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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Assessment of the Impacts of ACLS on the ISS Life Support System using Dynamic Simulations in V-HAB

The Advanced Closed Loop System (ACLS) is currently under development by Airbus Defense and Space and is slated for launch to the International Space Station (ISS) in 2017. The addition of new hardware into an already complex system such as the ISS life support system (LSS) always poses operational risks. It is therefore important to understand the impacts ACLS will have on the existing systems to ensure smooth operations for the ISS. This analysis can be done by using dynamic computer simulations and one possible tool for such a simulation is Virtual Habitat (V-HAB). Based on Matlab (Registered Trademark) V-HAB has been under development at the Institute of Astronautics of the Technical University Munich (TUM) since 2006 and in the past has been successfully used to simulate the ISS life support systems. The existing V-HAB ISS simulation model treated the interior volume of the space station as one large ideally-stirred container. This model was improved to allow the calculation of the atmospheric composition inside the individual modules of the ISS by splitting it into ten distinct volumes. The virtual volumes are connected by a simulation of the inter-module ventilation flows. This allows for a combined simulation of the LSS hardware and the atmospheric composition aboard the ISS. A dynamic model of ACLS is added to the ISS simulation and different operating modes for both ACLS and the existing ISS life support systems are studied to determine the impacts of ACLS on the rest of the system. The results suggest that the US, Russian and ACLS CO2 systems can operate at the same time without impeding each other. Furthermore, based on the results of this analysis, the US and ACLS Sabatier systems can be operated in parallel as well to achieve the highest possible CO2 recycling together with a low CO2 concentration.

Puetz, Daniel↗
NASA NTRSDate not supplied

Computational Fluid Dynamics Simulation of Methane Slosh and Drain Experiments

NASA possesses a wealth of historical cryogenic experiments that provide valuable insights into the design, troubleshooting, and understanding involved in the complex fluid and thermodynamics of managing cryogenic propellants. One approach to leveraging these historical datasets is by simulating these experiments to validate the accuracy of simulation environments and constituent models. This study focused on simulating a selection of the K site test series for both static and sloshing pressurized liquid methane draining experiments conducted at NASA in the 1970’s, utilizing computational fluid dynamics. The simulations were performed in the ANSYS FLUENT environment using the Volume of Fluid (VOF) numerical approach. A k-omega turbulence model was used with interfacial turbulence damping, and accurately predicted the amount of pressurant needed to maintain the required tank pressure throughout the static drain. The static simulation predicted the temperature stratification in the ullage observed at the end of the drain. During the methane expulsion with sloshing test, many features were successfully captured using the k-omega turbulence model with interfacial turbulence damping included. The rate of phase change and liquid temperature was overpredicted compared to the experimental measurements. The overprediction may be attributed to uncertainties in the vessel geometry, methane pressurant temperature and composition, and methodological differences in how the sloshing frequency was adjusted during the expulsion.

Cryogenic Propellants↗
NASA NTRS2023

Molecular Dynamics Simulations of Austenite-Martensite Interfaces in NiTi Shape Memory Alloys

The unique properties of shape memory alloys (SMAs) arise from a reversible martensitic transformation. The nucleation and migration of austenite-martensite interfaces are the key to understanding the SMA properties. Molecular dynamics (MD) simulations can provide important atomic-scale information about these aspects of the transformation, but their time scales prevent the interface formation under near-equilibrium conditions relevant to experiment. We present a new MD methodology which allows for the natural formation of energetically preferred austenite-martensite interfaces under near-equilibrium conditions. Our simulation demonstrates that the interfaces in NiTi are semi-coherent, composed of a series of terrace planes and structural disconnections, and they migrate rapidly through single crystals with only a small thermodynamic driving force. In bi-crystals and polycrystals, the migration of these same interfaces is significantly impeded by grain boundaries and stored elastic energy. This behavior can result in SMA hysteresis via several mechanisms associated with nucleation and non-elastic strain accommodation.

