Search NASA⌕ Search

SEARCH · Search NASA

Results for “HoP”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A Practical Approach to Wave Function Propagation, Hopping Probabilities, and Time Steps in Surface Hopping Calculations

We compare several established approaches for propagating wave functions and calculating hopping probabilities within the fewest switches surface hopping (FSSH) algorithm for difficult cases with many electronic states and many trivial crossings. If only a single time step (Δt c ) is employed, we find that no published approach can accurately capture the dynamics correctly unless Δt c → 0 (which is not computationally feasible). If multiple time steps are employed, for a fixed classical time step (Δt c ), a robust scheme can be found for dynamically choosing quantum time steps (δt q1 and δt q2 ) and calculating hopping probabilities so that one can systematically reduce all errors and achieve maximally efficient accuracy; scattering calculations confirm that one can choose a fairly large classical time step. Furthermore, the robust scheme presented here uses both the “local diabatic” and adiabatic interpolation and thus borrows elements from both the Granucci/Persico and Meek/Levine algorithms. Our findings should be broadly applicable in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Beyond the universal Dyson singularity for 1-D chains with hopping disorder

We study a simple non-interacting nearest neighbor tight-binding model in one dimension with disorder, where the hopping terms are chosen randomly. This model exhibits a well-known singularity at the band center both in the density of states and localization length. If the probability distribution of the hopping terms is well-behaved, then the singularities exhibit universal behavior, the functional form of which was first discovered by Freeman Dyson in the context of a chain of classical harmonic oscillators. We show here that this universal form can be violated in a tunable manner if the hopping elements are chosen from a divergent probability distribution. We also demonstrate a connection between a breakdown of universality in this quantum problem and an analogous scenario in the classical domain — that of random walks and diffusion with anomalous exponents.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping

Non-adiabatic chemical reactions involving continuous circularly polarized light (cw CPL) have not attracted as much attention as dynamics in unpolarized/linearly polarized light. However, including circularly (in contrast to linearly) polarized light allows one to effectively introduce a complex-valued time-dependent Hamiltonian, which offers a new path for control or exploration through the introduction of Berry forces. Here, we investigate several inexpensive semiclassical approaches for modeling such nonadiabatic dynamics in the presence of a time-dependent complex-valued Hamiltonian, beginning with a straightforward instantaneous adiabatic fewest-switches surface hopping (IA-FSSH) approach (where the electronic states depend on position and time), continuing to a standard Floquet fewest switches surface hopping (F-FSSH) approach (where the electronic states depend on position and frequency), and ending with an exotic Floquet phase-space surface hopping (F-PSSH) approach (wherethe electronic states depend on position, frequency, and momentum). Using a set of model systems with time-dependent complex-valued Hamiltonians, we show that the Floquet phase- space adiabats are the optimal choice of basis as far as accounting for Berry phase effects and delivering accuracy. Furthermore, the F-PSSH algorithm sets the stage for modeling nonadiabatic dynamics under strong externally pumped circular polarization in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Exact-Factorization-Based Surface Hopping for Multistate Dynamics

A surface-hopping algorithm recently derived from the exact factorization approach, SHXF, introduces an additional term in the electronic equation of surface hopping that couples electronic states through the quantum momentum. Furthermore, this term not only provides a first-principles description of decoherence, but here we show it is crucial to accurately capture nonadiabatic dynamics when more than two states are occupied at any given time. Using a vibronic coupling model of the uracil cation, we show that the lack of this term in traditional surface-hopping methods, including those with decoherence corrections, leads to failure to predict the dynamics through a three-state intersection, while SHXF performs similarly to the multiconfiguration time-dependent Hartree quantum dynamics benchmark.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Exact-Factorization-Based Surface Hopping without Velocity Adjustment

