Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Orbital hybridization”

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 127 records · Page 7

NASA Tech Briefs, June 2010

Topics covered include: Situational Awareness from a Low-Cost Camera System; Data Acquisition System for Multi-Frequency Radar Flight Operations Preparation; Mercury Toolset for Spatiotemporal Metadata; Social Tagging of Mission Data; Integrating Radar Image Data with Google Maps; Demonstration of a Submillimeter-Wave HEMT Oscillator Module at 330 GHz; Flexible Peripheral Component Interconnect Input/Output Card; Interface Supports Lightweight Subsystem Routing for Flight Applications; MMIC Amplifiers and Wafer Probes for 350 to 500 GHz; Public Risk Assessment Program; Particle Swarm Optimization Toolbox; Telescience Support Center Data System Software; Update on PISCES; Ground and Space Radar Volume Matching and Comparison Software; Web-Based Interface for Command and Control of Network Sensors; Orbit Determination Toolbox; Distributed Observer Network; Computer-Automated Evolution of Spacecraft X-Band Antennas; Practical Loop-Shaping Design of Feedback Control Systems; Fully Printed High-Frequency Phased-Array Antenna on Flexible Substrate; Formula for the Removal and Remediation of Polychlorinated Biphenyls in Painted Structures; Integrated Solar Concentrator and Shielded Radiator; Water Membrane Evaporator; Modeling of Failure for Analysis of Triaxial Braided Carbon Fiber Composites; Catalyst for Carbon Monoxide Oxidation; Titanium Hydroxide - a Volatile Species at High Temperature; Selective Functionalization of Carbon Nanotubes: Part II; Steerable Hopping Six-Legged Robot; Launchable and Retrievable Tetherobot; Hybrid Heat Exchangers; Orbital Winch for High-Strength, Space-Survivable Tethers; Parameterized Linear Longitudinal Airship Model; and Physics of Life: A Model for Non-Newtonian Properties of Living Systems.

Source record↗

Kondo effect in ferromagnetic quantum critical CeRh 6 ⁢Ge 4

The mechanism of a pressure-induced quantum critical point in the heavy fermion ferromagnet CeRh 6 ⁢Ge 4 has attracted interest, as ferromagnetic quantum criticality in a clean itinerant Ce compound is typically avoided. The localized versus itinerant character of the 4⁢𝑓 electrons is a key aspect for understanding this behavior. We investigated the electronic structure of the 4⁢𝑓 shell in CeRh 6 ⁢Ge 4 using core-level photoelectron and x-ray absorption spectroscopy, demonstrating the hybridization of Ce 4⁢𝑓 with the conduction electrons. Linearly polarized x-ray absorption reveals a temperature-dependent linear dichroism consistent with the crystal-electric-field sequence as inferred from the static susceptibility. This dichroism cannot be described by an ionic full-multiplet model alone, but is reproduced by including the Kondo effect within a single-impurity Anderson model in the noncrossing approximation. The Kondo effect mixes higher-lying crystal-field states into a resulting multiorbital ground state with 4⁢𝑓 occupancy, 𝑛 𝑓 ∼ 0.9. Deviations at low temperatures between the measured linear dichroism and calculated dichroism suggest an orbital-dependent Kondo effect. A scenario in which there is a multiorbital ground state and orbital-dependent Kondo hybridization should be a starting point for a model of pressure-induced criticality in CeRh 6 ⁢Ge 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Orbiter aborts from boost: Presimulation report

A description of a hybrid simulation of the 040C orbiter aborting from boost to specified landing site is provided. The simulation starts when the abort is initiated and continues until a terminal energy state (associated with the selected landing site) is reached. At abort it is assumed that all SRM's are jettisoned with the external tank remaining with the orbiter. The simulation described has six degrees of freedom with the vehicle simulated as a rigid body. A conventional form of autopilot is provided to control engine gimbaling during powered flight. An ideal form of an autopilot is provided to test conventional autopilot function and provide pseudo RCS function during coasting flight. The simulation is proposed to provide means for studies of abort guidance function and to gain information concerning ability to control the abort trajectory.

