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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

On the importance of collective excitations for thermal transport in graphene

We use equilibrium molecular dynamics (MD) simulations to study heat transport in bulk single-layer graphene. Through a modal analysis of the MD trajectories employing a time-domain formulation, we find that collective excitations involving flexural acoustic (ZA) phonons, which have been neglected in the previous MD studies, actually dominate the heat flow, generating as much as 78% of the flux. These collective excitations are, however, much less significant if the atomic displacements are constrained in the lattice plane. Although relaxation is slow, we find graphene to be a regular (non-anomalous) heat conductor for sample sizes of order 40 μm and more.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Kinematic analysis of in situ measurement during chemical mechanical planarization process

Chemical mechanical planarization (CMP) is the most widely used planarization technique in semiconductor manufacturing presently. With the aid of in situ measurement technology, CMP tools can achieve good performance and stable productivity. However, the in situ measurement has remained unexplored from a kinematic standpoint. The available related resources for the kinematic analysis are very limited due to the complexity and technical secret. In this paper, a comprehensive kinematic analysis of in situ measurement is provided, including the analysis model, the measurement trajectory, and the measurement time of each zone of wafer surface during the practical CMP process. In addition, a lot of numerical calculations are performed to study the influences of main parameters on the measurement trajectory and the measurement velocity variation of the probe during the measurement process. All the efforts are expected to improve the in situ measurement system and promote the advancement in CMP control system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Quantum chemical replica-exchange umbrella sampling molecular dynamics simulations reveal the formation mechanism of iron phthalocyanine from iron and phthalonitrile

Phthalocyanine (Pc) and its metal complexes (MPcs) have been used industrially since their discovery in the early 20th century. The phthalonitrile (PN) method is a well-known synthesis method in which Pc or MPc can be afforded by heating a mixture of PN and metal powders over 280 °C with only moderate yield. However, the formation mechanism of the phthalocyanines and the intermediate stages of this seemingly simple reaction have yet to be fully understood. To study this mechanism computationally, we carried out quantum chemical molecular dynamics (MD) simulations based on the density-functional tight-binding (DFTB) method, applying the replica-exchange umbrella sampling (REUS) method, starting from four PN molecules and one iron atom. The DFTB-REUS-MD simulations successfully yielded FePc, and a metastable structure very similar to FePc but with a reactive nitrene unit was also identified that might explain the incomplete conversion of the reactants into FePc. Furthermore, analysis of the MD trajectories reveals a three-step FePc formation mechanism for the PN method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Quantum electrodynamic cascade structure in a standing linearly polarised wave

We have performed an analysis of plasma structures formed as a result of the quantum electrodynamic (QED) cascade development in the field of a standing linearly polarised plane wave at various field amplitudes. In view of the spatially inhomogeneous cascade dynamics and complicated particle motion, it is proposed to use spatial distributions of plasma density averaged over the half-period of the field, i.e. integral structures. Based on the analysis of of particle trajectories and integral structures with and without allowance for the QED cascade, various plasma structures are revealed and the amplitude thresholds of their occurrence are determined. It is shown that the integral structure maxima may arise not only at the electric field nodes or antinodes, as in a circularly polarised field, but also in the intermediate regions between them. (paper)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Quasiclassical sampling and Wigner sampling of initial vibrational coordinates and momenta for polyatomic molecules in Monte Carlo molecular dynamics simulations

In a quasiclassical trajectory simulation, the vibrational modes are initialised with quantised vibrational energies, but vibrational phases are sampled by Monte Carlo. This requires an algorithm to assign coordinates and momenta to the various atoms. In this work, we present two methods for implementing this for nonrotating polyatomic molecules, namely, fixed-energy vibrational-state-selected initial conditions and thermal initial conditions. We also present a method for initiating classical trajectories with a ground-state Wigner distribution. These vibrational treatments are sufficient to initialise trajectories for unimolecular processes, and we also show how they can be applied to simulate bimolecular collision processes. The treatments of unimolecular and bimolecular collision processes are available in two Python codes called wigner_state_selected.py and bimolecular_collision.py, respectively, which will generate initial condition files that are recognisable by the SHARC and SHARC-MN computer programs for dynamics calculations. Both codes are available as standalone programs, as well as being included in SHARC-MN, and they will be included in future versions of SHARC. Here, the methods implemented in these codes are mostly also available in the ANT computer program, and those that are not available in ANT will be incorporated in future versions of ANT.

