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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Molecular-dynamics Simulation-based Cohesive Zone Representation of Intergranular Fracture Processes in Aluminum

A traction-displacement relationship that may be embedded into a cohesive zone model for microscale problems of intergranular fracture is extracted from atomistic molecular-dynamics simulations. A molecular-dynamics model for crack propagation under steady-state conditions is developed to analyze intergranular fracture along a flat 99 [1 1 0] symmetric tilt grain boundary in aluminum. Under hydrostatic tensile load, the simulation reveals asymmetric crack propagation in the two opposite directions along the grain boundary. In one direction, the crack propagates in a brittle manner by cleavage with very little or no dislocation emission, and in the other direction, the propagation is ductile through the mechanism of deformation twinning. This behavior is consistent with the Rice criterion for cleavage vs. dislocation blunting transition at the crack tip. The preference for twinning to dislocation slip is in agreement with the predictions of the Tadmor and Hai criterion. A comparison with finite element calculations shows that while the stress field around the brittle crack tip follows the expected elastic solution for the given boundary conditions of the model, the stress field around the twinning crack tip has a strong plastic contribution. Through the definition of a Cohesive-Zone-Volume-Element an atomistic analog to a continuum cohesive zone model element - the results from the molecular-dynamics simulation are recast to obtain an average continuum traction-displacement relationship to represent cohesive zone interaction along a characteristic length of the grain boundary interface for the cases of ductile and brittle decohesion. Keywords: Crack-tip plasticity; Cohesive zone model; Grain boundary decohesion; Intergranular fracture; Molecular-dynamics simulation

Yamakov, Vesselin I.↗
NASA NTRS1999

Dynamic Altitude Simulation System Performance Modeling

The "Dynamic Altitude Simulation Prediction Program," DASSPP, is a program to predict the transient response of an engine, test cell, ejector system under engine shutdown conditions. These transients are important to know so that corrective modifications can be adapted to prevent any damage to the engine or test cell. The "Dynamic Altitude System Simulation Prediction Program," DASSPP, is a major rewrite of the existing program "RL-1000" written in BASIC. The RL-1000 program was written to analyze the transients of the RL-10 system only. The new program is written to run in Excell 97 and utilizes the Visual BASIC language in Excell. The program has many added features not included in the original "Rl-1000" program. The program utilizes the ejector models developed during the summer of 1997. The new program is very user friendly and utilizes a dialog box for data input.

LaFrance, Leo J.↗
NASA NTRS1982

A real-time dynamic spacecraft simulator for the LANDSAT-D mission

A real time dynamic simulator for LANDSAT D was developed and has played an integral role in the development and validation of both the ground control system and of the on-board flight software. The simulator utilized an electronic replica of the spacecraft on-board computer and data handling hardware interfaced to a VAX 11/780 computer and simulation software. Key features of the simulator design are a modular software architecture tailored to the VAX/VMS real time capabilities, a microprocessor controlled interface between the VAX and the flight hardware replica, complete simulation of the spacecraft and NASA network communication links, and a flexible and powerful scenario structuring and operator control capability. The design goals and trade-offs, software, and hardware design are summarized. The application of the simulator to the validation of both the ground systems and on-board software is reviewed in detail.

Coffin, A. R.↗
NASA NTRS1989

Parallel processing of real-time dynamic systems simulation on OSCAR (Optimally SCheduled Advanced multiprocessoR)

Parallel processing of real-time dynamic systems simulation on a multiprocessor system named OSCAR is presented. In the simulation of dynamic systems, generally, the same calculation are repeated every time step. However, we cannot apply to Do-all or the Do-across techniques for parallel processing of the simulation since there exist data dependencies from the end of an iteration to the beginning of the next iteration and furthermore data-input and data-output are required every sampling time period. Therefore, parallelism inside the calculation required for a single time step, or a large basic block which consists of arithmetic assignment statements, must be used. In the proposed method, near fine grain tasks, each of which consists of one or more floating point operations, are generated to extract the parallelism from the calculation and assigned to processors by using optimal static scheduling at compile time in order to reduce large run time overhead caused by the use of near fine grain tasks. The practicality of the scheme is demonstrated on OSCAR (Optimally SCheduled Advanced multiprocessoR) which has been developed to extract advantageous features of static scheduling algorithms to the maximum extent.

