/qubit coupling to create absorption fridges at their most fundamental level have also been developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Probabilistic Voltage Sensitivity Analysis to Quantify Impact of High PV Penetration on Unbalanced Distribution System

From an operational and planning perspective, it is important to quantify the impact of increasing penetration of photovoltaics on the distribution system. Most existing impact assessment studies are scenario-based where derived results are scenario specific and not generalizable. Moreover, stochasticity in the temporal behavior of spatially distributed PVs requires a large number of scenarios that increase with the size of the network and the level of penetration. Therefore, we propose a new computationally efficient analytical framework of voltage sensitivity analysis that allows for stochastic analysis of voltage change due to random changes in PV generation. We first derive an analytical approximation for voltage change at any node of the network due to change in power at other nodes in an unbalanced distribution network. The quality of this approximation is reinforced via bounds on the approximation error. Then, we derive the probability distribution of voltage change at a certain node due to random changes in power injections/consumptions at multiple locations of the network. The accuracy of the proposed PVSA is illustrated using a modified version of the IEEE 37 bus test system. As a result, the proposed PVSA can serve as a powerful tool for proactive monitoring/control and ease the computational burden associated with perturbation based cybersecurity mechanisms.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Optimal Control of Differentially Private EV Charging: A Scalable Learning Approach Under Uncertainty

Internet of Things (IoT)-enabled electric vehicles (IoEVs) enable intelligent charging coordination that accounts for grid congestion. However, increased data exchange raises privacy concerns, as charging patterns can reveal sensitive driver behavior to grid operators. Here, we propose a differentially private (DP) EV charging framework that enables coordinated control while protecting driver data with theoretical privacy guarantees. Nevertheless, integrating DP inevitably introduces uncertainty into the control strategy for EVs, which can lead to infeasible solutions. To tackle this challenge, we develop a feasible and scalable control algorithm based on constrained reinforcement learning (CRL) and convex hulls. While our framework is designed to handle the uncertainty introduced by DP, it is general and also applicable to other sources of uncertainty in EV charging, such as the stochastic nature of driver behavior and renewable variability. This ensures feasible and privacy-preserving coordination of EV charging at scale. Our method constructs convex hulls within the action space to guarantee feasibility under stochastic constraints and incorporates constraint reduction techniques to improve scalability. Case studies based on IEEE benchmark systems demonstrate that the proposed approach effectively balances feasibility under uncertainty, scalability, and privacy in large-scale EV charging control.

Engineering - Power transmission and distribution↗
DOE OSTI2021

A stochastic solver based on the residence time algorithm for crystal plasticity models

Abstract The deformation of crystalline materials by dislocation motion takes place in discrete amounts determined by the Burgers vector. Dislocations may move individually or in bundles, potentially giving rise to intermittent slip. This confers plastic deformation with a certain degree of variability that can be interpreted as being caused by stochastic fluctuations in dislocation behavior. However, crystal plasticity (CP) models are almost always formulated in a continuum sense, assuming that fluctuations average out over large material volumes and/or cancel out due to multi-slip contributions. Nevertheless, plastic fluctuations are known to be important in confined volumes at or below the micron scale, at high temperatures, and under low strain rate/stress deformation conditions. Here, we develop a stochastic solver for CP models based on the residence-time algorithm that naturally captures plastic fluctuations by sampling among the set of active slip systems in the crystal. The method solves the evolution equations of explicit CP formulations, which are recast as stochastic ordinary differential equations and integrated discretely in time. The stochastic CP model is numerically stable by design and naturally breaks the symmetry of plastic slip by sampling among the active plastic shear rates with the correct probability. This can lead to phenomena such as intermittent slip or plastic localization without adding external symmetry-breaking operations to the model. The method is applied to body-centered cubic tungsten single crystals under a variety of temperatures, loading orientations, and imposed strain rates.