Wigner distribution↗
DOE OSTI2015

RADIAL FLOW PATTERN OF A SLOW CORONAL MASS EJECTION

Height–time plots of the leading edge of coronal mass ejections (CMEs) have often been used to study CME kinematics. We propose a new method to analyze the CME kinematics in more detail by determining the radial mass transport process throughout the entire CME. Thus, our method is able to estimate not only the speed of the CME front but also the radial flow speed inside the CME. We have applied this method to a slow CME with an average leading edge speed of about 480 km s{sup −1}. In the Lagrangian frame, the speeds of the individual CME mass elements stay almost constant within 2 and 15 R{sub S}, the range over which we analyzed the CME. Hence, we have no evidence of net radial forces acting on parts of the CME in this range or of a pile up of mass ahead of the CME. We find evidence that the leading edge trajectory obtained by tie-pointing may gradually lag behind the Lagrangian front-side trajectories derived from our analysis. Our results also allow a much more precise estimate of the CME energy. Compared with conventional estimates using the CME total mass and leading edge motion, we find that the latter may overestimate the kinetic energy and the gravitational potential energy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Community Public Mobility Using On-Demand, Low-Speed Electric Vehicles: A Case Study in Downtown St. Louis, Missouri

Legacy fixed route transit systems designed to serve commuters struggle to provide efficient and effective service for short neighborhood trips and for population groups unable to access and egress transit stops using active modes (e.g., elderly, disabled). Neighborhood on-demand transit (ODT) services using low-speed electric vehicles (LSEV) are an innovative technological solution that can help fill this gap in service (e.g., short, high-frequency trips) for diverse populations and trip types. This study evaluated user characteristics and travel behavior for a neighborhood ODT service (using LSEVs) in downtown St. Louis, Missouri using responses from a community survey (n=244), ridership data, and vehicle trajectory information. A comparative analysis between neighborhood ODT, fixed route transit, and transportation network companies (TNC) was also conducted from the perspectives of total travel time, cost, and greenhouse gas emissions. Ultimately, the goal of the analysis was to motivate and inform holistic public mobility systems where different services are optimized to meet specific community needs. Findings indicate that the neighborhood ODT was effective at reaching diverse populations (elderly (20%), lower income (27%), and households with limited access to private vehicles (34%)). ODT reduced total travel time by 32% compared to fixed route transit, produced 2.4 - 4.3 times less greenhouse gas emissions per passenger mile (compared to transit and TNCs), and was more affordable (free to users) than alternative options ($1 for transit, $10-12 for TNCs). Overall satisfaction rates were high, with 80% of respondents rating the service a 4 or 5 out of 5.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Western Interconnection Baseline Study

The purpose of the baseline study is to evaluate the degree to which current industry planning processes meet the national 2035 decarbonization goals for the Western Interconnection. This analysis serves as a comparative baseline for the scenario analysis conducted in the NTP Study using a Western Interconnection dataset that is readily available to industry. This baseline analysis differs from the production cost modeling analysis and power flow analysis in the main NTP Study report (forthcoming). In particular, the analysis presented in this report reflects a business-as-usual future with an optimistic build out of specific planned transmission projects and foreseeable generation. In contrast, the NTP Study models a future generation and transmission expansion based on optimization from a capacity expansion model. The analysis presented herein also reflects a 2030 timeframe, whereas the main NTP Study production cost modeling analysis and power flow analysis reflect a 2035 time frame. This baseline analysis utilizes industry’s most reliable data to account for future transmission projects across various stages of development, with a particular focus on those in the permitting stage. Additionally, it incorporates projections for changes in generation capacity (both additions and retirements). This baseline analysis outlines a probable trajectory, given current process and practice, for the future of the bulk power system with a horizon extending to 2030.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1977

Stability and control of maneuvering high-performance aircraft

The stability and control of a high-performance aircraft was analyzed, and a design methodology for a departure prevention stability augmentation system (DPSAS) was developed. A general linear aircraft model was derived which includes maneuvering flight effects and trim calculation procedures for investigating highly dynamic trajectories. The stability and control analysis systematically explored the effects of flight condition and angular motion, as well as the stability of typical air combat trajectories. The effects of configuration variation also were examined.