Kasahara, Hironori↗
NASA NTRS1982

Application of control theory to dynamic systems simulation

The application of control theory is applied to dynamic systems simulation. Theory and methodology applicable to controlled ecological life support systems are considered. Spatial effects on system stability, design of control systems with uncertain parameters, and an interactive computing language (PARASOL-II) designed for dynamic system simulation, report quality graphics, data acquisition, and simple real time control are discussed.

Auslander, D. M.↗
NASA NTRS2002

System engineering challenges of real-time simulation for Mars SmartLander entry, descent, and landing

The Jet Propulsion Laboratory (JPL) is developing a high-fidelity, real-time spacecraft simulator for Entry, Descent and Landing (EDL) on planetary and small bodies. This simulator, DSENDS (Dynamics Simulator for Entry, Descent and Surface landing), is an EDL-specific extension of the JPL Darts/Dshell multi-mission spacecraft dynamics and devices simulation toolkit which is in use by missions such as Cassini, Galileo, SIM, and Starlight.

Dshell EDL simulator↗
NASA NTRS1978

A digital computer program for the dynamic interaction simulation of controls and structure (DISCOS), volume 1

A theoretical development and associated digital computer program system for the dynamic simulation and stability analysis of passive and actively controlled spacecraft are presented. The dynamic system (spacecraft) is modeled as an assembly of rigid and/or flexible bodies not necessarily in a topological tree configuration. The computer program system is used to investigate total system dynamic characteristics, including interaction effects between rigid and/or flexible bodies, control systems, and a wide range of environmental loadings. In addition, the program system is used for designing attitude control systems and for evaluating total dynamic system performance, including time domain response and frequency domain stability analyses.

Bodley, C. S.↗
DOE OSTI2024

Efficient simulation of open quantum systems coupled to a reservoir through multiple channels

It is challenging to simulate open quantum systems that are connected to a reservoir through multiple channels. For example, vibrations may induce fluctuations in both energy gaps and electronic couplings, which represent two independent channels of system–bath couplings. Systems of this kind are ubiquitous in the processes of excited state radiationless decay. Combined with density matrix renormalization group (DMRG) and matrix product states (MPS) methods, we develop an interaction-picture chain mapping strategy for vibrational reservoirs to simulate the dynamics of these open systems, resulting in time-dependent spatially local system–bath couplings in the chain-mapped Hamiltonian. This transformation causes the entanglement generated by the system–bath interactions to be restricted within a narrow frequency window of vibrational modes, enabling efficient DMRG/MPS dynamical simulations. We demonstrate the utility of this approach by simulating singlet fission dynamics using a generalized spin-boson Hamiltonian with both diagonal and off-diagonal system–bath couplings. This approach generalizes an earlier interaction-picture chain mapping scheme, allowing for efficient and exact simulation of systems with multi-channel system–bath couplings using matrix product states, which may further our understanding of nonlocal exciton–phonon couplings in exciton transport and the non-Condon effect in energy and electron transfer.

Chemistry↗
NASA NTRS1993

Global dynamic modeling of a transmission system

The work performed on global dynamic simulation and noise correlation of gear transmission systems at the University of Akron is outlined. The objective is to develop a comprehensive procedure to simulate the dynamics of the gear transmission system coupled with the effects of gear box vibrations. The developed numerical model is benchmarked with results from experimental tests at NASA Lewis Research Center. The modal synthesis approach is used to develop the global transient vibration analysis procedure used in the model. Modal dynamic characteristics of the rotor-gear-bearing system are calculated by the matrix transfer method while those of the gear box are evaluated by the finite element method (NASTRAN). A three-dimensional, axial-lateral coupled bearing model is used to couple the rotor vibrations with the gear box motion. The vibrations between the individual rotor systems are coupled through the nonlinear gear mesh interactions. The global equations of motion are solved in modal coordinates and the transient vibration of the system is evaluated by a variable time-stepping integration scheme. The relationship between housing vibration and resulting noise of the gear transmission system is generated by linear transfer functions using experimental data. A nonlinear relationship of the noise components to the fundamental mesh frequency is developed using the hypercoherence function. The numerically simulated vibrations and predicted noise of the gear transmission system are compared with the experimental results from the gear noise test rig at NASA Lewis Research Center. Results of the comparison indicate that the global dynamic model developed can accurately simulate the dynamics of a gear transmission system.