Gabriel Plummer↗
NASA NTRSDate not supplied

Scalable Variable Charge Molecular Dynamics Simulations of Metal-Oxide Systems

Interfaces between metals and oxides are an important feature in many technologically relevant materials, e.g., oxidation of metal surfaces, oxide-dispersion strengthened (ODS) alloys, dielectric components, and thermal barrier coatings among others. Experimental studies of such interfaces are challenging since the majority are buried within the bulk, making computational modeling an attractive alternative. Molecular dynamics (MD) simulations operate at the length scales relevant to many interface-mediated mechanisms, but the requisite interatomic potentials for metal-oxide systems require computationally expensive variable charge schemes to account for the disparate bonding types, thus often limiting their effectiveness. Here we introduce several improvements to the charge transfer interatomic potential (CTIP) model which enable greater computational efficiency for large scale MD simulations. Then, using a new CTIP parametrization for the Ni-O system, we demonstrate its capabilities to capture critical atomic scale mechanisms associated with metal-oxide interfaces. Long time scale simulations (>10 ns) are used to investigate high temperature oxidation and oxide precipitation from the melt, and large length scale simulations (> 1 million atoms) are used to study the interaction of dislocations with oxide particles. We have implemented the new CTIP model in the widely used, open-source MD code LAMMPS.

Gabriel Plummer↗
NASA NTRS1996

Dynamical Simulation of Probabilities

It has been demonstrated that classical probabilities, and in particular, probabilistic Turing machine, can be simulated by combining chaos and non-Lipschitz dynamics, without utilization of any man-made devices(such as random number generators). Self-orgainizing properties of systems coupling simulated and calculated probabilities and their link to quantum computations are discussed. Special attention was focused upon coupled stochastic processes, defined in terms of conditional probabilities, for which joint probability does not exist. Simulations of quantum probabilities are also discussed.

number generators quantum probabilities↗
NASA NTRS1989

Parallel conjugate gradient algorithms for manipulator dynamic simulation

Parallel conjugate gradient algorithms for the computation of multibody dynamics are developed for the specialized case of a robot manipulator. For an n-dimensional positive-definite linear system, the Classical Conjugate Gradient (CCG) algorithms are guaranteed to converge in n iterations, each with a computation cost of O(n); this leads to a total computational cost of O(n sq) on a serial processor. A conjugate gradient algorithms is presented that provide greater efficiency using a preconditioner, which reduces the number of iterations required, and by exploiting parallelism, which reduces the cost of each iteration. Two Preconditioned Conjugate Gradient (PCG) algorithms are proposed which respectively use a diagonal and a tridiagonal matrix, composed of the diagonal and tridiagonal elements of the mass matrix, as preconditioners. Parallel algorithms are developed to compute the preconditioners and their inversions in O(log sub 2 n) steps using n processors. A parallel algorithm is also presented which, on the same architecture, achieves the computational time of O(log sub 2 n) for each iteration. Simulation results for a seven degree-of-freedom manipulator are presented. Variants of the proposed algorithms are also developed which can be efficiently implemented on the Robot Mathematics Processor (RMP).

Fijany, Amir↗
NASA NTRS2024

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗
NASA NTRSDate not supplied

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗
NASA NTRSDate not supplied

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

The formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗
NASA NTRSDate not supplied

Characterizing Porous and Nonporous Phenolic Resins from Molecular Dynamics Simulations

Phenolic resins are an important component of many ablative heat shield materials, which protect spacecrafts from the extreme temperatures reached during atmospheric entry. Examples include the high-density Heritage Carbon Phenolic (HCP) used in the Pioneer-Venus and Galileo missions, as well as the low-density Phenolic Impregnated Carbon Ablator (PICA) used in the Mars Science Laboratory and Mars 2020 missions. Additionally, recent developments within NASA have produced the mid-density Heatshield for Extreme Entry Environment Technology (HEEET) and its derivative 3D Woven Mid-Density Carbon Phenolic (3MDCP). Unlike the nonporous phenolic in HCP, PICA and HEEET/3MDCP are fabricated by infusing preforms with diluted phenolic formulations to obtain a lower density porous matrix. Despite the importance of the phenolic phase to the material response during entry, the variation in properties of porous and nonporous phenolic is not well understood. Here, we present an investigation of porous and nonporous phenolic resins using molecular dynamics (MD) simulations. Resin cure is mimicked in the simulations through the inclusion of representative reaction templates to generate accurate models of the complex crosslinked structures. To create porous models, explicit solvent molecules are included during the cure simulations. We observe nanoscale separation of the phenolic and solvent phases, which results in significant differences in the final structures of porous and nonporous models. In addition to a quantitative assessment of the network structure and porosity, we elucidate the effects of the phenolic formulation on the final material properties. These results are compared with experimental data as appropriate.