Stengel, R. F.↗
NASA NTRS1983

U.S. planetary protection program - Implementation highlights

The implementation of the United States planetary protection program, intended to prevent the contamination of the celestial bodies in the solar system during their exploration, in recent interplanetary projects is reviewed. The shift in planetary protection policy from that of absolute sterilization to a probabilistic approach is noted. Attention is then given to the use of microbiological assay, organic materials inventory, microbial burden reduction, contamination control, trajectory biasing and the analysis and identification of contaminating processes for purposed of planetary protection for the Pioneer 10 and 11, Viking and Voyager projects. The success of these measures, as demonstrated by the prevention of accidental planetary impact and the failure to detect terrestrial organisms by the Viking life detection experiments, is pointed out.

Barengoltz, J.↗
NASA NTRS1985

Cometary atmospheres: Modeling the spatial distribution of observed neutral radicals

An algorithm for the random walk problem of multiple elastic collisions between newly formed non-thermal neutral cometary radicals and the outflowing cometary molecules was incorporated into the Monte Carlo particle-trajectory model. Preliminary model analysis has shown that the effects of collision on the observed spatial distribution of cometary radicals becomes important for the larger bright comets, especially at smaller values of the helicocentric distance. The model and early results are discussed herein.

Combi, M. R.↗
NASA NTRS1987

Atmospheric reentry of the in-core thermionic SP-100 reactor system

Presumed end-of-life atmospheric reentry of the GA SP-100 system was studied to assess dispersal feasibility and associated hazards. Reentry was studied by sequential use of an orbital trajectory and a heat analysis computer program. Two heating models were used. The first model assumed a thermal equilibrium condition between the stagnation point aerodynamic heating and the radiative cooling of the skin material surface. The second model allowed for infinite conductivity of the skin material. Four reentering configurations were studied representing stages of increased SP-100 breakup: (1) radiator, shield and reactor, (2) shield and reactor, (3) reactor with control drums, and (4) reactor without control drums. Each reentering configuration was started from a circular orbit at 116 km having an inertial velocity near Mach 25. The assumed failing criterion was the attainment of melting temperature of a critical system component. The reentry analysis revealed breakup of the vessel in the neighborhood of 61 km altitude and scattering of the fuel elements. Subsequent breakup of the fuel elements was not predicted. Oxidation of the niobium skin material was calculated to cause an increase in surface temperature of less than ten percent. The concept of thermite analogs for enhancing reactor reentry dispersal was assessed and found to be feasible in principle. A conservative worst-case hazards analysis was performed for radioactive and nonradioactive toxic SP-100 materials assumed to be dispersed during end-of-life reentry. The hazards associated with this phase of the SP-100 mission were calculated to be insignificant.

Stamatelatos, M. G.↗
NASA NTRS1989

THREAD: A programming environment for interactive planning-level robotics applications

THREAD programming language, which was developed to meet the needs of researchers in developing robotics applications that perform such tasks as grasp, trajectory design, sensor data analysis, and interfacing with external subsystems in order to perform servo-level control of manipulators and real time sensing is discussed. The philosophy behind THREAD, the issues which entered into its design, and the features of the language are discussed from the viewpoint of researchers who want to develop algorithms in a simulation environment, and from those who want to implement physical robotics systems. The detailed functions of the many complex robotics algorithms and tools which are part of the language are not explained, but an overall impression of their capability is given.

Beahan, John J., Jr.↗
NASA NTRS1990

A singular perturbation approach to pitch-loop design

It is shown that it is possible to construct a controller for the inner loop which is consistent with the performance index used in shaping the trajectory. Although the complete analysis has been carried out only for a model without an RCS, the resulting pitch-loop control is of interest. The gains depend on the system only through the parameter Omega and do not depend on the outer performance index in any way.

Cliff, Eugene M.↗
NASA NTRS1992

NASA/USRA advanced design program

This report analyzes and presents a preliminary design for an experimental hypersonic vehicle. This plane will have a cruise speed of Mach 12 for one minute at an altitude of 120,000 feet. The major design areas of aerodynamics, propulsion, and weights are discussed in depth. An elementary analysis of thermal protection, trajectory, and cost is also presented. Finally, a discussion of future plans and recommendations is given, and overall conclusions are drawn.

Source record↗