Backman, H. D.↗

Nanoscale Size Effects on Push–Pull Fe–O Hybridization through the Multiferroic Transition of Perovskite ϵ-Fe 2 O 3

Multiferroics have tremendous potential to revolutionize logic and memory devices through new functionalities and energy efficiencies. To reach their optimal capabilities will require better understanding and enhancement of the ferroic orders and couplings. In this work, we use ϵ-Fe 2 O 3 as a model system with a simplifying single magnetic ion. Using 15, 20, and 30 nm nanoparticles, we identify that a modified and size-dependent Fe–O hybridization changes the spin–orbit coupling and strengthens it via longer octahedra chains. Fe–O hybridization is modified through the incommensurate phase, with a unique two-step rearrangement of the electronic environment through this transition with attraction and then repulsion of electrons around tetrahedral Fe. Interestingly, size effects disappear in the high-temperature phase where the strongest Fe–O hybridization occurs. By manipulating this hybridization, we tune and control the multiferroic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Space station utilization and commonality

Several potential ways of utilizing the space station, including utilization of learning experiences (such as operations), utilization of specific elements of hardware which can be largely common between the SS and Mars programs, and utilization of the on-orbit SS for transportation node functions were identified and discussed. The probability of using the SS in all of these areas seems very good. Three different ways are discussed of utilizing the then existing Low Earth Orbit (LEO) SS for operational support during assembly and checkout of the Mars Space Vehicle (SV): attaching the SV to the SS; allowing the SV to co-orbit near the SS; and a hybrid of the first 2 ways. Discussion of each of these approaches is provided, and the conclusion is reached that either the co-orbiting or hybrid approach might be preferable. Artists' conception of the modes are provided, and sketches of an assembly system concept (truss structure and subsystems derivable from the SS) which could be used for co-orbiting on-orbit assembly support are provided.

Butler, John↗

Simulation of Hypervelocity Impact on Aluminum-Nextel-Kevlar Orbital Debris Shields

An improved hybrid particle-finite element method has been developed for hypervelocity impact simulation. The method combines the general contact-impact capabilities of particle codes with the true Lagrangian kinematics of large strain finite element formulations. Unlike some alternative schemes which couple Lagrangian finite element models with smooth particle hydrodynamics, the present formulation makes no use of slidelines or penalty forces. The method has been implemented in a parallel, three dimensional computer code. Simulations of three dimensional orbital debris impact problems using this parallel hybrid particle-finite element code, show good agreement with experiment and good speedup in parallel computation. The simulations included single and multi-plate shields as well as aluminum and composite shielding materials. at an impact velocity of eleven kilometers per second.

Fahrenthold, Eric P.↗

Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations

Linear scaling relationships (LSRs) and Brønsted–Evans–Polanyi (BEP) or transition-state scaling (TSS) relations aid with the prediction of electronic energies. However, temperature effects and pre-exponentials are often taken as constants across metal surfaces or a homologous series. Vibrational scaling relationships (VSRs) offer a way to determine such parameters. Transition-state VSRs (TSVSRs) between local minima and transition states of AH X (A = C, N, O) surface diffusions correlate with BEP relations and broaden to thermochemical property scaling. Using density functional theory, we extend TSVSRs to AHX dehydrogenation reactions on transition-metal surfaces, relating vibrational modes of local minima to transition states. We first predict the slopes of the TSS relations by incorporating bond angles using the Slater–Koster structure factors and hybridization through crystal orbital overlap population analysis and energy overlap integrals between adsorbates and metal surfaces. Additionally, we uncover universal thermochemical property scaling, enabling the estimation of entropies and temperature corrections to enthalpies across a homologous series. Here, we demonstrate both significant vibrational corrections in reactions with low intrinsic electronic barriers and considerable variation in the pre-exponential of a simple dehydrogenation reaction across metals and AH X adsorbates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exceptional Radiation Absorption in a Pentagon-Based Si Allotrope

Excellent photovoltaic performance is predicted in a pentagonal covalent network of Si in a hollow structure exhibiting both thermal and dynamical stability. Consisting of a combination of sp 2 and sp 3 hybridized Si atomic orbitals, the GW0 computed band structure shows an indirect band gap near the zone edge and also a manifold of directly absorbing transitions at frequencies in the window of visible light, in distinction with conventional Si. Hydrogenation of a single sp 2 site is predicted to lead to a robust local magnetic moment. In this study, we find a low formation energy at low pressure that is compatible with other experimentally known phases, suggesting that a stable phase might be obtained.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Absence of long-range magnetic order in Fe 1–δ Te 2 (δ ≈ 0.1) crystals