phenolic↗
NASA NTRS1993

Computational strategies in the dynamic simulation of constrained flexible MBS

This research focuses on the computational dynamics of flexible constrained multibody systems. At first a recursive mapping formulation of the kinematical expressions in a minimum dimension as well as the matrix representation of the equations of motion are presented. The method employs Kane's equation, FEM, and concepts of continuum mechanics. The generalized active forces are extended to include the effects of high temperature conditions, such as creep, thermal stress, and elastic-plastic deformation. The time variant constraint relations for rolling/contact conditions between two flexible bodies are also studied. The constraints for validation of MBS simulation of gear meshing contact using a modified Timoshenko beam theory are also presented. The last part deals with minimization of vibration/deformation of the elastic beam in multibody systems making use of time variant boundary conditions. The above methodologies and computational procedures developed are being implemented in a program called DYAMUS.

Amirouche, F. M. L.↗
NASA NTRS1998

Test of a flexible spacecraft dynamics simulator

There are a number of approaches one can take to modeling the dynamics of a flexible body. While one can attempt to capture the full dynamical behavior subject to disturbances from actuators and environmental torques, such a detailed description often is unnecessary. Simplification is possible either by limiting the amplitude of motion to permit linearization of the dynamics equations or by restricting the types of allowed motion. In this work, we study the nonlinear dynamics of bending deformations of wire booms on spinning spacecraft. The theory allows for large amplitude excursions from equilibrium while enforcing constraints on the dynamics to prohibit those modes that are physically less relevant or are expected to damp out fast. These constraints explicitly remove the acoustic modes (i.e., longitudinal sound waves and shear waves) while allowing for arbitrary bending and twisting, motions which typically are of lower frequency. As a test case, a spin axis reorientation maneuver by the Polar Plasma Laboratory (POLAR) spacecraft has been simulated. POLAR was chosen as a representative spacecraft because it has flexible wire antennas that extend to a length of 65 meters. Bending deformations in these antennas could be quite large and have a significant effect on the attitude dynamics of the spacecraft body. Summary results from the simulation are presented along, with a comparison with POLAR flight data.

Dichmann, Donald↗
NASA NTRS1989

Development of efficient computer program for dynamic simulation of telerobotic manipulation

Research in robot control has generated interest in computationally efficient forms of dynamic equations for multi-body systems. For a simply connected open-loop linkage, dynamic equations arranged in recursive form were found to be particularly efficient. A general computer program capable of simulating an open-loop manipulator with arbitrary number of links has been developed based on an efficient recursive form of Kane's dynamic equations. Also included in the program is some of the important dynamics of the joint drive system, i.e., the rotational effect of the motor rotors. Further efficiency is achieved by the use of symbolic manipulation program to generate the FORTRAN simulation program tailored for a specific manipulator based on the parameter values given. The formulations and the validation of the program are described, and some results are shown.

Chen, J.↗
NASA NTRS1988

Obstacles to high fidelity multibody dynamics simulation

The authors take a wide ranging look at issues involved in the dynamic modeling of complex, multibodied orbiting space systems. The nature of the multibody problem is reviewed and capabilities and limitations of two major codes (DISCOS, TREETOPS) are assessed. Problem areas that limit accuracy or contribute to uncertainty in the modeling, simulation process are identified. As a specific case, the significance of including, or of not including, second-degree geometric nonlinearity in the elastic displacement field (foreshortening) is evaluated. Conclusions and recommendations are made concerning the direction future development should take to achieve higher-fidelity and more computationally efficient multibody software solutions.

