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Results for “Dynamic topic modeling”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Transient viscoelasticity study of tobacco mosaic virus/Ba2+ superlattice

Recently, we reported a new method to synthesize the rod-like tobacco mosaic virus (TMV) superlattice. To explore its potentials in nanolattice templating and tissue scaffolding, this work focused the viscoelasticity of the superlattice with a novel transient method via atomic force microscopy (AFM). For measuring viscoelasticity, in contrast to previous methods that assessed the oscillating response, the method proposed in this work enabled us to determine the transient response (creep or relaxation) of micro/nanobiomaterials. The mathematical model and numerical process were elaborated to extract the viscoelastic properties from the indentation data. The adhesion between the AFM tip and the sample was included in the indentation model. Through the functional equation method, the elastic solution for the indentation model was extended to the viscoelastic solution so that the time dependent force vs. displacement relation could be attained. To simplify the solving of the differential equation, a standard solid model was modified to obtain the elastic and viscoelastic components of the sample. The viscoelastic responses with different mechanical stimuli and the dynamic properties were also investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A call for an international network of genomic observatories (GOs)

We are entering a new era in genomics–that of large-scale, place-based, highly contextualized genomic research. Here we review this emerging paradigm shift and suggest that sites of utmost scientific importance be expanded into ‘Genomic Observatories’ (GOs). Investment in GOs should focus on the digital characterization of whole ecosystems, from all-taxa biotic inventories to time-series ’omics studies. The foundational layer of biodiversity–genetic variation–would thus be mainstreamed into Earth Observation systems enabling predictive modelling of biodiversity dynamics and resultant impacts on ecosystem services.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Proceedings of the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering - M and C 2013

The Mathematics and Computation Division of the American Nuclear (ANS) and the Idaho Section of the ANS hosted the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering (M and C 2013). This proceedings contains over 250 full papers with topics ranging from reactor physics; radiation transport; materials science; nuclear fuels; core performance and optimization; reactor systems and safety; fluid dynamics; medical applications; analytical and numerical methods; algorithms for advanced architectures; and validation verification, and uncertainty quantification.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

DNA Dynamics Is Likely to Be a Factor in the Genomic Nucleotide Repeats Expansions Related to Diseases

Trinucleotide repeats sequences (TRS) represent a common type of genomic DNA motif whose expansion is associated with a large number of human diseases. The driving molecular mechanisms of the TRS ongoing dynamic expansion across generations and within tissues and its influence on genomic DNA functions are not well understood. Here we report results for a novel and notable collective breathing behavior of genomic DNA of tandem TRS, leading to propensity for large local DNA transient openings at physiological temperature. Our Langevin molecular dynamics (LMD) and Markov Chain Monte Carlo (MCMC) simulations demonstrate that the patterns of openings of various TRSs depend specifically on their length. The collective propensity for DNA strand separation of repeated sequences serves as a precursor for outsized intermediate bubble states independently of the G/C-content. We report that repeats have the potential to interfere with the binding of transcription factors to their consensus sequence by altered DNA breathing dynamics in proximity of the binding sites. These observations might influence ongoing attempts to use LMD and MCMC simulations for TRS–related modeling of genomic DNA functionality in elucidating the common denominators of the dynamic TRS expansion mutation with potential therapeutic applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Technical Assessment of Internal Surface Smoothness and Particle Transmission to the American National Standard ANSI/HPS N13.1-2011

Clause 6.4.4 in the American National Standards Institute / Health Physics Society (ANSI/HPS) N13.1 standard, Sampling and Monitoring Releases of Airborne Radioactive Substances From the Stacks and Ducts of Nuclear Facilities, addresses the internal smoothness of sample transport lines present between the nozzle and the analyzer (or collector). This paper evaluates the appropriateness of this clause by comparing roughness length of various materials against the required relative roughness, and by conducting computational fluid dynamic modeling. The results indicate that the inclusion of numerical criteria for the relative roughness of pipe by the ANSI Standard N13.1 (Section 6.4.4) is not appropriate. Recommended alternatives would be elimination of the numerical criteria, or modification of the standard to include a variable criteria for relative roughness.

operational topics, aerosols, air sampling, atmosp↗
DOE OSTI2018

Single crystal toroidal diamond anvils for high pressure experiments beyond 5 megabar