Transition metal dichalcogenides attract considerable attention due to variety of interesting properties, including long range magnetism in nanocrystals. Here we have investigated magnetic, thermal and electrical properties of FeTe 2 single crystal with iron vacancy defects. Magnetic measurements shows paramagnetic state and the absence of magnetic order with small anisotropy in magnetic susceptibility. Fe 3d orbitals are well hybridized, contributing to bad metal electrical resistivity. Observed thermal conductivity values below room temperature are rather low and comparable to high performance thermoelectric materials. Furthermore, our results indicate that FeTe 2 can form in highly defective marcasite crystal structure which can be exploited in future materials design.

36 MATERIALS SCIENCE↗

A Dedicated Muon EDM Experiment in the `g-2 Storage Ring

Spin precession experiments offer exciting motivations to search for new physics. We propose here an idea of using a modified version of the Muon g-2 storage ring for a potential new scientific program to search for a non-zero muon electric dipole moment (EDM). Using both electric and magnetic dipole fields to produce a "frozen spin" condition for the MDM (all the while enhancing the EDM spin precession), the storage ring would operate at a lower central muon momentum than for the present Muon g-2 measurement. The incident proton beam on target for the muon production can be obtained from the PIP-II high intensity proton beam. Preliminary calculations and simulation results of muon production at 800 MeV PoT, along with the determination of the closed orbit inside the hybrid 'g-2' storage ring configuration, shall be presented. Possibilities of using the 'g-2' storage ring as a test bench to demonstrate the freezing of the MDM spin precession shall be discussed. The operational range of the muon's momentum and energy, and their respective window of electric and magnetic field values to establish the frozen spin condition, shall be presented. We shall also briefly discuss the physics prospects and improvements in muon EDM bounds upon using Fermilab's PIP-II beam.

Narayanan, Aakaash [Fermilab] (ORCID:0000000157944↗

A Dedicated Muon EDM Experiment in the `g-2 Storage Ring

Spin precession experiments offer exciting motivations to search for new physics. We propose here an idea of using a modified version of the Muon g-2 storage ring for a potential new scientific program to search for a non-zero muon electric dipole moment (EDM). Using both electric and magnetic dipole fields to produce a "frozen spin" condition for the MDM (all the while enhancing the EDM spin precession), the storage ring would operate at a lower central muon momentum than for the present Muon g-2 measurement. The incident proton beam on target for the muon production can be obtained from the PIP-II high intensity proton beam. Preliminary calculations and simulation results of muon production at 800 MeV PoT, along with the determination of the closed orbit inside the hybrid 'g-2' storage ring configuration, shall be presented. Possibilities of using the 'g-2' storage ring as a test bench to demonstrate the freezing of the MDM spin precession shall be discussed. The operational range of the muon's momentum and energy, and their respective window of electric and magnetic field values to establish the frozen spin condition, shall be presented. We shall also briefly discuss the physics prospects and improvements in muon EDM bounds upon using Fermilab's PIP-II beam.

Narayanan, Aakaash [Fermilab] (ORCID:0000000157944↗

Nearly-grazing optimal trajectories for aeroassisted orbital transfer

In the present treatment of optimal control problems arising in the study of coplanar aeroassisted orbital transfer, the hybrid combination of propulsive parameters in space and aerodynamic maneuvers employing lift modulation in the sensible atmosphere indicates that the optimal energy-viewpoint solution is the grazing trajectory; this trajectory is characterized by favorable values of the peak heating rate and the peak dynamic pressure. Numerical solutions are obtained by means of the sequential gradient restoration algorithm for optimal control problems. It is found that nearly-grazing trajectories yielding the least-square value of the path inclination have desirable characteristics from the standpoints of energy, heating rate, and dynamic pressure.

