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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

PRIME: A bottom-up approach to probabilistic rule development

PRIME is a system to be used by an intelligent machine to allow it to operate in an abstract but uncertain (or stochastic) environment. It maintains a model of the effects of the machine's actions in the form of a rule base, which is induced from experience. This bottom-up approach to rule development allows the model to adapt to changes in the environment. Each rule consists of a condition under which the rule is active, an action, the effect of the action on the environment, and an estimate of the probability of this effect occurring. The effect probabilities are used to model the uncertainty in the environment, permitting multiple possible effects for a single action under a particular set of conditions. The objective of the intelligent machine is to satisfy user-specified goals with maximum probability of success. PRIME fulfills this requirement in two ways: it continuously updates the rule base with the most recent information, to ensure the validity of the model; and it generates plans which have the maximum probability of achieving the goals, based on the probability estimates in the rule base. PRIME is composed of three main processes: exploration, generalization, and planning. In exploration, the machine executes various randomly chosen actions, observes the effects on the environment, and updates the rule base accordingly. This process is used to develop the rule base in simulation, as well as to supplement the current knowledge during normal operation. Generalization is the procedure used to induce general rules from experience, which is encoded in the form of specific rules. These general rules extend the machine's knowledge to situations which have not been encountered yet, thereby increasing the capability of the machine to plan effectively. Planning is the process of constructing an optimal sequence of actions to satisfy a goal, using the rule base to predict the effects of these actions and to determine the probability of success of the plan. The rule representation and many other data structures were specifically chosen to maximize the efficiency of these processes. A simulated environment was designed to test the performance of PRIME. The results of experimentation were largely negative. The main problem was that the domain coverage of the rules was inadequate for the number of rules stored in the rule base, due to redundancies in general rules and numerous rules covering ineffective actions. It was determined that a more efficient generalization, and some form of goal-directed exploration, are necessary in order to solve most of the current deficiencies in PRIME.

Miller, Scott A.↗
NASA NTRS1982

Reliability calculation using randomization for Markovian fault-tolerant computing systems

The randomization technique for computing transient probabilities of Markov processes is presented. The technique is applied to a Markov process model of a simplified fault tolerant computer system for illustrative purposes. It is applicable to much larger and more complex models. Transient state probabilities are computed, from which reliabilities are derived. An accelerated version of the randomization algorithm is developed which exploits ''stiffness' of the models to gain increased efficiency. A great advantage of the randomization approach is that it easily allows probabilities and reliabilities to be computed to any predetermined accuracy.

Miller, D. R.↗
DOE OSTI2018

Optimal Linear Responses for Markov Chains and Stochastically Perturbed Dynamical Systems

The linear response of a dynamical system refers to changes to properties of the system when small external perturbations are applied. We consider the little-studied question of selecting an optimal perturbation so as to (i) maximise the linear response of the equilibrium distribution of the system, (ii) maximise the linear response of the expectation of a specified observable, and (iii) maximise the linear response of the rate of convergence of the system to the equilibrium distribution. We also consider the inhomogeneous, sequential, or time-dependent situation where the governing dynamics is not stationary and one wishes to select a sequence of small perturbations so as to maximise the overall linear response at some terminal time. We develop the theory for finite-state Markov chains, provide explicit solutions for some illustrative examples, and numerically apply our theory to stochastically perturbed dynamical systems, where the Markov chain is replaced by a matrix representation of an approximate annealed transfer operator for the random dynamical system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1999

Dynamical Signatures of Living Systems

One of the main challenges in modeling living systems is to distinguish a random walk of physical origin (for instance, Brownian motions) from those of biological origin and that will constitute the starting point of the proposed approach. As conjectured, the biological random walk must be nonlinear. Indeed, any stochastic Markov process can be described by linear Fokker-Planck equation (or its discretized version), only that type of process has been observed in the inanimate world. However, all such processes always converge to a stable (ergodic or periodic) state, i.e., to the states of a lower complexity and high entropy. At the same time, the evolution of living systems directed toward a higher level of complexity if complexity is associated with a number of structural variations. The simplest way to mimic such a tendency is to incorporate a nonlinearity into the random walk; then the probability evolution will attain the features of diffusion equation: the formation and dissipation of shock waves initiated by small shallow wave disturbances. As a result, the evolution never "dies:" it produces new different configurations which are accompanied by an increase or decrease of entropy (the decrease takes place during formation of shock waves, the increase-during their dissipation). In other words, the evolution can be directed "against the second law of thermodynamics" by forming patterns outside of equilibrium in the probability space. Due to that, a specie is not locked up in a certain pattern of behavior: it still can perform a variety of motions, and only the statistics of these motions is constrained by this pattern. It should be emphasized that such a "twist" is based upon the concept of reflection, i.e., the existence of the self-image (adopted from psychology). The model consists of a generator of stochastic processes which represents the motor dynamics in the form of nonlinear random walks, and a simulator of the nonlinear version of the diffusion equation which represents the mental dynamics. It has been demonstrated that coupled mental-motor dynamics can simulate emerging self-organization, prey-predator games, collaboration and competition, "collective brain," etc.