While surface hopping has emerged as a powerful method for simulating non-adiabatic dynamics in large molecules, the ad hoc nature of the necessary velocity adjustments and decoherence corrections in the algorithm somewhat reduces its reliability. Here we propose a new scheme that eliminates these aspects by combining the nuclear equation from the quantum-trajectory surface-hopping approach with the electronic equation derived from the exact-factorization approach. Furthermore, the resulting method, denoted QTSH-XF, yields a surface-hopping method on firmer ground than previous and is shown to successfully capture dynamics in Tully models and in a linear vibronic coupling model of the photoexcited uracil cation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Hopping with an Adaptive Hop Probability Distribution

Monotonic Basin Hopping (MBH) is a stochastic global search technique that may be used to design complex interplanetary trajectories. Previous research on MBH empirically demonstrated that a bi-polar Pareto distribution is an effective way to generate search “hops.” However, no analytical foundation exists to explain this performance. In this work we provide the beginning of that analytical foundation and also introduce a new variant of MBH that uses an adaptive probability distribution to generate the hops. The technique is demonstrated on historical interplanetary trajectory design problems.

A C Englander↗
NASA NTRS2010

Steerable Hopping Six-Legged Robot

The figure depicts selected aspects of a six-legged robot that moves by hopping and that can be steered in the sense that it can be launched into a hop in a controllable direction. This is a prototype of hopping robots being developed for use in scientific exploration of rough terrain on remote planets that have surface gravitation less than that of Earth. Hopping robots could also be used on Earth, albeit at diminished hopping distances associated with the greater Earth gravitation. The upper end of each leg is connected through two universal joints to an upper and a lower hexagonal frame, such that the tilt of the leg depends on the relative position of the two frames. Two non-back-driveable worm-gear motor drives are used to control the relative position of the two frames along two axes 120 apart, thereby controlling the common tilt of all six legs and thereby, further, controlling the direction of hopping. Each leg includes an upper and a lower aluminum frame segment with a joint between them. A fiberglass spring, connected via hinges to both segments, is used to store hopping energy prior to launch into a hop and to cushion the landing at the end of the hop. A cable for loading the spring is run into each leg through the center of the universal joints and then down along the center lines of the segments to the lower end of the leg. A central spool actuated by a motor with a harmonic drive and an electromagnetic clutch winds in all six cables to compress all six springs (thereby also flexing all six legs) simultaneously. To ensure that all the legs push off and land in the same direction, timing- belt pulley drives are attached to the leg segments, restricting the flexing and extension of all six legs to a common linear motion. In preparation for a hop, the spool can be driven to load the spring legs by an amount corresponding to a desired hop distance within range. The amount of compression can be computed from the reading of a shaft-angle encoder that indicates the amount by which the spool has been turned. When the robot is ready to hop, the electromagnetic clutch disengages the motor from the spool, thus releasing the cable restraints on the springs and allowing the springs to extend all six legs simultaneously.

Younse, Paulo↗
NASA NTRS2015

High-Speed On-Board Data Processing for Science Instruments: HOPS

The project called High-Speed On-Board Data Processing for Science Instruments (HOPS) has been funded by NASA Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST) program during April, 2012 â€" April, 2015. HOPS is an enabler for science missions with extremely high data processing rates. In this three-year effort of HOPS, Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) and 3-D Winds were of interest in particular. As for ASCENDS, HOPS replaces time domain data processing with frequency domain processing while making the real-time on-board data processing possible. As for 3-D Winds, HOPS offers real-time high-resolution wind profiling with 4,096-point fast Fourier transform (FFT). HOPS is adaptable with quick turn-around time. Since HOPS offers reusable user-friendly computational elements, its FPGA IP Core can be modified for a shorter development period if the algorithm changes. The FPGA and memory bandwidth of HOPS is 20 GB/sec while the typical maximum processor-to-SDRAM bandwidth of the commercial radiation tolerant high-end processors is about 130-150 MB/sec. The inter-board communication bandwidth of HOPS is 4 GB/sec while the effective processor-to-cPCI bandwidth of commercial radiation tolerant high-end boards is about 50-75 MB/sec. Also, HOPS offers VHDL cores for the easy and efficient implementation of ASCENDS and 3-D Winds, and other similar algorithms. A general overview of the 3-year development of HOPS is the goal of this presentation.