Static compression experiments over 4 Mbar are rare, yet critical for developing accurate fundamental physics and chemistry models, relevant to a range of topics including modeling planetary interiors. Here we show that focused ion beam crafted toroidal single-crystal diamond anvils with ~9.0 μm culets are capable of producing pressures over 5 Mbar. The toroidal surface prevents gasket outflow and provides a means to stabilize the central culet. We have reached a maximum pressure of ~6.15 Mbar using Re as in situ pressure marker, a pressure regime typically accessed only by double-stage diamond anvils and dynamic compression platforms. In conclusion, optimizing single-crystal diamond anvil design is key for extending the pressure range over which studies can be performed in the diamond anvil cell.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Coarse-grained computer simulation of dynamics in thylakoid membranes: methods and opportunities

Coarse-grained simulation is a powerful and well-established suite of computational methods for studying structure and dynamics in nanoscale biophysical systems. As our understanding of the plant photosynthetic apparatus has become increasingly nuanced, opportunities have arisen for coarse-grained simulation to complement experiment by testing hypotheses and making predictions. Here, we give an overview of best practices in coarse-grained simulation, with a focus on techniques and results that are applicable to the plant thylakoid membrane–protein system. We also discuss current research topics for which coarse-grained simulation has the potential to play a key role in advancing the field.

Brownian dynamics↗
DOE OSTI2014

Mesoscale magnetism

Magnetic interactions give rise to a surprising amount of complexity due to the fact that both static and dynamic magnetic properties are governed by competing short-range exchange interactions and long-range dipolar coupling. Even though the underlying dynamical equations are well established, the connection of magnetization dynamics to other degrees of freedom, such as optical excitations, charge and heat flow, or mechanical motion, make magnetism a mesoscale research problem that is still wide open for exploration. Synthesizing magnetic materials and heterostructures with tailored properties will allow to take advantage of magnetic interactions spanning many length-scales, which can be probed with advanced spectroscopy and microscopy and modeled with multi-scale simulations. Finally, this paper highlights some of the current basic research topics in mesoscale magnetism, which beyond their fundamental science impact are also expected to influence applications ranging from information technologies to magnetism based energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules

Modelling of non-adiabatic dynamics in extended molecular systems and solids is a next frontier of atomistic electronic structure theory. The underlying numerical algorithms should operate only with a few quantities (that can be efficiently obtained from quantum chemistry), provide a controlled approximation (which can be systematically improved) and capture important phenomena such as branching (multiple products), detailed balance and evolution of electronic coherences. Here we propose a new algorithm based on Monte-Carlo sampling of classical trajectories, which satisfies the above requirements and provides a general framework for existing surface hopping methods for non-adiabatic dynamics simulations. In particular, our algorithm can be viewed as a post-processing technique for analysing numerical results obtained from the conventional surface hopping approaches. Presented numerical tests for several model problems demonstrate efficiency and accuracy of the new method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

The role of fast and slow dynamics in nonlinear resonant ultrasound spectroscopy of consolidated granular materials

Abstract Elastic nonlinearity observed in consolidated granular media can be attributed to the combination of slow and fast effects, which give rise to hysteresis and relaxation of both modulus and damping after the sample is perturbed. A consequence is a high level of complexity in the measurements of the sample linear and nonlinear elastic parameters. The results of experiments are dependent on the experimental protocol that is adopted to measure the relevant quantities and it is hard to quantify parameters with accuracy and repeatability. Here we focus on examining Nonlinear Resonant Ultrasound Spectroscopy, showing experimentally the role of slow dynamics in the process and quantifying/discussing its influence on the quantification of nonlinearity. We also propose a model to describe the process, which shows that different contributions to nonlinearity (e.g., classical and hysteretic) could be due to physical features (defects) relaxing with different relaxation times.