42 ENGINEERING↗
DOE OSTI2020

Modeling occupancy-driven building loads for large and diversified building stocks through the use of parametric schedules

Building energy modeling provides a fundamental tool to assess the potential for energy efficiency to contribute to reducing world energy consumption and global emissions. Occupancy-related operations are a key source of uncertainty for building energy analysis, particularly for aggregated building stocks. At a district or city level, it is critical to estimate aggregated power load profiles for sizing power grid infrastructure, power plant capacity allocation, and energy efficiency measures. The stochastic nature of behavior-related operations complicates the creation of models that accurately capture building load profiles for entire building stocks. This research introduces a new methodology called parametric schedules to model occupancy-driven schedules for large and diverse building stocks. In contrast to computationally expensive methodologies proposed in the literature, our work does not use a recursive time-consuming step. Occupancy is estimated by the extrapolation of operation times directly from metered electric consumption data; occupancy-related schedules are stochastically assigned to each building model, guaranteeing diversity of operation times in the stock. Our procedure has been tested on a large, diversified data-set of 25,000 commercial buildings in Los Angeles, California. It proved to be able to adequately represent the stochastic schedules diversity of the stock and to refine the stock calibration process by 1%. This innovative approach represents a useful asset for utility companies, grid operators, urban planners, and balancing authorities, seeking to improve building stock modeling and better estimate the impact of energy conservation measures. – This work is part of a larger stock modeling tool called ComStock, which is under development by NREL.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Toward data assimilation of ship-induced aerosol–cloud interactions

Satellite imagery can detect temporary cloud trails or ship tracks formed from aerosols emitted from large ships traversing our oceans, a phenomenon that global climate models cannot directly reproduce. Ship tracks are observable examples of marine cloud brightening, a potential solar climate intervention that shows promise in helping combat climate change. In this paper, we demonstrate a simulation-based approach in learning the behavior of ship tracks based upon a novel stochastic emulation mechanism. Our method uses wind fields to determine the movement of aerosol–cloud tracks and uses a stochastic partial differential equation (SPDE) to model their persistence behavior. This SPDE incorporates both a drift and diffusion term which describes the movement of aerosol particles via wind and their diffusivity through the atmosphere, respectively. We first present our proposed approach with examples using simulated wind fields and ship paths. We then successfully demonstrate our tool by applying the approximate Bayesian computation method-sequential Monte Carlo for data assimilation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Preliminary study of auto-differentiation algorithm in beam dynamics with stochastic process

Modern particle accelerator optimization requires sophisticated computational methods to address the inherently stochastic nature of beam dynamics. This research develops a framework applying AD to SDEs that specifically addresses beam dynamics challenges in particle accelerators, focusing on accurately modeling and optimizing beam behavior in regimes dominated by stochastic processes. By incorporating key physical phenomena such as synchrotron radiation, wakefield effects, and quantum excitation, the framework aims to provide auto differentiation on the figure of merit of the phase space evolution and beam dynamics. The methodology will enable effective optimization method in a dynamic system with stochastic process.

Accelerator Physics↗
DOE OSTI2021

Stochastic Pricing Game for Aggregated Demand Response Considering Comfort Level

In recent years, demand response (DR) has been explored as a fundamental strategy for demand-side management due to its advantages in mediating intermittency of renewable energy generation, load shifting, etc. To engage customers in DR programs, several deterministic price-based DR strategies have been developed and implemented. However, the stochastic weather conditions and occupants' consumption behaviors often make the deterministic solution less robust to uncertainties. In this paper, with the consideration of the uncertainties, a stochastic Stackelberg game is proposed to model the price-demand negotiation between a distributed system operator and load aggregators, where the virtual battery constraints are extracted from the building thermostatically controlled loads (TCLs)‘ characteristics to guarantee comfortable TCLs' levels. Following the negotiation, a priority-based control method is used to allocate the optimal aggregated power DR profile at the building level and track the power signal. Several groups of experiments have demonstrated the effectiveness and robustness of the stochastic solutions.