Zak, M.↗
DOE OSTI2023

ORNL_AISD_NiPt

This dataset describes the nickel-platinum (NiPt) solid solution binary alloy, where the two constituent elements nickel (Ni) and platinum (Pt) are randomly placed on the face centered cubic (FCC) crystal structure, with the lattice constant of 3.840 angstroms. The dataset comprises data for three different sizes of the crystal structure: 256 atoms, 864 atoms, and 2,048 atoms, each of which contains 1900 configurations. For each size of the crystal structure, the data set was generated for concentrations ranging from 0at% of Pt to 100at% of Pt in the NiPt binary system, with increasing the concentration of Pt in the system every 5at%. For each one of the chemical compositions, 100 random configurations were generated, each with a different random seed. Each of the output files contains the mass, type, atomic coordinates, energy per atom, and forces in x, y, and z directions respectively. For each atomic configuration, the output was collected every 150 steps during the minimization stage and every 1000 steps during the replica exchange stage. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [1], which is a molecular dynamics code, was used to generate data for NiPt alloy. The simulation used the interatomic potential for NiPt binary system MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [3] from the OpenKIM library (Open Knowledgebase of Interatomic Models) [2]. This potential was developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM). The simulation process begins with the generation of the random NiPt structure and follows with the short minimization and replica exchange simulation. The minimization procedure adjusts atomic coordinates and performs energy minimization, which typically leads to a local potential energy minimum. The method used for the minimization was the conjugate gradient algorithm. A short replica exchange (parallel tempering) simulation involves four replicas (ensembles) of a system and follows the minimization stage. Multiple snapshots of the configuration were collected during the minimization and replica exchange stages. NiPt alloy is interesting due to its magnetic and charge transfer properties [4]. The data is provided in three compressed zipped folders: atoms256.zip, atoms864.zip, atoms2048.zip Each zipped folder contains the data that describes crystals of size 256 atoms, 864 atoms, and 2,048 atoms respectively. Each one of the three zipped folders contains the data structured in the following way: -Ni_ground_state.cfg --> atomic configuration for the pure nickel -Pt_ground_state.cfg --> atomic configuration for the pure platinum -Pt#_filtered --> folders containing atomic configurations for #at% concentration of platinum. The folder contains 100 atomic configurations, each saved in a subfolder. Each subfolder named config* is associated with a specific atomic configuration. Each of these subfolders contains files with .cfg format, corresponding to outputs for each atomic configuration The total number of atomic configurations contained in atoms256.zip is 65,046. The total number of atomic configurations contained in atoms864.zip is 63,936. The total number of atomic configurations contained in atoms2048.zip is 61,997. The total number of atomic configurations spanned by the entire dataset is 190,979. References [1] https://www.lammps.org/ [2] https://openkim.org/ [3] https://openkim.org/id/MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [4] El-Gendy, Ahmed A. and Hampel, Silke and Büccchner, Bernd and Klingeler, Rüdiger, Tuneable magnetic properties of carbon-shielded NiPt-nanoalloys, RSC Adv., volume 6, issue 57, pages 52427-52433, 2016, The Royal Society of Chemistry, doi:10.1039/C6RA05910D