Science & Technology - Other Topics↗
DOE OSTI2013

Phase shift method to estimate solids circulation rate in circulating fluidized beds

While solids circulation rate is a critical design and control parameter in circulating fluidized bed (CFB) reactor systems, there are no available techniques to measure it directly at conditions of industrial interest. Cold flow tests have been conducted at NETL in an industrial scale CFB unit where the solids flow has been the topic of research in order to develop an independent method which could be applied to CFBs operating under the erosive and corrosive high temperatures and pressures of a coal fired boiler or gasifier. The dynamic responses of the CFB loop to modest modulated aeration flows in the return leg or standpipe were imposed to establish a periodic response in the unit without causing upset in the process performance. The resulting periodic behavior could then be analyzed with a dynamic model and the average solids circulation rate could be established. This method was applied to the CFB unit operated under a wide range of operating conditions including fast fluidization, core annular flow, dilute and dense transport, and dense suspension upflow. In addition, the system was operated in both low and high total solids inventories to explore the influence of inventory limiting cases on the estimated results. The technique was able to estimate the solids circulation rate for all transport circulating fluidized beds when operating above upper transport velocity, U{sub tr2}. For CFB operating in the fast fluidized bed regime (i.e., U{sub g}< U{sub tr2}), the phase shift technique was not successful. The riser pressure drop becomes independent of the solids circulation rate and the mass flow rate out of the riser does not show modulated behavior even when the riser pressure drop does.

42 ENGINEERING↗
DOE OSTI2011

Computational Investigations of Solid-Liquid Interfaces

In a variety of materials synthesis and processing contexts, atomistic processes at heterophase interfaces play a critical role governing defect formation, growth morphologies, and microstructure evolution. Accurate knowledge of interfacial structure, free energies, mobilities and segregation coefficients are critical for predictive modeling of microstructure evolution, yet direct experimental measurement of these fundamental interfacial properties remains elusive in many cases. In this project first-principles calculations were combined with molecular-dynamics (MD) and Monte-Carlo (MC) simulations, to investigate the atomic-scale structural and dynamical properties of heterophase interfaces, and the relationship between these properties and the calculated thermodynamic and kinetic parameters that influence the evolution of phase transformation structures at nanometer to micron length scales. The topics investigated in this project were motivated primarily by phenomena associated with solidification processing of metals and alloys, and the main focus of the work was thus on solid-liquid interfaces and high-temperature grain boundaries. Additional efforts involved first-principles calculations of coherent solid-solid heterophase interfaces, where a close collaboration with researchers at the National Center for Electron Microscopy was undertaken to understand the evolution of novel core-shell precipitate microstructures in aluminum alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Understanding Social Media’s Take on Climate Change through Large-Scale Analysis of Targeted Opinions and Emotions

Social media is a powerful data source for researchers interested in understanding population-level behavior, having been successfully leveraged in a number of different application areas including flu and illness prediction models, detecting civil unrest, and measuring public sentiment towards a given topic of interest within the public discourse. In this work, we present a study of a large collection of Twitter data centered on the social conversation around global cli- mate change during the UN Climate Change Conference, held in Paris, France during December 2015 (COP21). We first developed a mechanism for distinguishing between personal and non-personal accounts. We then analyzed demographics and emotion and opinion dynamics over time and location in order to understand how the different user types converse around meaningful topics on social media. This methodology offers an in-depth insight into the behavior and opinions around a topic where multiple distinct narratives are present, and lays the groundwork for future work in studying narratives in social media.

social media research↗
DOE OSTI2022

Gaussian processes meet NeuralODEs: a Bayesian framework for learning the dynamics of partially observed systems from scarce and noisy data

We present a machine learning framework (GP-NODE) for Bayesian model discovery from partial, noisy and irregular observations of nonlinear dynamical systems. The proposed method takes advantage of differentiable programming to propagate gradient information through ordinary differential equation solvers and perform Bayesian inference with respect to unknown model parameters using Hamiltonian Monte Carlo sampling and Gaussian Process priors over the observed system states. This allows us to exploit temporal correlations in the observed data, and efficiently infer posterior distributions over plausible models with quantified uncertainty. The use of the Finnish Horseshoe as a sparsity-promoting prior for free model parameters also enables the discovery of parsimonious representations for the latent dynamics. A series of numerical studies is presented to demonstrate the effectiveness of the proposed GP-NODE method including predator–prey systems, systems biology and a 50-dimensional human motion dynamical system. This article is part of the theme issue ‘Data-driven prediction in dynamical systems’.

