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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Validation of Fault Displacements from Dynamic Rupture Simulations against the Observations from the 1992 Landers Earthquake

ABSTRACT Coseismic fault displacements in large earthquakes have caused significant damage to structures and lifelines on and near fault lines. Coseismic displacements represent a real threat, especially to distributed infrastructure systems. For infrastructure systems that can not avoid active faults, engineering displacement demands are defined using probabilistic fault-displacement hazard analyses (PFDHA). However, PFDHA models are sparse and poorly constrained partly due to the scarcity of detailed fault-displacement observations. Advancements in dynamic rupture simulation methods make them an attractive approach to address this important issue. Because fault displacements can be simulated for various geologic conditions as constrained by current knowledge about earthquake processes, they can be used to supplement the observation datasets. In addition to providing on-fault displacements, when used with appropriate constitutive models for the bulk medium, they can capture off-fault distributed inelastic deformations as well. For viable extrapolation, simulations must first be validated against data. In this article, we summarize the calibration and validation of the dynamic rupture model against the observations of the well-documented 1992 Landers earthquake. We defined a preferred model that reproduces several first-order fault-displacement metrics such as the on-fault partition of the total displacement, the mean fault-zone width, and the location of the peak displacement. Simulated ground motions consistent with the observations ensure that all physics important to modeling have been properly parameterized. For the extrapolation, we generated a suite of dynamic rupture models to quantify expected fault-displacement metrics, their intercorrelations, and magnitude dependencies, which are in part supported by the Landers and other recent earthquakes. Our validation and extrapolation exercise paves the way for using dynamic rupture modeling to quantitatively address fault-displacement hazard on a broader scale. The results are promising and are expected to be useful to inform PFDHA model development.

Geochemistry & Geophysics↗
DOE OSTI2017

Numerical simulation and dynamical response of a moored hydrokinetic turbine operating in the wake of an upstream turbine for control design

Herein numerical simulation of a downstream hydrokinetic turbine operating in the wake of an upstream turbine for feedback control design is presented. Wake effects from an upstream turbine are quantified in terms of wake velocity and amplified turbulence levels. These effects are integrated in an in-stream hydrokinetic turbine numerical simulation that utilizes a Blade Element Momentum approach with a dynamic wake inflow model. Simulations are carried out on a fixed turbine model to simulate operation in river or tidal channels with conventional foundations, as well as on a compliantly moored turbine model such as those designed to operate in open ocean currents.

13 HYDRO ENERGY↗
DOE OSTI2016

PB-AM: An open-source, fully analytical linear poisson-boltzmann solver

Here, we present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized PB equation, for molecules represented as non-overlapping spherical cavities. The PB-AM software package includes the generation of outputs files appropriate for visualization using visual molecular dynamics, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators, and students that are more familiar with the APBS framework.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

Estimates for the Aerodynamic Coefficients of Ringsail and Disk-Gap-Band Parachutes Operating on Mars

The creation of flight dynamics simulations is often part of the design, development, and flight operations of missions that include entry, descent, and landing (EDL) in their concept of operation. Such flight dynamics simulations include models for many of the EDL sub-systems. For EDL systems that include a parachute, models of the parachute’s aerodynamic characteristics must be created for inclusion in the flight dynamics simulations. Models are presented for the aerodynamic coefficients (i.e., C(D),C(Tot),C(T),C(N), and C(m,SLCP)) of Supersonic Ringsail (SSRS) and Disk-Gap-Band (DGB) parachutes as functions of total porosity, λ(T), Mach number, M, and total angle of attack, λ(T) (when necessary). The source aerodynamic coefficients data used for creating these models were obtained from a wind tunnel test of subscale parachutes. In this wind tunnel test, subscale parachutes of both parachute types were fabricated from two different fabrics with very different permeabilities. By varying the fabric permeability, while maintaining the parachute geometry constant, it was possible to vary λ(T). The fabric permeability test data necessary for the calculation of λ(T) were obtained from samples of the same fabrics used to fabricate the subscale parachutes. Although the models for the aerodynamic coefficients are simple polynomial functions of λ(T) and M, they are capable of producing good reproductions of the source data. The (λ(T), M) domains over which these models are applicable are clearly defined. The models and their domains are applicable to flight operations on Mars. The models presented in this report are not unique – other models could be created from the source data. To make the creation of alternative numerical models, the aerodynamic coefficients source data are included in this report.