36 MATERIALS SCIENCE↗
DOE OSTI2023

ORNL_AISD_NiPt_108atoms

This dataset describes the nickel-platinum (NiPt) solid solution binary alloy, where the two constituent elements nickel (Ni) and platinum (Pt) are randomly placed on the face centered cubic (FCC) crystal structure, with the lattice constant of 3.840 angstroms. The dataset comprises data for crystal structures with 108 atoms with 1,900 configurations. The data set was generated for concentrations ranging from 0at% of Pt to 100at% of Pt in the NiPt binary system, with increasing the concentration of Pt in the system every 5at%. For each one of the chemical compositions, 100 random configurations were generated, each with a different random seed. Each of the output files contains the mass, type, atomic coordinates, energy per atom, and forces in x, y, and z directions respectively. For each atomic configuration, the output was collected every 150 steps during the minimization stage and every 1000 steps during the replica exchange stage. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [1], which is a molecular dynamics code, was used to generate data for NiPt alloy. The simulation used the interatomic potential for NiPt binary system 'MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001' [3] from the OpenKIM library (Open Knowledgebase of Interatomic Models) [2]. This potential was developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM). The simulation process begins with the generation of the random NiPt structure and follows with the short minimization and replica exchange simulation. The minimization procedure adjusts atomic coordinates and performs energy minimization, which typically leads to a local potential energy minimum. The method used for the minimization was the conjugate gradient algorithm. A short replica exchange (parallel tempering) simulation involves four replicas (ensembles) of a system and follows the minimization stage. Multiple snapshots of the configuration were collected during the minimization and replica exchange stages. NiPt alloy is interesting due to its magnetic and charge transfer properties [4]. The data is provided in a compressed zipped folders atoms108.zip. The zipped folder contains the data structured in the following way: - Ni_ground_state.cfg --> atomic configuration for the pure nickel - Pt_ground_state.cfg --> atomic configuration for the pure platinum - Pt#_filtered --> folders containing atomic configurations for #at% concentration of platinum. The folder contains 100 atomic configurations, each saved in a subfolder - Each subfolder named config* is associated with a specific atomic configuration. Each of these subfolders contains files with .cfg format, corresponding to outputs for each atomic configuration The total number of atomic configurations contained in atoms108.zip is 66,132. This dataset is an extension to the dataset ORNL_AISD_NiPt [5] that has been previously released with crystal structures of 256 atoms, 864 atoms, and 2,048 atoms, with the same methodology for data collection. References [1] https://www.lammps.org/ [2] https://openkim.org/ [3] https://openkim.org/id/MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [4] El-Gendy, Ahmed A. and Hampel, Silke and Büchner, Bernd and Klingeler, Rüdiger, Tuneable magnetic properties of carbon-shielded NiPt-nanoalloys, RSC Adv., volume 6, issue 57, pages 52427-52433, 2016, The Royal Society of Chemistry, doi:10.1039/C6RA05910D [5] M. Karabin, M. Lupo Pasini, and M. Eisenbach. ORNL_AISD_NiPt. United States: N. p., 2023. Web. doi:10.13139/OLCF/1958172.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Improving the Software Development Process Using Testability Research

Software testability is the the tendency of code to reveal existing faults during random testing. This paper proposes to take software testability predictions into account throughout the development process. These predictions can be made from formal specifications, design documents, and the code itself. The insight provided by software testability is valuable during design, coding, testing, and quality assurance. We further believe that software testability analysis can play a crucial role in quantifying the likelihood that faults are not hiding after testing does not result in any failures for the current version.

Voas, Jeffrey M.↗
DOE OSTI2019

Photo-Scanning Electrochemical Microscopy on the Nanoscale with Through-Tip Illumination

Scanning electrochemical microscopy (SECM) has previously been employed in probing photoelectrochemical processes at semiconductor surfaces. Yet, the spatial resolution of these studies has not yet matched the nanoscale SECM resolution attained without substrate illumination. Herein, we introduce nanoscale photo-SECM with a glass-sealed, polished tip simultaneously serving as a nanoelectrode and a light guide to produce a microscopic light spot on the substrate surface. The advantages of this approach are demonstrated by comparing current transients obtained using through-tip and global illumination of the sample. The spot of light on the substrate surface facing the nanotip was sufficiently bright to measure the diffusion-controlled positive feedback current in good agreement with the theory. Here, we employed this approach for high-resolution photoelectrochemical mapping of ferrocenemethanol oxidation and oxygen evolution reactions at the Nb:TiO 2 rutile (110) single crystal surface. The images obtained using 40-50 nm radius tips showed only minor and random variations in photoelectrochemical reactivity for both processes, pointing to essentially uniform distribution of the Nb dopant over the TiO 2 surface and no measurable segregation on the ~50 nm scale.

14 SOLAR ENERGY↗
DOE OSTI2017

Assessment of the Idaho National Laboratory Remote-Handled Low-Level Waste Disposal Facility Vault Concrete Data

This document provides a summary of the concrete performance data collected during vault fabrication and installation. The report includes the process by which quality data was collected during vault fabrication and installation, the inspection requirements, and a summary of resulting test data with the potential to impact vault system durability. This report also includes quantitative data collected on cured concrete samples poured for random concrete batches throughout the concrete component fabrication process. Quantitative data includes total porosity, bulk density, absorption, effective porosity, and gas-phase permeability. Chloride diffusivity data collected during the concrete mix selection process are also included for completeness. Data shows that the vault quality assurance program resulted in components received insignificant defects and damaged areas during the fabrication stage and during the vault installation stage. Data collected on the cured concrete samples show the gas-phase permeability and effective porosity are slightly higher than the data used to select the concrete mix designs.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1989