Lips, K. W.↗
NASA NTRS1974

The effect of simulator dynamics on pilot response

The effects of visual display dynamics on the altitude tracking performance of a subject in a fixed base flight simulator are considered. The subject, flying the linearized longitudinal equations of motion, attempts to maintain the same altitude as two airplanes positioned three hundred feet ahead, as in level formation flying. The horizon together with the two leading aircraft are represented symbolically on a CRT display. The subject's aircraft is disturbed by atmospheric turbulence. The data indicate a relationship between the bandwidth of the display dynamics and the short period characteristics of the simulated airplane. For an airplane with a relatively fast pitch response the presence of altitude display dynamics, with a bandwidth as high as five times the short period natural frequency, causes significant degradation of altitude tracking performance.

Weener, E. F.↗
NASA NTRSDate not supplied

Validation of Cryogenic Propellant Tank Filling using Computational Fluid Dynamics Simulation

Validation of cryogenic propellant tank filling was performed using the Computational Fluid Dynamics (CFD) solver Loci/STREAM-VoF. The validation effort helped identify modeling methodologies that enable NASA to best support its partners in both launch pad and on-orbit filling operations. Data from liquid hydrogen ground tests filled via jet injection were used for the validation effort which include a sensitivity to initial tank wall temperature. Initially hot walls are expected to yield rapid evaporation and possibly boiling. A Volume of Fluid (VoF) methodology was used to capture the gas-liquid interface. Rapid breakup of the liquid jet was observed in simulation results as liquid evaporated and expanded. Inflowing liquid transitioned to a contiguous jet as tank temperatures decreased, gas pressure increased, and saturation conditions at the incoming liquid temperature were approached. The final phase of filling was distinguished by rapid gas pressure rise due to a higher rate of gas volume compression than condensation at the liquid surface. Key physics of propellant tank filling were captured in the computational predictions, and opportunities for added simulation robustness and efficiency in future modeling efforts were identified.

CFM↗
NASA NTRS1997

Molecular Dynamics Simulation of a Multi-Walled Carbon Nanotube Based Gear

We used molecular dynamics to investigate the properties of a multi-walled carbon nanotube based gear. Previous work computationally suggested that molecular gears fashioned from (14,0) single-walled carbon nanotubes operate well at 50-100 gigahertz. The gears were formed from nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. The gear in this study was based on the smallest multi-walled nanotube supported by some experimental evidence. Each gear was a (52,0) nanotube surrounding a (37,10) nanotube with approximate 20.4 and 16,8 A radii respectively. These sizes were chosen to be consistent with inter-tube spacing observed by and were slightly larger than graphite inter-layer spacings. The benzyne teeth were attached via 2+4 cycloaddition to exterior of the (52,0) tube. 2+4 bonds were used rather than the 2+2 bonds observed by Hoke since 2+4 bonds are preferred by naphthalene and quantum calculations by Jaffe suggest that 2+4 bonds are preferred on carbon nanotubes of sufficient diameter. One gear was 'powered' by forcing the atoms near the end of the outside buckytube to rotate to simulate a motor. A second gear was allowed to rotate by keeping the atoms near the end of its outside buckytube on a cylinder. The ends of both gears were constrained to stay in an approximately constant position relative to each other, simulating a casing, to insure that the gear teeth meshed. The stiff meshing aromatic gear teeth transferred angular momentum from the powered gear to the driven gear. The simulation was performed in a vacuum and with a software thermostat. Preliminary results suggest that the powered gear had trouble turning the driven gear without slip. The larger radius and greater mass of these gears relative to the (14,0) gears previously studied requires a smaller rotation rate and multiple rows of teeth to avoid excessive force on the gear teeth resulting, in slip and failure of the driven gear to turn. We hope that studies such as these will eventually lead to synthesis of components that can be assembled into atomically precise fullerene machines. These machines, in turn, may someday be used in machine-phase fullerene materials with remarkable properties.

Han, Jie↗