Cruz, Juan R.↗
DOE OSTI2022

Developing a Reduced 240-Bus WECC Dynamic Model for Frequency Response Study of High Renewable Integration

The ongoing changes in the generation resource mix, driven by the rapid adoption of inverter-based resources (IBR) as well as the early retirement of synchronous generators, are bringing new challenges to the planning and operation of bulk electric power systems. Consequently, there is an increasing need to understand, design, and quantify the reliability service provision from IBRs by performing integrated scheduling and dynamic simulations. However, test systems that have consistent scheduling and dynamic models rarely exist largely because of the decoupled nature of the two simulations on a synchronous generator-dominated system. This paper develops the dynamic model of a reduced Western Electricity Coordinating Council (WECC) system. In conjunction with the existing scheduling model, it is suitable for integrating scheduling and dynamic simulations. The reduced 240-bus WECC model reflects the generation resource mix of the Western Interconnection as of 2018. Moreover, the developed dynamic model is validated against field frequency events measured by FNET/GridEye and preserves the dominant inter-area oscillation mode in WECC.

dynamic simulation↗
DOE OSTI2018

Validation of Deterministic Broadband Ground Motion and Variability from Dynamic Rupture Simulations of Buried Thrust Earthquakes

According to the article, we numerically model broadband ground motion (up to 5–7.5 Hz⁠) from blind‐thrust scenario earthquakes matching the fault geometry of the 1994 Mw 6.7 Northridge earthquake. Several realizations are modeled (by varying the hypocenter location in the dynamic rupture simulation) in a 1D‐layered velocity profile. In addition, we include Q(f )⁠, nonlinear effects from Drucker–Prager plasticity, and superimpose small‐scale medium complexity in both a 1D‐layered and 3D velocity model within the subsequent wave propagation. We investigate characteristics of the ground motion and its variability up to 50 km from the fault by comparing them with ground‐motion prediction equations (GMPEs), simple proxy metrics, as well as strong ground motion records from the Northridge event. We find that median ground motion closely follows the trend predicted by GMPEs and that the intraevent standard deviation, although varying with hypocenter location, lies near that of GMPE models. Plasticity affects ground‐motion amplitudes in regions near the source, reducing intraevent variability above ∼0.5 Hz⁠. Heterogeneity in the velocity structure on both the regional and small scales is needed for the simulated data to match two proxy metrics: the period‐to‐period correlation of spectral acceleration (SA) and the ratio of maximum‐to‐median SA. Although small‐scale heterogeneity has a negligible effect on median SA for this style of rupture, it serves to significantly increase the cumulative absolute velocity, better agreeing with observations. When compared with strong‐motion data, we find that long‐wavelength velocity structure within our deterministic simulations reduces bias at both short and long periods. Finally, synthetic ground motion at both footwall and hanging‐wall sites has no clear dependence on the distance to rupture (at both short and long periods); directivity is likely overpowering any hanging‐wall effect.

Geochemistry & Geophysics↗
DOE OSTI2016

Insight into the Li{sub 2}CO{sub 3}–K{sub 2}CO{sub 3} eutectic mixture from classical molecular dynamics: Thermodynamics, structure, and dynamics

We use molecular dynamics simulations to study the thermodynamics, structure, and dynamics of the Li{sub 2}CO{sub 3}–K{sub 2}CO{sub 3} (62:38 mol. %) eutectic mixture. We present a new classical non-polarizable force field for this molten salt mixture, optimized using experimental and first principles molecular dynamics simulations data as reference. This simple force field allows efficient molecular simulations of phenomena at long time scales. We use this optimized force field to describe the behavior of the eutectic mixture in the 900–1100 K temperature range, at pressures between 0 and 5 GPa. After studying the equation of state in these thermodynamic conditions, we present molecular insight into the structure and dynamics of the melt. In particular, we present an analysis of the temperature and pressure dependence of the eutectic mixture’s self-diffusion coefficients, viscosity, and ionic conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics

Imogolite is a fascinating inorganic nanotube that is found in nature or synthesized in a laboratory. The synthesis process is carried out in liquid media, and leads to the formation of almost monodisperse diameter nanotubes. Here we investigate, employing classical molecular dynamics simulations, the interaction of water and imogolite for nanotubes of several radii. We established that water penetrates the pores of N = 9 and larger nanotubes, and adopts a coaxial arrangement in it. Also, while water molecules can diffuse along the center of the nanotube, the molecules next to the inner imogolite walls have very low mobility. At the outer nanotube wall, an increase of water density is observed, this effect extends up to 1 nm, beyond which water properties are bulk-like. Both phenomena are affected by the imogolite curvature.

