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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Large deviations of ionic currents in dilute electrolytes

Here, we evaluate the exponentially rare fluctuations of the ionic current for a dilute electrolyte by means of macroscopic fluctuation theory. We consider the fluctuating hydrodynamics of a fluid electrolyte described by a stochastic Poisson–Nernst–Planck equation. We derive the Euler–Lagrange equations that dictate the optimal concentration profiles of ions conditioned on exhibiting a given current, whose form determines the likelihood of that current in the long-time limit. For a symmetric electrolyte under small applied voltages, number density fluctuations are small, and ionic current fluctuations are Gaussian with a variance determined by the Nernst–Einstein conductivity. Under large applied potentials, the ionic current distribution is generically non-Gaussian. Its structure is constrained thermodynamically by Gallavotti–Cohen symmetry and the thermodynamic uncertainty principle.

Farhadi, Jafar [University of California, Berkeley↗
DOE OSTI2018

On Large Deviations for Sums of i.i.d. Bernoulli Random Variables

Tail probabilities are studied for the binomial distribution. The Hoeffding inequality is sharpened in this particular case through estimating an integral factor in the Esscher transform, which is omitted in Hoeffding’s proof. This approach was already used by Talagrand (1995) in the general case. However, our results are much more precise. In particular, all involved constants are given in the explicit form.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Large Deviations for Level Sets of a Branching Brownian Motion and Gaussian Free Fields

We study deviation probabilities for the number of high positioned particles in branching Brownian motion and confirm a conjecture of Derrida and Shi. We also solve the corresponding problem for the two-dimensional discrete Gaussian free field. Our method relies on an elementary inequality for inhomogeneous Galton–Watson processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Phase separation and large deviations of lattice active matter

Off-lattice active Brownian particles form clusters and undergo phase separation even in the absence of attractions or velocity-alignment mechanisms. Arguments that explain this phenomenon appeal only to the ability of particles to move persistently in a direction that fluctuates, but existing lattice models of hard particles that account for this behavior do not exhibit phase separation. Here we present a lattice model of active matter that exhibits motility-induced phase separation in the absence of velocity alignment. Using direct and rare-event sampling of dynamical trajectories, we show that clustering and phase separation are accompanied by pronounced fluctuations of static and dynamic order parameters. In conclusion, this model provides a complement to off-lattice models for the study of motility-induced phase separation.

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

Large Angle Deviation in Grid-Following IBRs Upon Grid Voltage Dip

In the 2021 Texas Odessa large-scale solar PV tripping events, phase-locked-loop (PLL) loss of synchronism is identified as a major cause of solar PV tripping. When solar PVs detected a large phase angle deviation (e.g., 10 degrees), tripping commands were initiated. Here, the large phase angle deviation was triggered by a transmission line fault 200 miles away, which in turn led to approximately 30% voltage drop in the 345-kV system. This paper offers a plausible reason why grid-following inverter-based resources (IBRs) may experience a large angle deviation upon grid voltage dip. Critical operating conditions contributing to such phenomena are identified via analysis and their effects are demonstrated using electromagnetic transient (EMT) simulation. Furthermore, the effect of converter control, e.g., grid-following control vs. grid-forming control, is examined. It is found from EMT simulation results that frequency and voltage control are helpful in mitigating angle deviation. Furthermore, linear block diagrams are derived to examine why frequency control can effectively suppress large angle deviation.

14 SOLAR ENERGY↗
DOE OSTI2021

A Kinetic Monte Carlo Approach for Simulating Cascading Transmission Line Failure

In this work, cascading transmission line failures are studied through a dynamical model of the power system operating under fixed conditions. The power grid is modeled as a stochastic dynamical system where first-principles electromechanical dynamics are excited by small Gaussian disturbances in demand and generation around a specified operating point. In this context, a single line failure is interpreted in a large deviation context as a first escape event across a surface in phase space defined by line security constraints. The resulting system of stochastic differential equations admits a transverse decomposition of the drift, which leads to considerable simplification in evaluating the quasipotential (rate function) and, consequently, computation of exit rates. Tractable expressions for the rate of transmission line failure in a restricted network are derived from large deviation theory arguments and validated against numerical simulations. Extensions to realistic settings are considered, and individual line failure models are aggregated into a Markov model of cascading failure inspired by chemical kinetics. Cascades are generated by traversing a graph composed of weighted edges representing transitions to degraded network topologies. Numerical results indicate that the Markov model can produce cascades with qualitative power-law properties similar to those observed in empirical cascades.