Science & Technology - Other Topics↗
DOE OSTI2012

2012 MOLECULAR AND IONIC CLUSTERS GORDON RESEARCH CONFERENCE, JANUARY 29 - FEBRUARY 3, 2012

The Gordon Research Conference on 'Molecular and Ionic Clusters' focuses on clusters, which are the initial molecular species found in gases when condensation begins to occur. Condensation can take place solely from molecules interacting with each other, mostly at low temperatures, or when molecules condense around charged particles (electrons, protons, metal cations, molecular ions), producing ion molecule clusters. These clusters provide models for solvation, allow a pristine look at geometric as well as electronic structures of molecular complexes or matter in general, their interaction with radiation, their reactivity, their thermodynamic properties and, in particular, the related dynamics. This conference focuses on new ways to make clusters composed of different kinds of molecules, new experimental techniques to investigate the properties of the clusters and new theoretical methods with which to calculate the structures, dynamical motions and energetics of the clusters. Some of the main experimental methods employed include molecular beams, mass spectrometry, laser spectroscopy (from infrared to XUV; in the frequency as well as the time domain) and photoelectron spectroscopy. Techniques include laser absorption spectroscopy, laser induced fluorescence, resonance enhanced photoionization, mass-selected photodissociation, photofragment imaging, ZEKE photoelectron spectroscopy, etc. From the theoretical side, this conference highlights work on potential surfaces and measurable properties of the clusters. The close ties between experiment, theory and computation have been a hallmark of the Gordon Research Conference on Molecular and Ionic Clusters. In the 2012 meeting, we plan to have sessions that will focus on topics including: (1) The use of cluster studies to probe fundamental phenomena; (2) Finite size effects on structure and thermodynamics; (3) Intermolecular forces and cooperative effects; (4) Molecular clusters as models for solvation; and (5) Studies of clusters at XUV light sources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Regulation of T cell expansion by antigen presentation dynamics

An essential feature of the adaptive immune system is the proliferation of antigen-specific lymphocytes during an immune reaction to form a large pool of effector cells. This proliferation must be regulated to ensure an effective response to infection while avoiding immunopathology. Recent experiments in mice have demonstrated that the expansion of a specific clone of T cells in response to cognate antigen obeys a striking inverse power law with respect to the initial number of T cells. Here, we show that such a relationship arises naturally from a model in which T cell expansion is limited by decaying levels of presented antigen. The same model also accounts for the observed dependence of T cell expansion on affinity for antigen and on the kinetics of antigen administration. Extending the model to address expansion of multiple T cell clones competing for antigen, we find that higher-affinity clones can suppress the proliferation of lower-affinity clones, thereby promoting the specificity of the response. Using the model to derive optimal vaccination protocols, we find that exponentially increasing antigen doses can achieve a nearly optimized response. We thus conclude that the dynamics of presented antigen is a key regulator of both the size and specificity of the adaptive immune response.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Radiation from mixed multi-planar wire arrays

The study of radiation from different wire materials in wire array Z-pinch plasma is a very challenging topic because it is almost impossible to separate different plasmas at the stagnation. A new approach is suggested based on planar wire array (PWA) loads to assess this problem. Multi-planar wire arrays are implemented that consist of few planes, each with the same number of wires and masses but from different wire materials, arranged in parallel rows. In particular, the experimental results obtained with triple PWAs (TPWAs) on the UNR Zebra generator are analyzed with Wire Ablation Dynamics Model, non-local thermodynamic equilibrium kinetic model, and 2D radiation magneto-hydrodynamic to illustrate this new approach. In TPWAs, two wire planes were from mid-atomic-number wire material and another plane was from alloyed Al, placed either in the middle or at the edge of the TPWA. Spatial and temporal properties of K-shell Al and L-shell Cu radiations were analyzed and compared from these two configurations of TPWAs. Advantages of the new approach are demonstrated and future work is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

The modeling of delayed-onset Rayleigh-Taylor and transition to mixing in laser-driven HED experiments

In this paper, we discuss simulations, along with a benchmarking experiment, performed using the xRAGE code which demonstrate the ability of a laser model to predict laser-driven, high-energy-density shock hydrodynamics with good fidelity. This directly contributes to our ability to model hydrodynamic-instability dynamics produced by a laser drive typical of those available at OMEGA, OMEGA-EP, NIF, and similar facilities. In particular, we show how the laser model is essential for predicting deceleration-phase Rayleigh-Taylor arising from laser turn-off. We do this using the experimental case of a seeded single-mode perturbation. Then, we turn to a seeded multimode perturbation to show how the above result permits us to access the modeling of hydrodynamic mixing, a topic of interest for future work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