58 GEOSCIENCES↗
NASA NTRS1989

Man-in-the-control-loop simulation of manipulators

A method to achieve man-in-the-control-loop simulation is presented. Emerging real-time dynamics simulation suggests a potential for creating an interactive design workstation with a human operator in the control loop. The recursive formulation for multibody dynamics simulation is studied to determine requirements for man-in-the-control-loop simulation. High speed computer graphics techniques provides realistic visual cues for the simulator. Backhoe and robot arm simulations are implemented to demonstrate the capability of man-in-the-control-loop simulation.

Chang, J. L.↗
NASA NTRS2019

A new environment to simulate the dynamics in the close proximity of rubble-pile asteroids

This paper presents a new environment to simulate close-proximity dynamics around rubble-pile asteroids. The code provides methods for modeling the asteroid’s gravity field and surface through granular dynamics. It implements stateof-the-art techniques to model both gravity and contact interaction between particles: 1) mutual gravity as either direct N2 or Barnes-Hut GPU-parallel octree and 2) contact dynamics with a soft-body (force-based, smooth dynamics), hard-body (constraint-based, non-smooth dynamics), or hybrid (constraint-based with compliance and damping) approach. A very relevant feature of the code is its ability to handle complex-shaped rigid bodies and their full 6D motion. Examples of spacecraft close-proximity scenarios and their numerical simulations are shown.

Ferrari, Fabio↗
NASA NTRS1988

The effect of the solenoidal condition on the numerical magnetohydrodynamic simulation of coronal dynamics

Several MHD simulations of coronal dynamics performed more than 10 years ago violated the solenoidality condition for an 'open' magnetic field topology. Using an improved code, consideration is given to the effect on the physical validity of the numerical simulation (for a representative pulse disturbance) for the case when solenoidality is deliberately violated as compared to the case when it is preserved. It is found that the error incurred in this specific case ('open' topology) in the energy density and in the plasma density profiles is rather small and, hence, does not invalidate the earlier conclusions concerning mass and wave motion.

Wu, S. T.↗
NASA NTRS2005

Simulation of Dynamics of a Flexible Miniature Airplane

A short report discusses selected aspects of the development of the University of Florida micro-aerial vehicle (UFMAV) basically, a miniature airplane that has a flexible wing and is representative of a new class of airplanes that would operate autonomously or under remote control and be used for surveillance and/or scientific observation. The flexibility of the wing is to be optimized such that passive deformation of the wing in the presence of aerodynamic disturbances would reduce the overall response of the airplane to disturbances, thereby rendering the airplane more stable as an observation platform. The aspect of the development emphasized in the report is that of computational simulation of dynamics of the UFMAV in flight, for the purpose of generating mathematical models for use in designing control systems for the airplane. The simulations are performed by use of data from a wind-tunnel test of the airplane in combination with commercial software, in which are codified a standard set of equations of motion of an airplane, and a set of mathematical routines to compute trim conditions and extract linear state space models.

Waszak, Martin R.↗
DOE OSTI2015

At least 10% shorter C–H bonds in cryogenic protein crystal structures than in current AMBER forcefields

High resolution protein crystal structures resolved with X-ray diffraction data at cryogenic temperature are commonly used as experimental data to refine forcefields and evaluate protein folding simulations. However, it has been unclear hitherto whether the C–H bond lengths in cryogenic protein structures are significantly different from those defined in forcefields to affect protein folding simulations. This article reports the finding that the C–H bonds in high resolution cryogenic protein structures are 10–14% shorter than those defined in current AMBER forcefields, according to 3709 C–H bonds in the cryogenic protein structures with resolutions of 0.62–0.79 Å. Also, 20 all-atom, isothermal–isobaric, 0.5-μs molecular dynamics simulations showed that chignolin folded from a fully-extended backbone formation to the native β-hairpin conformation in the simulations using AMBER forcefield FF12SB at 300 K with an aggregated native state population including standard error of 10 ± 4%. However, the aggregated native state population with standard error reduced to 3 ± 2% in the same simulations except that C–H bonds were shortened by 10–14%. Furthermore, the aggregated native state populations with standard errors increased to 35 ± 3% and 26 ± 3% when using FF12MC, which is based on AMBER forcefield FF99, with and without the shortened C–H bonds, respectively. These results show that the 10–14% bond length differences can significantly affect protein folding simulations and suggest that re-parameterization of C–H bonds according to the cryogenic structures could improve the ability of a forcefield to fold proteins in molecular dynamics simulations. - Highlights: • Cryogenic crystal structures are commonly used in computational studies of proteins. • C–H bonds in the cryogenic structures are shorter than those defined in forcefields. • A survey of 3709 C–H bonds shows that the cryogenic bonds are 10–14% shorter. • The 10–14% differences affect molecular dynamics simulations of protein folding. • Shortening C–H bonds by 10–14% can improve protein folding simulations.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2010