On the stability of robotic systems with random communication rates

Control problems of sampled data systems which are subject to random sample rate variations and delays are studied. Due to the rapid growth of the use of computers more and more systems are controlled digitally. Complex systems such as space telerobotic systems require the integration of a number of subsystems at different hierarchical levels. While many subsystems may run on a single processor, some subsystems require their own processor or processors. The subsystems are integrated into functioning systems through communications. Communications between processes sharing a single processor are also subject to random delays due to memory management and interrupt latency. Communications between processors involve random delays due to network access and to data collisions. Furthermore, all control processes involve delays due to casual factors in measuring devices and to signal processing. Traditionally, sampling rates are chosen to meet the worst case communication delay. Such a strategy is wasteful as the processors are then idle a great proportion of the time; sample rates are not as high as possible resulting in poor performance or in the over specification of control processors; there is the possibility of missing data no matter how low the sample rate is picked. Asymptotical stability with probability one for randomly sampled multi-dimensional linear systems is studied. A sufficient condition for the stability is obtained. This condition is so simple that it can be applied to practical systems. A design procedure is also shown.

Kobayashi, H.↗
DOE OSTI2025

Quantification and prediction of solidification textures under additive manufacturing conditions

Crystallographic textures are a major determinant of the macroscale anisotropic properties of polycrystalline metallic alloys produced in a wide range of additive manufacturing (AM) processes. Here, we introduce a statistical method that can accurately quantify the degree of orientational order of textures despite the large random fluctuations in the orientation of individual grains inherent in AM processes. The method, demonstrated for laser and resolidification of AlSi thin films, extends Z-scoring to a dynamical regime to assess the statistical significance of observed textures compared to randomly generated ones at different stages of solidification. We further show that, combined with phase-field modeling, this method can be used to infer fundamental anisotropic properties of the solid-liquid interface that are essential for texture prediction, and are compared here to the results of atomistic simulations. In addition, phase-field modeling reveals that, even at rapid AM solidification rates, the observed 〈110〉-dominated textures in the AlSi thin films are controlled predominantly by the anisotropy of the interface free-energy and sheds light on the physical mechanism of grain competition. These results significantly enhance both the existing tools for the quantification and prediction of AM crystallographic textures and our basic understanding of their formation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Electrically driven deep ultraviolet MgZnO lasers at room temperature

Semiconductor lasers in the deep ultraviolet (UV) range have numerous potential applications ranging from water purification and medical diagnosis to high-density data storage and flexible displays. Nevertheless, very little success was achieved in the realization of electrically driven deep UV semiconductor lasers to date. Here, we report the fabrication and characterization of deep UV MgZnO semiconductor lasers. These lasers are operated with continuous current mode at room temperature and the shortest wavelength reaches 284 nm. The wide bandgap MgZnO thin films with various Mg mole fractions were grown on c-sapphire substrate using radio-frequency plasma assisted molecular beam epitaxy. Metal-semiconductor-metal (MSM) random laser devices were fabricated using lithography and metallization processes. Besides the demonstration of scalable emission wavelength, very low threshold current densities of 29-33 A/cm 2 are achieved. Furthermore, numerical modeling reveals that impact ionization process is responsible for the generation of hole carriers in the MgZnO MSM devices. The interaction of electrons and holes leads to radiative excitonic recombination and subsequent coherent random lasing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Integration of historical map and aerial imagery to characterize long-term land-use change and landscape dynamics: An object-based analysis via Random Forests

Tracking Earth’s past helps us to move from hindsight to foresight in seeking landscape sustainability, a pursuit aided by modern mapping capabilities but hindered by a dearth of historical landscape information. To fill the data gap and exemplify the use of old map for land-use change sciences, we combined a paper-based US civil war map and aerial photos to derive land-use history and landscape dynamics at fine scales for a region near Chancellorsville, VA, USA, from 1867 to 2014. We also tested how advanced algorithms—object-based analysis and random forests (RF)—could aid in data processing. Automatic classification of the 1867 map proved difficult, but its manual digitization could benefit from object-based image segmentation. Classifying digital aerial images was more accurate via the object-based than pixel-based method, but only if the images were segmented appropriately. In the object-based classification, spectral-based features were much more important than shape/geometry features, as ranked by RF. During the 147 years, 32% of the region changed in land type. Settlement and roads increased in extent by 1850% and 691%, respectively, and woodland decreased by 19%. These changes fragmented the landscape, altered the hydrological regime, and affected river morphology. The utility of old maps exemplified here provides an impetus for exploring and leveraging extant old maps or historical records to support land-use and global change research. Our study also connotes the importance of geotagging current data, such as photos and videos, that may serve as a baseline to document future landscape change.