Choy, F. K.↗
NASA NTRS2021

Mars 2020 Navigation Performance

On February 18, 2021, the Perseverance rover and Ingenuity helicopter demonstration landed at Jezero Crater. The Entry, Descent, and Landing (EDL) architecture, largely the same used to land Curiosity at Gale Crater on August 6, 2012, required high-fidelity flight dynamics simulation with two independent tools to verify performance. The process for creating the EDL simulation using the Dynamics Simulator for Entry, Descent and Surface landing (DSENDS) tool will be discussed, along with its use for for independent verification of the EDL statistical analysis results and reference trajectory simulation. Analysis and usage details both in development and cruise, along with post-landing assessment of the prediction performance of the simulation, will also be discussed.

Wagner, Sean↗
NASA NTRS1975

The 3-axis Dynamic Motion Simulator (DMS) system

A three-axis dynamic motion simulator (DMS) consisting of a test table with three degrees of freedom and an electronics control system was designed, constructed, delivered, and tested. Documentation, as required in the Data Requirements List (DRL), was also provided.

Source record↗
DOE OSTI2025

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics

Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a specific photophysical or photochemical problem, selecting the most suitable theoretical approach from the wide array of available techniques is not a trivial task. The challenge is further complicated by the lack of systematic method comparisons and rigorous testing on realistic molecular systems. This absence of comprehensive molecular benchmarks remains a major obstacle to advances within the field of nonadiabatic molecular dynamics. A CECAM workshop, Standardizing Nonadiabatic Dynamics: Towards Common Benchmarks, was held in May 2024 to address this issue. This Perspective highlights the key challenges identified during the workshop in defining molecular benchmarks for nonadiabatic dynamics. Specifically, this work outlines some preliminary observations on essential components needed for simulations and proposes a roadmap aiming to establish, as an ultimate goal, a community-driven, standardized molecular benchmark set.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of Sulfonation Level on the Percolated Morphology and Proton Conductivity of Hydrated Fluorine-Free Copolymers: Experiments and Simulations

Using all-atom molecular dynamics simulations and a variety of experimental methods, we previously reported on a linear polyethylene with pendant phenyl sulfonated groups precisely on every fifth carbon along the backbone. With increasing relative humidity this fluorine-free polymer self-assembled to form nanoscale water channels and exhibited exceptional proton conductivity. Expanding upon those findings, here we explore partially sulfonated random copolymers, referred to as p 5PhSH-Y. Using either acetyl sulfate or sulfuric acid, a wide range of sulfonation levels were prepared ( Y = 34−98%) corresponding to ion-exchange capacities (IEC) of 2.0−4.4 mmol/g. Combining experimental techniques and all-atom molecular dynamics simulations, we study the effect of Y on water uptake, nanoscale morphology, and the proton/water transport properties of p5PhSH- Y . The proton conductivity of p 5PhSH- Y increases with relative humidity and with Y and achieves values in excess of 0.1 S/cm. These high conductivities are attributed to high IEC and welldeveloped nanoscale percolated hydrophilic domains made possible by the flexible backbone. We quantitatively describe the nature of the water channels using the characteristic distance, channel width distribution, the area per sulfonate group at the hydrophilic/ hydrophobic interface, and the fractal dimension. Notably, the channel widths and the areas per sulfonate group are nominally independent of the level of sulfonation, while depending significantly on the level of hydration. The fractal dimension of the water channels correlates strongly with the water diffusion coefficients calculated from the molecular dynamics (MD) simulations. These findings demonstrate that the p 5PhSH- Y hydrocarbon copolymers can be modified to tune properties, particularly proton conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Two- and Three-Dimensional Galaxy Simulations

Dynamics of galaxies with up to 100,000 stars are simulated in set of computer programs available from COSMIC. In these models, large number of simulation stars move in combined gravitational field produced by stars themselves (self-consistent field) or by external matter (fixed field).

Hohl, F.↗
NASA NTRS1990

A dynamic satellite simulation testbed based on CLIPS and CLIPS-derived tools

We were motivated to define and build a sophisticated satellite simulation capability for the evaluation at a satellite operations automated environment called IntelliSTAR. This architecture, and associated prototype, addresses the entire spacecraft operations cycle including planning, scheduling, task execution, and analysis. It is aimed at increasing the autonomous capability of current and future spacecraft. It utilizes advanced software techniques to address incomplete and conflicting data for making decisions. It also encompasses critical response time requirements, complex relationships among multiple systems, and dynamically changing objectives. Given the extreme scope of activities that are targeted, a sophisticated, flexible, and dynamic simulation environment was required to drive this prototype. In particular the derived requirements for evaluating the IntelliSTAR prototype include realistic and dynamic environment, easily reconfigurable, and multiple levels of fidelity.

Gathmann, Thomas P.↗