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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Rotational dynamics of a diatomic molecular ion in a Paul trap

We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical and the other where the center-of-mass motion is treated classically, while rotational motion is quantized. We study the rotational dynamics and their influence on the motion of the center-of-mass, in the presence of the coupling between the permanent dipole moment of the ion and the trapping electric field. We show that the presence of the permanent dipole moment affects the trajectory of the ion and that it departs from the Mathieu equation solution found for atomic ions. For the case of quantum rotations, we also evidence the effect of the above-mentioned coupling on the rotational states of the ion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Dissipative dust-acoustic shock waves in a varying charge electronegative magnetized dusty plasma with trapped electrons

The combined effects of an oblique magnetic field and electron trapping on dissipative dust-acoustic waves are examined in varying charge electronegative dusty plasmas with application to the Halley Comet plasma (∼10{sup 4} km from the nucleus). A weakly nonlinear analysis is carried out to derive a modified Korteweg-de Vries-Burger-like equation. Making use of the equilibrium current balance equation, the physically admissible values of the electron trapping parameter are first constrained. We then show that the Burger dissipative term is solely due to the dust charge variation process. It is found that an increase of the magnetic field obliqueness or a decrease of its magnitude renders the shock structure more dispersive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Feasibility study of quantum computing using trapped electrons

In this study, we investigate the feasibility of using electrons in a linear Paul trap as qubits in a future quantum computer. We discuss the necessary experimental steps to realize such a device through a concrete design proposal, including trapping, cooling, electronic detection, spin readout, and single- and multiqubit gate operations. Numeric simulations indicate that two-qubit Bell-state fidelities of order 99.99% can be achieved assuming reasonable experimental parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Rapid cooling of the in-plane motion of two-dimensional ion crystals in a Penning trap to millikelvin temperatures

Here, we propose a highly feasible technique with no experimental overhead to rapidly cool the in-plane degrees of freedom of large two-dimensional ion crystals in Penning traps. Through simulations, we demonstrate that our approach enables the in-plane modes to cool down to a temperature of around 1 mK in less than 10 ms. Our technique relies on near-resonant coupling of the poorly cooled in-plane motions and the efficiently cooled out-of-plane motions, and is achieved without introducing additional potentials. The rapid cooling enabled by our approach is in contrast to typical operating conditions, where our simulations of the laser cooling dynamics suggest that the ion crystal's in-plane motion cools very slowly on a timescale of several hundreds of milliseconds, a rate likely slower than experimental heating rates. Our work sets the stage for sub-Doppler laser cooling of the planar motion, and more robust and versatile quantum simulation and quantum sensing experiments with two-dimensional crystals in Penning traps.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

On a new scenario for the saturation of the low-threshold two-plasmon parametric decay instability of an extraordinary wave in the inhomogeneous plasma of magnetic traps

The most probable scenario for the saturation of the low-threshold two-plasmon parametric decay instability of an electron cyclotron extraordinary wave has been analyzed. Within this scenario two upperhybrid plasmons at frequencies close to half the pump wave frequency radially trapped in the vicinity of the local maximum of the plasma density profile are excited due to the excitation of primary instability. The primary instability saturation results from the decays of the daughter upper-hybrid waves into secondary upperhybrid waves that are also radially trapped in the vicinity of the local maximum of the plasma density profile and ion Bernstein waves.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

MAGNETIC GRAIN TRAPPING AND THE HOT EXCESSES AROUND EARLY-TYPE STARS

A significant fraction of main sequence stars observed interferometrically in the near-infrared have slightly extended components that have been attributed to very hot dust. To match the spectrum appears to require the presence of large numbers of very small (<200 nm in radius) dust grains. However, particularly for the hotter stars, it has been unclear how such grains can be retained close to the star against radiation pressure force. We find that the expected weak stellar magnetic fields are sufficient to trap nm-sized dust grains in epicyclic orbits for a few weeks or longer, sufficient to account for the hot excess emission. Our models provide a natural explanation for the requirement that the hot excess dust grains be smaller than 200 nm. They also suggest that magnetic trapping is more effective for rapidly rotating stars, consistent with the average vsini measurements of stars with hot excesses being larger (at ∼2σ) than those for stars without such excesses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Experimental analysis of spatial correlation effects on capillary trapping of supercritical CO 2 at the intermediate laboratory scale in heterogeneous porous media