Beyon, Jeffrey↗
NASA NTRS2003

Hopping Robot with Wheels

A small prototype mobile robot is capable of (1) hopping to move rapidly or avoid obstacles and then (2) moving relatively slowly and precisely on the ground by use of wheels in the manner of previously reported exploratory robots of the "rover" type. This robot is a descendant of a more primitive hopping robot described in "Minimally Actuated Hopping Robot" (NPO- 20911), NASA Tech Briefs, Vol. 26, No. 11 (November 2002), page 50. There are many potential applications for robots with hopping and wheeled-locomotion (roving) capabilities in diverse fields of endeavor, including agriculture, search-and-rescue operations, general military operations, removal or safe detonation of land mines, inspection, law enforcement, and scientific exploration on Earth and remote planets. The combination of hopping and roving enables this robot to move rapidly over very rugged terrain, to overcome obstacles several times its height, and then to position itself precisely next to a desired target. Before a long hop, the robot aims itself in the desired hopping azimuth and at a desired takeoff angle above horizontal. The robot approaches the target through a series of hops and short driving operations utilizing the steering wheels for precise positioning.

Barlow, Edward↗
DOE OSTI2023

HopBox: An image analysis pipeline to characterize hop cone morphology

Abstract Hop cone morphology can influence picking and drying ability, and color can impact consumer preference and may be indicative of quality. However, these characteristics are not generally evaluated in hop breeding programs due to the tedious nature of trait quantification and the extensive variation among cones within a genotype. We developed the HopBox, which is a simply constructed light box with a camera mount, and a publicly available image processing pipeline that identifies hop cones within color‐corrected images, reads a QR code within the image, and outputs data on hop cone length, width, area, perimeter, openness, weight, color, and density. The trained model was applied to images of 500 cones each from 15 replicated advanced hop genotypes from the USDA‐ARS breeding program in Prosser, Washington. Analysis of variance revealed significant ( p < 0.001) differences between genotypes for all traits measured, enabling breeders to discriminate between genotypes for selection purposes. Broad sense heritability for all traits ranged from 0.23 to 0.59. A random sampling of hop cones from the complete dataset revealed that imaging only 5–10 cones adequately captured genotypic variation and provided acceptable rank correlations ( r s > 0.75); however, increasing the sample size to 30 provided optimal precision. Instructions for constructing a HopBox and the code for the analysis pipeline are publicly available online and have wide applicability for hop breeding and research.

Altendorf, Kayla R.↗
DOE OSTI2024

Block Mott insulating state induced by next-nearest-neighbor hopping in the S = 3 2 zigzag chain BaCoTe 2 O 7

Quasi-one-dimensional correlated electronic multiorbital systems with either ladder or chain geometries continue attracting considerable interest due to their complex electronic phases arising from the interplay of the hopping matrix, the crystal-field splitting, the electronic correlations (Hubbard repulsion U and Hund coupling J H ), and strong quantum fluctuations. Recently, the intriguing cobalt zigzag chain system BaCoTe 2 ⁢ O 7 , with electronic density n=7, was prepared experimentally. Here, we systematically study the electronic and magnetic properties of this quasi-one-dimensional compound from the theoretical perspective. Based on first-principles density functional theory calculations, strongly anisotropic one-dimensional electronic Co 3⁢d bands were found near the Fermi level. By evaluating the relevant hopping amplitudes, we provide the magnitude and origin of the nearest-neighbor (NN) and next-nearest-neighbor (NNN) hopping matrices in BaCoTe 2 ⁢ O 7 . With this information, we constructed a three-orbital electronic Hubbard model for this zigzag chain system, and studied two cases: with only a NN hopping matrix, and with NN plus NNN hopping matrices. Introducing the Hubbard and Hund couplings and studying the model via the density matrix renormalization group method, we constructed the ground-state phase diagram. A robust staggered ↑ - ↓ - ↑ - ↓ antiferromagnetic (AFM) region was found when only the NN hopping matrix in the chain direction was employed. However, for the realistic case where the NNN hopping matrix is also included, the dominant state becomes instead a block AFM ↑ - ↑ - ↓ - ↓ order, in agreement with experiments. The system displays Mott insulator characteristics with three half-filled orbitals, when the block AFM order is stable. In conclusion, our results for BaCoTe 2 ⁢O 7 provide guidance to experimentalists and theorists working on this zigzag one-dimensional chain and related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