Miele, A.↗

ORCAS - Keck Instrument Development - ORKID

A new breed of space-ground hybrid observatory, the Orbiting Configurable Artificial Star (ORCAS) mission is working with the W. M. Keck Observatory (WMKO) to demonstrate the viability of diffraction-limited visible imaging from large ground telescopes. To support that, we have built and delivered ORKID (The ORCAS Keck Instrument Demonstrator) as an early visible-wavelength performance demonstration with the Keck II Adaptive Optics (AO) system. By enabling AO and flux calibration observations, the low-cost ORCAS/ORKID mission will deliver highly detailed images to support many scientific advances. A community driven observation plan will provide Great Observatory quality capabilities open to all US observers. These observations will result in unique science for the mission, while also complementing and extending space-borne science.

Eliad Peretz↗

Orbit-averaging and deposition accuracy for runaway electron beams in hybrid kinetic-MHD simulations of the runaway plateau

We develop a new procedure that combines the kinetic orbit runaway electron code (KORC) and the NIMROD extended-magnetohydrodynamic code to simulate runaway electrons (REs) in the post-disruption plateau. KORC integrates guiding-center orbits, with a barycentric-based binary search strategy providing initial guesses for the Newton–Raphson logical-to-physical coordinate inversion, ensuring reliable particle-to-mesh mapping in NIMROD, whose fields remain static for the present study. Samples are drawn in accord with experimental parallel current profiles of RE beams during the plateau phase. Deposition in NIMROD is verified through comparison with a Python-based finite-element code that ensures periodicity in the poloidal direction and continuity at the magnetic axis. Accurate representation of near-axis fields requires finer mesh resolution to prevent under- and overshoots in current density from orbit inaccuracies. Yet, at a fixed particle count, increasing mesh resolution amplifies statistical noise in the deposited fields. An orbit-averaging method accumulates partial current deposits over multiple kinetic steps and reduces the statistical noise with little added computational cost. By coupling kinetic routines from KORC directly into the NIMROD codebase, these developments lay essential groundwork for future self-consistent KORC–NIMROD coupling.

Algorithms and data structure↗

Cooperative Charge Ordering Signature of Trimer Molecules in Infinite-Layer CaCoO 2

The infinite-layer compound CaCoO 2 provides a compelling platform to explore how local orbital distortions evolve into collective electronic order. Using resonant soft x-ray scattering (RSXS) and its time-resolved counterpart (tr-RSXS), we reveal a cooperative coupling between two intertwined orders at the same in-plane wave vector, 𝑞 ≈ (1/4, 1/4, 0), comprising a quasi-two-dimensional orbital order associated with the distorted Co (1) sites and a quasi-three-dimensional trimerlike charge order stabilized through Co-O-Ca hybridization. The charge-sensitive component exhibits a uniform relaxation time of ∼400 fs (391 ± 5 fs) across multiple Co resonances, evidencing a collective charge response. A comparable timescale observed in the orbital order associated with the highly distorted Co (1) sites indicates that this collective behavior naturally originates from the same orbital framework that mediates both charge and orbital degrees of freedom. Together, these findings establish CaCoO 2 as a model system in which Jahn-Teller distortions, orbital hybridization, and geometric frustration cooperate to form molecular trimer units that dictate the macroscopic electronic behavior.

Lee, J.-S. [SLAC National Accelerator Laboratory (↗

Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling

Abstract Translation of chirality and asymmetry across structural motifs and length scales plays a fundamental role in nature, enabling unique functionalities in contexts ranging from biological systems to synthetic materials. Here, we introduce a structural chirality transfer across the organic–inorganic interface in two-dimensional hybrid perovskites using appropriate chiral organic cations. The preferred molecular configuration of the chiral spacer cations, R -(+)- or S -(−)-1-(1-naphthyl)ethylammonium and their asymmetric hydrogen-bonding interactions with lead bromide-based layers cause symmetry-breaking helical distortions in the inorganic layers, otherwise absent when employing a racemic mixture of organic spacers. First-principles modeling predicts a substantial bulk Rashba-Dresselhaus spin-splitting in the inorganic-derived conduction band with opposite spin textures between R - and S -hybrids due to the broken inversion symmetry and strong spin-orbit coupling. The ability to break symmetry using chirality transfer from one structural unit to another provides a synthetic design paradigm for emergent properties, including Rashba-Dresselhaus spin-polarization for hybrid perovskite spintronics and related applications.

36 MATERIALS SCIENCE↗