Several numerical studies have demonstrated that the heterogeneous nature of typical sedimentary formations can favorably dampen the accumulation of mobile CO 2 phase underneath the caprock. Core flooding experiments have also shown that contrasts in capillary entry pressure can lead to buildup of nonwetting fluid phase (NWP) at interfaces between facies. Explicit representation of geological heterogeneity at the intermediate (cm-to-m) scale is a powerful approach to identify the key mechanisms that control multiphase flow dynamics in porous media. The ability to carefully control flow regime and permeability contrast at a scale that is relevant to CO 2 plume dynamics in saline formations offers valuable information to understand immiscible displacement processes and provides a benchmark for mathematical models. To provide insight into the impact of capillary heterogeneity on flow dynamics and trapping efficiency of supercritical CO 2 under successive drainage and imbibition conditions, we present an experimental investigation conducted in a synthetic sand reservoir. By mimicking the interplay of governing forces at reservoir conditions via application of surrogate fluids, we performed three immiscible displacement experiments to observe the entrapment of NWP in heterogeneous porous media. Capillary trapping performance is evaluated for each scenario through spatial and temporal variations of NWP saturation; for this reason we adopted X-ray attenuation to precisely measure phase saturation throughout the flow domain and apply spatial moment analysis. Furthermore, the sweeping performance of two different permeability fields with comparable variance but distinct spatial correlation was compared against a homogeneous base case with equivalent mean permeability by means of spatial moment analysis.

58 GEOSCIENCES↗
DOE OSTI2016

Imaging and quantification of spreading and trapping of carbon dioxide in saline aquifers using meter-scale laboratory experiments

The role of capillary forces during buoyant migration of CO 2 is critical toward plume immobilization within the postinjection phase of a geological carbon sequestration operation. However, the inherent heterogeneity of the subsurface makes it very challenging to evaluate the effects of capillary forces on the storage capacity of these formations and to assess in situ plume evolution. To overcome the lack of accurate and continuous observations at the field scale and to mimic vertical migration and entrapment of realistic CO 2 plumes in the presence of a background hydraulic gradient, we conducted two unique long-term experiments in a 2.44 m × 0.5 m tank. X-ray attenuation allowed measuring the evolution of a CO 2 -surrogate fluid saturation, thus providing direct insight into capillarity-dominated and buoyancy-dominated flow processes occurring under successive drainage and imbibition conditions. The comparison of saturation distributions between two experimental campaigns suggests that layered-type heterogeneity plays an important role on nonwetting phase (NWP) migration and trapping, because it leads to (i) longer displacement times (3.6 months versus 24 days) to reach stable trapping conditions, (ii) limited vertical migration of the plume (with center of mass at 39% versus 55% of aquifer thickness), and (iii) immobilization of a larger fraction of injected NWP mass (67.2% versus 51.5% of injected volume) as compared to the homogenous scenario. Finally, while these observations confirm once more the role of geological heterogeneity in controlling buoyant flows in the subsurface, they also highlight the importance of characterizing it at scales that are below seismic resolution (1–10 m).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Increased Voltage in CdSe Solar Cells by Mitigation of Charge Carrier Trapping Due to Se Vacancies

Cadmium selenide (CdSe), with a 1.7 eV bandgap, is a promising high-bandgap semiconductor for tandem solar cells, yet device efficiencies are hindered by rapid minority carrier recombination. Here, in this study, polycrystalline CdSe solar cells are investigated using radiative emission spectroscopy, time-resolved photoluminescence, and density functional theory, revealing fast (sub-nanosecond) minority carrier trapping by selenium vacancy-related defect states with densities of (5–50) × 10 17 cm −3 , limiting carrier mobility and increasing recombination. By reducing absorber thickness to ≈0.5 µm, trapping effects are mitigated, achieving a record open-circuit voltage of 917 mV, a 165 mV improvement over prior reports. These findings clarify the role of Se vacancies in limiting CdSe solar cell performance and provide insights applicable to CdSe and CdSeTe thin-film photovoltaics. This work advances understanding of defect-mediated losses in II–VI semiconductors and suggests pathways for improving solar cell performance through defect control.

14 SOLAR ENERGY↗
DOE OSTI2021

Two-Dimensional Polycyclic Photovoltaic Molecule with Low Trap Density for High-Performance Photocatalytic Hydrogen Evolution

Typical organic semiconductors show a high trap density of states (10 16 –10 18 cm -3 ), providing a large number of centers for charge-carrier recombination, thus hindering the development of photocatalytic hydrogen evolution. In this report we design and synthesize a two-dimensional polycyclic photovoltaic material, named as TPP, to reduce the trap density to as low as 2.3×10 15 cm -3 , which is 1–3 orders of magnitude lower than those of typical organic semiconductors. Moreover, TPP exhibits a broad and strong absorption, ordered molecular packing with a large crystalline coherence length and enhanced electron mobility. Then, the bulk heterojunction nanoparticles (BHJ-NPs) based on a blend of polymer donor (PM6) and TPP exhibit an average hydrogen evolution rate (HER) of 64.31 mmol h -1 g -1 under AM1.5G sunlight (100,mW cm -2 ), and 72.75 mmol h -1 g -1 under 330–1100 nm illumination (198 mW cm -2 ) higher than that of the control NPs based on typical PM6 : Y6 (62.67 mmol h -1 g -1 ).