Performance considerations of frequency-hopping multiple access

The basic system parameters of a frequency-hopping multiple-access system are investigated. Noncoherent binary FSK and M-ary FSK signal formats are studied in a random-access asynchronous environment. Both slow and fast frequency hopping are considered. Under relatively ideal conditions, the degradation in performance with respect to the number of users is determined. The dependence on performance due to hopping rate and bandwidth constraint is developed. It is shown, for example, that, for fast hopping, the optimum hopping rate is that which spreads the users' power over the entire available bandwidth during each baud time. This agrees with the basic spread spectrum philosophy of making the signal appear white over as wide a bandwidth as possible. The computational results describe the trade-off between the number of tones in M-ary FSK and the number of hops per symbol. Given a specified number of tones in the frequency-hopping system, the results describe the manner in which the system degrades as the number of users is increased.

Weber, C. L.↗
NASA NTRS2015

Real-Time On-Board Airborne Demonstration of High-Speed On-Board Data Processing for Science Instruments (HOPS)

The project called High-Speed On-Board Data Processing for Science Instruments (HOPS) has been funded by NASA Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST) program since April, 2012. The HOPS team recently completed two flight campaigns during the summer of 2014 on two different aircrafts with two different science instruments. The first flight campaign was in July, 2014 based at NASA Langley Research Center (LaRC) in Hampton, VA on the NASA's HU-25 aircraft. The science instrument that flew with HOPS was Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) CarbonHawk Experiment Simulator (ACES) funded by NASA's Instrument Incubator Program (IIP). The second campaign was in August, 2014 based at NASA Armstrong Flight Research Center (AFRC) in Palmdale, CA on the NASA's DC-8 aircraft. HOPS flew with the Multifunctional Fiber Laser Lidar (MFLL) instrument developed by Excelis Inc. The goal of the campaigns was to perform an end-to-end demonstration of the capabilities of the HOPS prototype system (HOPS COTS) while running the most computationally intensive part of the ASCENDS algorithm real-time on-board. The comparison of the two flight campaigns and the results of the functionality tests of the HOPS COTS are presented in this paper.

Beyon, Jeffrey Y.↗
DOE OSTI2025

Frustrated electron hopping from the orbital configuration in a two-dimensional lattice

Electron hopping on spatially periodic lattices gives rise to intriguing electronic behaviour. For example, hopping on the geometrically frustrated two-dimensional kagome, dice and Lieb lattices yields electronic band structures with both massless Dirac-like and perfectly dispersion-less, flat bands. As materials featuring the dice and Lieb lattice structures are scarce, an alternative approach proposes to leverage atomic orbitals to realize the characteristic electron hopping of geometrically frustrated lattices. This strategy promises to expand the list of candidate materials with frustrated electron hopping, but is yet to be shown in experiments. Here, in this study, we demonstrate frustrated hopping in the van der Waals intermetallic Pd 5 AlI 2 , emerging from the arrangement of atomic orbitals in a primitive square lattice. Using angle-resolved photoemission spectroscopy and quantum oscillation measurements, we reveal that the band structure of Pd 5 AlI 2 includes linear Dirac-like bands intersected at their crossing point by a locally flat band—an essential characteristic of frustrated hopping in Lieb and dice lattices. Moreover, this compound shows exceptional chemical stability, with its unusual bulk band structure and metallicity persisting in ambient conditions down to the monolayer limit. Hence, our results showcase a way to realize electronic structures characteristic of geometrically frustrated lattices in non-frustrated systems.

36 MATERIALS SCIENCE↗