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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantum simulation of conical intersections using trapped ions

Conical intersections often control the reaction products of photochemical processes and occur when two electronic potential energy surfaces intersect. Theory predicts that the conical intersection will result in a geometric phase for a wavepacket on the ground potential energy surface, and although conical intersections have been observed experimentally, the geometric phase has not been directly observed in a molecular system. Herein we use a trapped atomic ion system to perform a quantum simulation of a conical intersection. The ion’s internal state serves as the electronic state, and the motion of the atomic nuclei is encoded into the motion of the ions. The simulated electronic potential is constructed by applying state-dependent optical forces to the ion. We experimentally observe a clear manifestation of the geometric phase using adiabatic state preparation followed by motional state measurement. Our experiment shows the advantage of combining spin and motion degrees for quantum simulation of chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Comparison between Liouville's theorem and observed latitudinal distributions of trapped ions in the plasmapause region

The presence of anisotropic plasma distributions, trapped at the Earth's magnetic equator, has consequences for the electric field structure which must exist in equilibrium along the magnetic field line. Data from SCATHA and Dynamics Explorer 1 indicate that the core ion distributions at the magnetic equator can be well described as bi-Maxwellian distributions, with a perpendicular temperature an order of magnitude larger than the parallel temperature. A collisionless model is developed for the variation in plasma parameters, following the forms developed by Whipple (1977). If the core electron anisotropy is low, the resulting electric field of approximately 0.1 microV/m is pointed away from the equator. Under these conditions the self-consistent electric field will not overcome the effects of magnetic trapping. The resulting potential distribution results in a local maximum in total plasma density at the equator. Only when the electron distribution is primarily field-aligned can there be a density minimum at the equator. Comparisons are made between this model and the observed variations in DE 1 plasma parameters with latitude.

Olsen, R. C.↗
DOE OSTI2020

Ambient Ion Trapping and Separations for High Throughput Structurally Selective Material Deposition

While ion mobility coupled to mass spectrometry (IMS/MS) has been increasingly adapted to biological analysis, the structural and molecular specificity offered by IMS/MS has untapped potential for creating novel materials (for energy, catalysis, biomolecular switches etc.) with rationally tailored properties by precisely controlling the chemical structure and composition of these materials. While electrochemical and catalytic properties of the bulk material are understood by mass-selective ion-soft-landing, different structures of one molecule can exhibit distinct properties from the bulk. Many biological phenomenon occur at interfaces and are highly structurally specific. IMS/MS offers means to separate molecules in a sample (which is first ionized and released to gas phase from the condensed phase) based on mass and structure. Species thus separated can potentially be deposited onto surfaces with molecular and structural specificity, to perform fundamental investigations for understanding critical interfacial phenomenon. Key performance metrics for IMS/MS analysis are resolution of separations and sensitivity. Recently developed Structures for Lossless Ion Manipulations (SLIM)4 enabled unprecedented resolution in IMS separations. In addition, high sensitivity was enabled in SLIM due to lossless confinement of ions using radio frequency fields. Thus, SLIM enabled extremely long path length separations (up to 0.1 km thus far) providing efficient separation of molecular ions never before achieved (e.g. isotopologues, D&L amino acids). While SLIM has unprecedented analytical separations power/utility, the use of SLIM platform for depositing mobility and mass selected molecular ions has two specific technological challenges: (a) Pulsed nature of IMS separations and their low duty cycle and (b) the need for a low vacuum of ~4 torr for lossless ion confinement. These limitations lead to long deposition times due to loss of ions generated from the sample. Enabling ion confinement at atmospheric pressure will be path-breaking contribution to the fundamental understanding of ion manipulations and separations and will also enable novel science currently precluded due to the inability of the present technologies to confine ions under ambient conditions. Traditionally used radio frequency fields are ineffective in confining ions at high pressures due to ion/neutral collisions. To address these, we propose to (a) develop methods for confining and manipulating ions for lossless IMS separations at atmospheric pressure enabling high sensitivity and throughput and (b) use the high specificity of IMS/MS and high throughput from ambient ion confinement to perform mobility and mass selective ion deposition at atmospheric pressure. Our goal is to enable the study of the fundamental properties of energy/catalysis materials and biomolecules. This project paves the way for high-throughput, mass and structure selective material deposition for highly specific surface creation/functionalization (discussed in Section 2 of the report). Further, the developments reported continue to push the boundaries of this process to ambient conditions (discussed in Section 3 of the report). We conclude with a list of specific intellectual property and publications which have been the outcome of this funded project.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Para-particle oscillator simulations on a trapped-ion quantum computer