Historical map, object-based, Random Forests, old ↗
DOE OSTI2020

Explaining persistent incomplete mixing in multicomponent reactive transport with Eulerian stochastic model

We present an Eulerian stochastic advection–diffusion–reaction (SADR) model and use it to explain incomplete mixing typically observed in transport experiments with bimolecular reactions. Unlike traditional advection– dispersion–reaction (ADR) models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, mechanical mixing is driven by random advective velocity whose variance is given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a Fickian diffusion process with the effective diffusion coefficient. We demonstrate that the sum of the two coefficients is equal to the dispersion coefficient, but only the effective diffusion coefficient contributes to the mixing-controlled reactions. We use experimental results of Gramling et al. * * to show that for transport and bimolecular reactions in porous media, the SADR model is significantly more accurate than the ADR model, which overestimates the concentration of the reaction product by as much as 60%. We also show that the SADR model predicts an experimentally observed bell- shaped spatial distribution of the reactive product concentration, while the ADR model results in a concentration distribution with an unphysical kink.

Bimolecular reactions, incomplete mixing, Stochast↗
DOE OSTI2019

Accumulation-Driven Surfactant-Free Synthesis of Architectured Immiscible Metallic Nanoalloys with Enhanced Catalysis

Accumulation-mediated chemical reactions are a ubiquitous phenomenon in nature. In this work, we explore microbubble-induced accumulation of precursor ions to achieve surfactant-free synthesis of immiscible metallic nanoalloys and simultaneously pattern the nanoalloys into targeted architectures for their enhanced catalytic applications. Additionally, our unified spatiotemporal synthesis and structuring (US3) strategy, whereby millisecond-scale accumulation of the ions takes place in a highly confined laser-mediated microbubble trap (MBT), drives ultrafast alloy synthesis in sync with the structuring process. As a case in point, we employ the US3 strategy for the in situ surfactant-free synthesis and patterning of traditionally immiscible rhodium-gold (RhAu) nanoalloys. Stochastic random walk simulations justify the millisecond-scale accumulation process, leading to a 3-order reduction in synthesis time. The catalytic activity and structure-property relationship were evaluated using the reduction of p-nitrophenol with NaBH4. Our in situ synthesis and structuring strategy can be translated for high-throughput production and screening of multimetallic systems with tailored catalytic, optoelectronic, and magnetic functions.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Simulation of Stochastic Processes by Coupled ODE-PDE

A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.

Zak, Michail↗
NASA NTRS1978

Dynamics of planetesimal formation and planetary accretion

The paper reviews the dynamical processes by which condensed matter in the solar nebula accumulates into planets. The basic processes are: (1) gravitational instability; (2) conversion of the radial gradient of orbital motion into random motion between planetesimals; and (3) collisions, which damp the random motion and result in aggregation and/or fragmentation of planetesimals. Each of these processes is defined analytically, and models, based on these results, of planetary growth, axial rotation rates, and formation of satellite systems are formulated.

Harris, A. W.↗
DOE OSTI2022

Improving the performance of PM6 donor polymer by random ternary copolymerization of BDD and DTBT segments

Developing high-performance wide bandgap polymer donors to match the rapidly growing non-fullerene small molecule acceptors (NF-SMAs) is of great importance to further improve the photovoltaic performances of organic solar cells (OSCs). PM6 and D18 are two leading wide bandgap donor polymers, but their performances are highly sensitive to the molecular weights, which have distinct impact on the morphology and thereby the charge generation and recombination processes. Here, in this work, we reported the random ternary copolymerization of PM6 and D18 segments to develop random terpolymers with finely tuned photoelectronic properties and optimized blend morphology for high-performance OSCs. The resulting random terpolymers (PMD-5, PMD-10, PMD-15 and PMD-20) exhibited finely tuned absorptions, energy levels and blend morphology. The optimal morphology of PMD-15:L8-BO contributed to the fast exciton diffusion and dissociation, efficient charge extraction with suppressed recombination. Thus, the power conversion efficiency was improved from 17.22% of the control PM6 devices and 17.47% of the control D18 devices to 18.12% of PMD-15 based devices, which is the top performance of random terpolymers. Moreover, the PMD-15 exhibited much higher batch-to-batch reproducibility at a broad molecular weight range than that of PM6 and D18, showing promising for practical applications.

36 MATERIALS SCIENCE↗