Computational Fluid Dynamics (CFD) Simulation of Hypersonic Turbine-Based Combined-Cycle (TBCC) Inlet Mode Transition

Methods of computational fluid dynamics were applied to simulate the aerodynamics within the turbine flowpath of a turbine-based combined-cycle propulsion system during inlet mode transition at Mach 4. Inlet mode transition involved the rotation of a splitter cowl to close the turbine flowpath to allow the full operation of a parallel dual-mode ramjet/scramjet flowpath. Steady-state simulations were performed at splitter cowl positions of 0deg, -2deg, -4deg, and -5.7deg, at which the turbine flowpath was closed half way. The simulations satisfied one objective of providing a greater understanding of the flow during inlet mode transition. Comparisons of the simulation results with wind-tunnel test data addressed another objective of assessing the applicability of the simulation methods for simulating inlet mode transition. The simulations showed that inlet mode transition could occur in a stable manner and that accurate modeling of the interactions among the shock waves, boundary layers, and porous bleed regions was critical for evaluating the inlet static and total pressures, bleed flow rates, and bleed plenum pressures. The simulations compared well with some of the wind-tunnel data, but uncertainties in both the windtunnel data and simulations prevented a formal evaluation of the accuracy of the simulation methods.

Slater, John W.↗
DOE OSTI2020

Data-Driven Security Assessment of Power Grids Based on Machine Learning Approach: Preprint

Data-driven security assessment provides key indicators on power system stability using simulations on scheduling models, as opposed to dynamic simulations that are more time-consuming. This paper investigates data-driven security assessment of power grids based on machine learning. Multivariate random forest regression is used as the machine learning algorithm due to its high robustness to the input data. Three stability issues are analyzed using the proposed machine learning tool, including transient stability, frequency stability and small signal stability. The estimation values from machine learning tool are compared with those from dynamic simulations. Results show that the proposed machine learning tool can effectively predict the stability margins for the three stability metrics.

14 SOLAR ENERGY↗
DOE OSTI2018

Molecular dynamics studies of fundamental bulk properties of palladium hydrides for hydrogen storage

Solid-state hydrogen storage materials undergo complex phase transformations whose behavior are collectively determined by thermodynamic (e.g., Gibbs free energy), mechanical (e.g., lattice and elastic constants), and mass transport (e.g., diffusivity) properties. These properties depend on the reaction conditions and evolve continuously during (de)hydrogenation. Thus, they are difficult to measure in experiments. Because of this, past progress to improve solid-state hydrogen storage materials has been prolonged. Using PdH x as a representative example for interstitial metal hydride, we have recently applied molecular dynamics simulations to quantify hydrogen diffusion in the entire reaction space of temperature and composition. In this paper, we have further applied molecular dynamics simulations to obtain well-converged expressions for lattice constants, Gibbs free energies, and elastic constants of PdH x at various stages of the reaction. Finally, our studies confirm significant dependence of elastic constants on temperature and composition. Specifically, a new dynamic effect of hydrogen diffusion on elastic constants is discovered and discussed.

08 HYDROGEN↗
DOE OSTI2023

Simulation-Based Recovery Action Analysis Using the EMRALD Dynamic Risk Assessment Tool

Recovery human action is defined as the action that prevents deviant conditions from producing unwanted effects. Analyzing recovery actions has been a critical part in human reliability analysis (HRA). However, there are a couple of limitations to treating recovery actions using only the current HRA methods available. Representatively, the existing recovery analysis does not specifically consider recovery actions as they have occurred in actual nuclear power plants (NPPs). To handle the challenges in the existing recovery analyses, this study suggests a way to analyze recovery actions under a dynamic HRA method, the Procedure-based Risk Investigation MEthod-Human Reliability Analysis (PRIME-HRA) method. The PRIME-HRA method suggests a way on how to develop dynamic simulation models using dynamic risk assessment tools such as the Event Modeling Risk Assessment Using Linked Diagram (EMRALD) [1] and the Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) [2]. EMRALD and HUNTER are the dynamic probabilistic risk assessment and HRA tools developed at Idaho National Laboratory. In this paper, differences on analyzing recovery actions in the Technique for Human Error-Rate Prediction (THERP), the Cause-Based Decision Tree (CBDT) and the Korean Standard HRA (K-HRA) and challenges of these approaches are introduced. How we have developed the PRIME-HRA is also introduced in this paper. Then, the proposed approach to analyzing recovery human actions in dynamic context is partially discussed with an example.

99 GENERAL AND MISCELLANEOUS↗