Chen, Yang↗
DOE OSTI2020

Deep learning for characterizing the self-assembly of three-dimensional colloidal systems

Creating a systematic framework to characterize the structural states of colloidal self-assembly systems is crucial for unraveling the fundamental understanding of these systems’ stochastic and non-linear behavior. The most accurate characterization methods create high-dimensional neighborhood graphs that may not provide useful information about structures unless these are well-defined reference crystalline structures. Dimensionality reduction methods are thus required to translate the neighborhood graphs into a low-dimensional space that can be easily interpreted and used to characterize non-reference structures. We investigate a framework for colloidal system state characterization that employs deep learning methods to reduce the dimensionality of neighborhood graphs. The framework next uses agglomerative hierarchical clustering techniques to partition the low-dimensional space and assign physically meaningful classifications to the resulting partitions. In this work, we first demonstrate the proposed colloidal self-assembly state characterization framework on a three-dimensional in silico system of 500 multi-flavored colloids that self-assemble under isothermal conditions. We next investigate the generalizability of the characterization framework by applying the framework to several independent self-assembly trajectories, including a three-dimensional in silico system of 2052 colloidal particles that undergo evaporation-induced self-assembly.

36 MATERIALS SCIENCE↗
DOE OSTI2021

SoDa: An Irradiance-Based Synthetic Solar Data Generation Tool (SoDa) v0.1

SoDa is an irradiance-based synthetic Solar Data generation tool to generate realistic sub-minute solar photovoltaic (PV) power time series, that emulate the weather pattern for a certain geographical location. Our tool relies on the National Solar Radiation Database (NSRDB) to obtain irradiance and weather data patterns for the site. Irradiance is mapped onto a PV model estimate of a solar plant's 30-min power output, based on the configuration of the panel. We use a stochastic model with a switching behavior due to different weather regimes as provided by the cloud type label in the NSRDB, with parameters for the cloudy states trained on the high-resolution solar power measurements from a Phasor Measurement Unit (PMU).

Carreno, IgnacioLosada↗
DOE OSTI2021

A Stochastic Multi-Criteria Decision-Making Algorithm for Dynamic Load Prioritization in Grid-Interactive Efficient Buildings

Increasing deployment of advanced sensing, controls, and communication infrastructure enables buildings to provide services to the power grid, leading to the concept of grid-interactive efficient buildings. Since occupant activities and preferences primarily drive the availability and operational flexibility of building devices, there is a critical need to develop occupant-centric approaches that prioritize devices for providing grid services, while maintaining the desired end-use quality of service. In this paper, we present a decision-making framework that facilitates a building owner/operator to effectively prioritize loads for curtailment service under uncertainties, while minimizing any adverse impact on the occupants. The proposed framework uses a stochastic (Markov) model to represent the probabilistic behavior of device usage from power consumption data, and a load prioritization algorithm that dynamically ranks building loads using a stochastic multi-criteria decision-making algorithm. The proposed load prioritization framework is illustrated via numerical simulations in a residential building use-case, including plug-loads, air-conditioners, and plug-in electric vehicle chargers, in the context of load curtailment as a grid service. Suitable metrics are proposed to evaluate the closed-loop performance of the proposed prioritization algorithm under various scenarios and design choices. Scalability of the proposed algorithm is established via computational analysis, while time-series plots are used for intuitive explanation of the ranking choices.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Modeling and Analysis of DC Microgrids as Stochastic Hybrid Systems

This study proposes a method of predicting the influence of random load behavior on the dynamics of dc microgrids and distribution systems. This is accomplished by combining stochastic load models and deterministic microgrid models. Together, these elements constitute a stochastic hybrid system. The resulting model enables straightforward calculation of dynamic state moments, which are used to assess the probability of desirable operating conditions. Specific consideration is given to systems based on the dual active bridge (DAB) topology. Bounds are derived for the probability of zero voltage switching (ZVS) in DAB converters. A simple example is presented to demonstrate how these bounds may be used to improve ZVS performance as an optimization problem. In conclusion, predictions of state moment dynamics and ZVS probability assessments are verified through comparisons to Monte Carlo simulations.

42 ENGINEERING↗