Deformed oscillators allow for a generalization of the standard fermions and bosons, namely, for the description of para-particles. Such particles remain hypothetical and unobserved in nature; yet, they can model physical phenomena, such as topological phases of matter. Here, we report the digital quantum simulation of para-particle oscillators by mapping para-particle states to the state of a qubit register, which allows us to identify the para-particle oscillator Hamiltonian as an XY model and further digitize the system onto a universal set of gates. In both instances, the gate depth grows polynomially with the number of qubits used. To establish the validity of our results, we experimentally simulate the dynamics of para-fermions and para-bosons, demonstrating full control of para-particle oscillators on a quantum computer. Furthermore, we compare the overall performance of the digital simulation of dynamics of the driven para-Fermi oscillator to a recent analog quantum simulation result.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

Planar ion trap (retarding potential analyzer) experiment for atmosphere explorer

The retarding potential analyzer and drift meter were carried aboard all three Atmosphere Explorer spacecraft. These instruments measure the total thermal ion concentration and temperature, the bulk thermal ion velocity vector and some limited properties of the relative abundance of H(+), He(+), O(+) and molecular ions. These instruments functioned with no internal failures on all the spacecraft. On AE-E there existed some evidence for external surface contamination that damaged the integrity of the RPA sweep grids. This led to some difficulties in data reduction and interpretation that did not prove to be a disastrous problem. The AE-D spacecraft functioned for only a few months before it re-entered. During this time the satellite suffered from a nutation about the spin axis of about + or - 2 deg. This 2 deg modulation was superimposed upon the ion drift meter horizontal ion arrival angle output requiring the employment of filtering techniques to retrieve the real data.

Hanson, W. B.↗
DOE OSTI2021

Mimicking associative learning using an ion-trapping non-volatile synaptic organic electrochemical transistor

Associative learning, a critical learning principle to improve an individual’s adaptability, has been emulated by few organic electrochemical devices. However, complicated bias schemes, high write voltages, as well as process irreversibility hinder the further development of associative learning circuits. Here, by adopting a poly(3,4-ethylenedioxythiophene):tosylate/Polytetrahydrofuran composite as the active channel, we present a non-volatile organic electrochemical transistor that shows a write bias less than 0.8 V and retention time longer than 200 min without decoupling the write and read operations. By incorporating a pressure sensor and a photoresistor, a neuromorphic circuit is demonstrated with the ability to associate two physical inputs (light and pressure) instead of normally demonstrated electrical inputs in other associative learning circuits. To unravel the non-volatility of this material, ultraviolet-visible-near-infrared spectroscopy, X-ray photoelectron spectroscopy and grazing-incidence wide-angle X-ray scattering are used to characterize the oxidation level variation, compositional change, and the structural modulation of the poly(3,4-ethylenedioxythiophene):tosylate/Polytetrahydrofuran films in various conductance states. The implementation of the associative learning circuit as well as the understanding of the non-volatile material represent critical advances for organic electrochemical devices in neuromorphic applications.

42 ENGINEERING↗
DOE OSTI2026

Digital quantum magnetism on a trapped-ion quantum computer

Digital quantum matter—realized when discrete quantum gates approximate continuous time evolution—is susceptible to heating into chaotic, structureless states. If digitization errors are adequately suppressed, a long-lived transient regime of approximately energy-conserving dynamics can be observed on gate-based quantum computers. Conservation of energy, in turn, enables the exploration of a wide variety of complex behaviours observed in equilibrium systems, ranging from the non-trivial microscopic origins of thermalization itself to the stabilization of effective models hosting exotic emergent properties. Here we use Quantinuum’s H2 quantum computer to simulate digitized dynamics of the quantum Ising model, suppressing digitization errors well enough to observe thermalization on timescales that severely challenge classical simulation methods. Relaxation of an inhomogeneous state reveals an emergent hydrodynamics owing to approximate energy conservation and we compute the associated diffusion constant. By reprogramming our simulations to take place on a triangular lattice with periodic boundary conditions, we observe thermalization consistent with emergent gauge and topological constraints resulting from lattice frustration. Furthermore, our results were enabled by continued advances in two-qubit gate quality (native partial entangler fidelities of 99.94(1)%) and establish digital quantum computers as powerful tools for studying (effectively) continuous-time dynamics.

Information theory and computation↗