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

SNAPSHOT USA 2020: A second coordinated national camera trap survey of the United States during the COVID-19 pandemic

Managing wildlife populations in the face of global change requires regular data on the abundance and distribution of wild animals, but acquiring these over appropriate spatial scales in a sustainable way has proven challenging. Here, in this study, we present the data from Snapshot USA 2020, a second annual national mammal survey of the USA. This project involved 152 scientists setting camera traps in a standardized protocol at 1485 locations across 103 arrays in 43 states for a total of 52,710 trap-nights of survey effort. Most (58) of these arrays were also sampled during the same months (September and October) in 2019, providing a direct comparison of animal populations in 2 years that includes data from both during and before the COVID-19 pandemic. All data were managed by the eMammal system, with all species identifications checked by at least two reviewers. In total, we recorded 117,415 detections of 78 species of wild mammals, 9236 detections of at least 43 species of birds, 15,851 detections of six domestic animals and 23,825 detections of humans or their vehicles. Spatial differences across arrays explained more variation in the relative abundance than temporal variation across years for all 38 species modeled, although there are examples of significant site-level differences among years for many species. Temporal results show how species allocate their time and can be used to study species interactions, including between humans and wildlife. These data provide a snapshot of the mammal community of the USA for 2020 and will be useful for exploring the drivers of spatial and temporal changes in relative abundance and distribution, and the impacts of species interactions on daily activity patterns. There are no copyright restrictions, and please cite this paper when using these data, or a subset of these data, for publication.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Effects of Multicomponent Hydrocarbon Feed on Hydrocarbon Adsorption–Desorption and Oxidation Light-Off Behavior on a Pd/BEA Hydrocarbon Trap

A model hydrocarbon trap material consisting of palladium promoted zeolite beta on a monolith core was studied with a multicomponent hydrocarbon feed. Dodecane and ethylene adsorption, followed by temperature programmed oxidation (TPO), was used in the presence of CO in wet and dry conditions to study the impact of various species on hydrocarbon storage, oxidation, and desorption. Low temperature adsorption experiments were used to quantify hydrocarbon storage capacity, while temperature programmed desorption (TPD) and TPO studies were used to investigate both oxidation and desorption of the various hydrocarbon species. Here, the low temperature adsorption experiments suggest a moderate impact of water on dodecane uptake as dry experiments adsorbed more dodecane overall than those under wet conditions. Additionally, the presence of CO and ethylene also impaired dodecane uptake. TPD studies indicated a coupled relationship between hydrocarbon oxidation light-off and desorption. By varying the composition of the feed, specifically via the inclusion of CO or ethylene, dodecane oxidation light-off was delayed, which actually increased the overall hydrocarbon trap efficiency.

42 ENGINEERING↗
DOE OSTI2018

Elements of Dynamics of a One-Dimensional Trapped Bose–Einstein Condensate Excited by a Time-Dependent Dimple: A Lagrangian Variational Approach

We examine the dynamics of a one-dimensional harmonically trapped Bose–Einstein condensate (BEC), induced by the addition of a dimple trap whose depth oscillates with time. For this purpose, the Lagrangian variational method (LVM) is applied to provide the required analytical equations. The goal is to provide an analytical explanation for the quasiperiodic oscillations of the BEC size at resonance, that is additional to the one given by Adhikari (J Phys B At Mol Opt Phys 36:1109, 2003). It is shown that LVM is able to reproduce instabilities in the dynamics along the same lines outlined by Lellouch et al. (Phys Rev X 7:021015, 2017). Moreover, it is found that at resonance the energy dynamics display ordered oscillations, whereas at off-resonance they tend to be chaotic. Further, by using the Poincare–Lindstedt method to solve the LVM equation of motion, the resulting solution is able to reproduce the quasiperiodic oscillations of the BEC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Direct Analysis of Organic Compounds in Liquid Using a Miniature Photoionization Ion Trap Mass Spectrometer with Pulsed Carrier-Gas Capillary Inlet

A miniature ion trap mass spectrometer with capillary direct sampling and vacuum ultraviolet photoionization source was developed to conduct trace analysis of organic compounds in liquids. Self-aspiration sampling is available where the samples are drawn into the vacuum chamber through a capillary with an extremely low flow rate (less than 1 μL/min), which minimizes sample consumption in each analysis to tens of micrograms. A pulsed gas-assisted inlet was designed and optimized to promote sample transmission in the tube and facilitate the cooling of ions, thereby improving instrument sensitivity. A limit of detection of 2 ppb could be achieved for 2,4-dimethylaniline in a methanol solution. The sampling system described in the present study is specifically suitable for a miniature photoionization ion trap mass spectrometer that can perform rapid and online analysis for liquid samples. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Determination of Collision Cross Sections Using a Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometer

Collision cross sections (CCSs) were determined from the frequency-domain linewidths in a Fourier transform electrostatic linear ion trap. With use of an ultrahigh-vacuum precision leak valve and nitrogen gas, transients were recorded as the background pressure in the mass analyzer chamber was varied between 4× 10{sup -8} and 7 × 10{sup -7} Torr. The energetic hard-sphere ion–neutral collision model, described by Xu and coworkers, was used to relate the recorded image charge to the CCS of the molecule. In lieu of our monoisotopically isolating the mass of interest, the known relative isotopic abundances were programmed into the Lorentzian fitting algorithm such that the linewidth was extracted from a sum of Lorentzians. Although this works only if the isotopic distribution is known a priori, it prevents ion loss, preserves the high signal-to-noise ratio, and minimizes the experimental error on our homebuilt instrument. Six tetraalkylammonium cations were used to correlate the CCS measured in the electrostatic linear ion trap with that measured by drift-tube ion mobility spectrometry, for which there was an excellent correlation (R{sup 2} ≈ 0.9999). Although the absolute CCSs derived with our method differ from those reported, the extracted linear correlation can be used to correct the raw CCS. With use of [angiotensin II]{sup 2+} and reserpine, the corrected CCSs (334.9 ± 2.1 and 250.1 ± 0.5, respectively) were in good agreement with the reported ion mobility spectrometry CCSs (335 and 254.3, respectively). With sufficient signal-to-noise ratio, the CCSs determined are reproducible to within a fraction of a percent, comparable to the uncertainties reported on dedicated ion mobility instruments. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Design and Application of a High-Temperature Linear Ion Trap Reactor

A high-temperature linear ion trap reactor with hexapole design was homemade to study ion–molecule reactions at variable temperatures. The highest temperature for the trapped ions is up to 773 K, which is much higher than those in available reports. The reaction between V{sub 2}O{sub 6}{sup −} cluster anions and CO at different temperatures was investigated to evaluate the performance of this reactor. The apparent activation energy was determined to be 0.10 ± 0.02 eV, which is consistent with the barrier of 0.12 eV calculated by density functional theory. This indicates that the current experimental apparatus is prospective to study ion–molecule reactions at variable temperatures, and more kinetic details can be obtained to have a better understanding of chemical reactions that have overall barriers. .

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

Chemical Mass Shifts in a Digital Linear Ion Trap as Analytical Identity of o-, m-, and p-Xylene

Chemical mass shifts between isomeric ions of o-, m-, and p-xylene were measured using a digital linear ion trap, and the directions and values of the shifts were found to be correlated to the collision cross sections of the isomers. Both forward and reverse scans were used and the chemical shifts for each pair of isomers in scans of opposite directions were in opposite signs. Using different voltage settings (namely the voltage dividing ratio-VDR) of the ion trap allows adding high order field components in the quadrupole field and results in larger chemical mass shifts. The differential chemical mass shift which combined the shifts from forward and reverse scans doubled the amount of chemical shift, e.g., 0.077 Th between o- and p-xylene, enough for identification of the type of isomer without using an additional ion mobility spectrometer. The feature of equal and opposite chemical mass shifts also allowed to null out the chemical mass shift by calculating the mean m/z value between the two opposite scans and remove or reduce the mass error caused by chemical mass shift. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Stimulated Motion Suppression (STMS): a New Approach to Break the Resolution Barrier for Ion Trap Mass Spectrometry

Ion trap is an excellent platform to perform tandem mass spectrometry (MS/MS), but has an intrinsic drawback in resolving power. Using ion resonant ejection as an example, the resolution degradation can be largely attributed to the broadening of the resonant frequency band (RFB) between ion motion and driving alternative-current (AC). To solve this problem, stimulated motion suppression (STMS) was developed. The key idea of STMS is the use of two suppression alternative-current (SAC) signals, which both have reversed initial phases to the main AC. The SACs can block the unexpected sideband ion resonances (or ejections), therefore playing a key role in sharpening the RFB. The proof-of-concept has been demonstrated through ion trajectory simulations and validated experimentally. STMS provides a new and versatile means for the improvement of the ion trap resolution, which for a long time has reached the bottleneck through conventional methods, e.g., increasing the radio-frequency (RF) voltage and decreasing the mass scan rate. At the end, it is worth noting that the idea of STMS is very general and principally can be applied in any RF device for the purposes of high-resolution mass analysis and ion isolation. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