Kinetic Monte Carlo, rare events, Cascading Failur↗
NASA NTRS1992

deltaT/T limits from the UCSB South Pole degree-scale experiment and constraints on the large-scale deviations from the Hubble flow

The limits to the cosmic microwave background radiation (CBR) temperature anisotropy derived from the results of the University of California at Santa Barbara South Pole degree-scale experiment are translated into upper bounds on large-scale deviations from the Hubble flow. The lack of measurable CBR anisotropy in this experiment implies very low upper bounds upon the rms amplitude V(R) of the streaming motion within a Gaussian window of radius R: Vmax(R is greater than 4000 km/s) less than 200 km/s, and Vmax(R is greater than 7500 km/s) is less than 100 km/s. Thus, the smoothness of the CBR at about 1-2 deg and the apparent large-amplitude (about 500 km/s) deviations from pure Hubble flow at R greater than about 4000 km/s cannot be simultaneously explained in the framework of usual large-scale structure formation models based on the assumptions involved in this calculation.

Gorski, Krzysztof M.↗
DOE OSTI2018

Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics

We describe a framework to reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based Monte Carlo calculations, through a transformation of the system's propagator using an approximate guiding function. This procedure importance samples the trajectories that most contribute to the large deviation function, mitigating the exponential complexity of such calculations. Here, we illustrate the method by studying driven diffusion and interacting lattice models in one and two spatial dimensions. Finally, our work offers an avenue to calculate large deviation functions for high dimensional systems driven far from equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Rare behavior of growth processes via umbrella sampling of trajectories

We compute probability distributions of trajectory observables for reversible and irreversible growth processes. These results reveal a correspondence between reversible and irreversible processes, at particular points in parameter space, in terms of their typical and atypical trajectories. Thus key features of growth processes can be insensitive to the precise form of the rate constants used to generate them, recalling the insensitivity to microscopic details of certain equilibrium behavior. We obtained these results using a sampling method, inspired by the "s-ensemble" large-deviation formalism, that amounts to umbrella sampling in trajectory space. The method is a simple variant of existing approaches, and applies to ensembles of trajectories controlled by the total number of events. It can be used to determine large-deviation rate functions for trajectory observables in or out of equilibrium.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-T-285: Evaluation of a Patient DVH-Based IMRT QA System

Purpose: To evaluate the clinical performance of a patient DVH-based QA system for prostate VMAT QA. Methods: Mobius3D(M3D) is a QA software with an independent beam model and dose engine. The MobiusFX(MFX) add-on predicts patient dose using treatment machine log files. We commissioned the Mobius beam model in two steps. First, the stock beam model was customized using machine commissioning data, then verified against the TPS with 12 simple phantom plans and 7 clinical 3D plans. Secondly, the Dosimetric Leaf Gap(DLG) in the Mobius model was fine-tuned for VMAT treatment based on ion chamber measurements for 6 clinical VMAT plans. Upon successful commissioning, we retrospectively performed IMRT QA for 12 VMAT plans with the Mobius system as well as the ArcCHECK-3DVH system. Selected patient DVH values (PTV D95, D50; Bladder D2cc, Dmean; Rectum D2cc) were compared between TPS, M3D, MFX, and 3DVH. Results: During the first commissioning step, TPS and M3D calculated target Dmean for 3D plans agree within 0.7%±0.7%, with 3D gamma passing rates of 98%±2%. In the second commissioning step, the Mobius DLG was adjusted by 1.2mm from the stock value, reducing the average difference between MFX calculation and ion chamber measurement from 3.2% to 0.1%. In retrospective prostate VMAT QA, 5 of 60 MFX calculated DVH values have a deviation greater than 5% compared to TPS. One large deviation at high dose level was identified as a potential QA failure. This echoes the 3DVH QA result, which identified 2 instances of large DVH deviation on the same structure. For all DVH’s evaluated, M3D and MFX show high level of agreement (0.1%±0.2%), indicating that the observed deviation is likely from beam modelling differences rather than delivery errors. Conclusion: Mobius system provides a viable solution for DVH based VMAT QA, with the capability of separating TPS and delivery errors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations

We introduce a variational algorithm to estimate the likelihood of a rare event within a nonequilibrium molecular dynamics simulation through the evaluation of an optimal control force. Optimization of a control force within a chosen basis is made possible by explicit forms for the gradients of a cost function in terms of the susceptibility of driven trajectories to changes in variational parameters. We consider probabilities of time-integrated dynamical observables as characterized by their large deviation functions and find that in many cases, the variational estimate is quantitatively accurate. Additionally, we provide expressions to exactly correct the variational estimate that can be evaluated directly. We benchmark this algorithm against the numerically exact solution of a model of a driven particle in a periodic potential, where the control force can be represented with a complete basis. Additionally, we then demonstrate the utility of the algorithm in a model of repulsive particles on a line, which undergo a dynamical phase transition, resulting in singular changes to the form of the optimal control force. In both systems, we find fast convergence and are able to evaluate large deviation functions with significant increases in statistical efficiency over alternative Monte Carlo approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

An Investigation on Seasonal and Diurnal Cycles of TOA Shortwave Radiations from DSCOVR/EPIC, CERES, MERRA-2, and ERA5

Reflected shortwave (SW) solar radiations at the top of atmosphere from Clouds and the Earth’s Radiant Energy System (CERES), Modern Era-Retrospective analysis for Research and Applications version 2 (MERRA-2), and ECMWF Reanalysis 5th Generation (ERA5) are examined to better under-stand their differences in spatial and temporal variations (seasonal and diurnal cycle time-scale) with respect to the observations from the Earth Polychromatic Imaging Camera (EPIC) on Deep Space Climate Observatory (DSCOVR) satellite. Comparisons between two reanalyses (MERRA-2 and ERA5) and EPIC reveal that MERRA-2 has a generally larger deviation from EPIC than ERA5, in terms of the SW radiance and diurnal variability in all seasons, which can be attributed to larger cloud biases in MERRA-2. MERRA-2 produces more ice/liquid water content than ERA5 over the tropical warm pool, leading to positive SW biases in cloud and radiance, while both reanalyses underestimate the observed SW radiance from EPIC in the stratus-topped region off the western coast of US/Mexico in the boreal summer. Himalaya/Tibet region in the boreal spring/summer and the midlatitude Southern Hemisphere in the boreal winter are the regions where MERRA-2 and ERA5 deviate largely from EPIC but their deviations have the opposite sign. Vertical structures of cloud ice/liquid water content explain reasonably well these contrasting differences between the two reanalyses. As two independent observa-ions, CERES and EPIC agree well with each other in terms of the SW radiance maps, showing 2-3% mean absolute errors over the tropical-midlatitudes. The CERES-EPIC consistency further confirms that the reanalyses still have challenges in representing the SW flux and its global distribution. In the CERES-EPIC observation differences, CERES slightly overestimates the diurnal cycle (as a function of local solar time) of the observed EPIC irradiance in the morning and underestimates in the after-noon, while the opposite is the case in the reanalyses.

Reflected shortwave radiance↗
NASA NTRS1979

Stellar atmosphere in statistical equilibrium

A static atmosphere with only Lyman continuum radiation in radiative equilibrium is studied for the effects of radiative and collisional ionization on deviations from local thermodynamic equilibrium (LTE). Large increases and decreases of the kinetic temperature (range in T of about factor 2) and, correspondingly, very large over- and underpopulation of the bound state (range in b of about factor 1,000,000) are found, depending on the frequency dependence of the photoionization cross section. Despite these large deviations from LTE, which strongly modify the emergent spectrum, there is almost no effect on the particle densities, the degree of ionization, and the basic structure of the atmosphere.

Kalkofen, W.↗