SEARCH · Search NASA

Results for “atomic processes”

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.

SourceResearch connectionFrom yearThrough year

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

At least 1,009 records · Page 56

All sources NASA NTRS DOE OSTI

NASA NTRS1997

Data Base for CFD Validation

The flow behind the shock wave formed around objects which fly at hypervelocity behaves differently from that of a perfect gas. Molecules become vibrationally excited, dissociated, and ionized. The hot gas may emit or absorb radiation. When the atoms produced by dissociation reach the wall surface, chemical reactions, including recombination, may occur. The thermochemical phenomena of vibration, dissociation, ionization, surface chemical reaction, and radiation are referred to commonly as high-temperature real-gas phenomena. The phenomena cause changes in the dynamic behavior of the flow and the surface pressure and heat transfer distribution around the object. The character of a real gas is described by the internal degrees of freedom and state of constituent molecules; nitrogen and oxygen for air. The internal energy states, rotation, vibration and electronic, of the molecules are excited and, in the limit, the molecular bonds are exceeded and the gas dissociated into atomic and, possibly, ionic constituents. The process of energy transfer causing excitation, dissociation and recombination is a rate process controlled by particle collisions. Binary, two-body, collisions are sufficient to cause internal excitation, dissociation and ionization while three-body collisions are required to recombine the particles into molecular constituents. If the rates of energy transfer are fast with respect to the local fluid dynamic time scale the gas is in, or nearly in, equilibrium. If the energy transfer rates are very slow the gas can be described as frozen. In all other instances, wherein any of the energy exchange rates are comparable to the local fluid time scale, the gas will be thermally or chemically reacting and out of equilibrium. Real gas thermochemical nonequilibrium processes are important in the determination of aerodynamic heating; both convective (including wall catalytic effects) and radiative heating. To illustrate this we consider the hypervelocity flow over a bluff body typical of an atmospheric entry vehicle or an aerospace transfer vehicle (ASTV). The qualitative aspects of a hypersonic flow field over a bluff body are discussed in two parts, forebody and afterbody, with attention to which particular physical effects must be included in an analysis. This will indicate what type of numerical modeling will be adequate in each region of the flow. A bluff forebody flow field is dominated by the presence of the strong bow shock wave and the consequent heating, and chemical reaction of the gas. At high altitude hypersonic flight conditions the thermal excitation and chemical reaction of the gas occur slowly enough that a significant portion of the flow field is in a state of thermochemical nonequilibrium. A second important effect is the presence of the thick boundary layer along the forebody surface. In this region there are large thermal and chemical species gradients due to the interaction of the gas with the wall. Also at high altitudes the shock wave and the boundary layer may become so thick that they merge; in this case the entire shock layer is dominated by viscous effects.

Deiwert, George S.↗

NASA NTRS2003

Development of a Novel Discontinuously Reinforced Aluminum for Space Applications

The present results indicated that: Al-Sc-Mg-X alloys were selected to provide higher strength from -423 to 450F. SiC and B4C were chosen as reinforcements. Fine spherical powder of Al-Sc-Mg-X was produced using helium gas atomization. Matrix alloy and DRA were processed using vacuum hot processing and extrusion. DRA showed very high strength 100ksi at cryo, RT and hydrogen. Ductility was low. Matrix alloy exhibited high strength and ductility. LCF of matrix was higher than DRA in high strain range.

Pandey, Awadh↗

NASA NTRS1996

Mechanism of unassisted ion transport across membrane bilayers

To establish how charged species move from water to the nonpolar membrane interior and to determine the energetic and structural effects accompanying this process, we performed molecular dynamics simulations of the transport of Na+ and Cl- across a lipid bilayer located between two water lamellae. The total length of molecular dynamics trajectories generated for each ion was 10 ns. Our simulations demonstrate that permeation of ions into the membrane is accompanied by the formation of deep, asymmetric thinning defects in the bilayer, whereby polar lipid head groups and water penetrate the nonpolar membrane interior. Once the ion crosses the midplane of the bilayer the deformation "switches sides"; the initial defect slowly relaxes, and a defect forms in the outgoing side of the bilayer. As a result, the ion remains well solvated during the process; the total number of oxygen atoms from water and lipid head groups in the first solvation shell remains constant. A similar membrane deformation is formed when the ion is instantaneously inserted into the interior of the bilayer. The formation of defects considerably lowers the free energy barrier to transfer of the ion across the bilayer and, consequently, increases the permeabilities of the membrane to ions, compared to the rigid, planar structure, by approximately 14 orders of magnitude. Our results have implications for drug delivery using liposomes and peptide insertion into membranes.

NASA Discipline Exobiology↗

NASA NTRS1995

Atomic force microscope observations of otoconia in the newt

Calcitic and aragonitic otoconia from the Japanese red-bellied newt, Cynops pyrrhogaster, were examined using an atomic force microscope. The surface structure of both otoconial polymorphs consisted of arrays of elements approximately 50 nm in diameter. Elements were generally round and were separated by shallow depressions of no more than 20 nm. The elements are suggested to be single crystals of calcium carbonate. The relationship of these observations to theories of otoconial genesis is discussed.

NASA Discipline Developmental Biology↗

NASA NTRS2001

Software Package Completed for Alloy Design at the Atomic Level

As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and materials and surface science, the first version of a software package dedicated to the atomistic analysis of multicomponent systems was recently completed. Based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of alloy and surface energetics, this package includes modules devoted to the analysis of many essential features that characterize any given alloy or surface system, including (1) surface structure analysis, (2) surface segregation, (3) surface alloying, (4) bulk crystalline material properties and atomic defect structures, and (5) thermal processes that allow us to perform phase diagram calculations. All the modules of this Alloy Design Workbench 1.0 (ADW 1.0) are designed to run in PC and workstation environments, and their operation and performance are substantially linked to the needs of the user and the specific application.

Bozzolo, Guillermo H.↗

NASA NTRS2012

Chemical Mapping of Vesta and Ceres

Following successful science operations at Vesta, the Dawn spacecraft is headed for an encounter with Ceres in 2015. What have we learned at Vesta? And, what do we expect to learn by comparing Vesta and Ceres? We will address these questions from the standpoint of geochemistry. Dawn's Gamma Ray and Neutron Detector (GRaND) is sensitive to the elemental composition of surface materials to depths of a few decimeters [1]. Gamma rays and neutrons, produced by the steady bombardment of galactic cosmic rays and by the decay of naturally ]occurring radioisotopes (K, Th, U), provide a chemical fingerprint of the regolith. Analysis of planetary radiation emissions enables mapping of specific elements (such as Fe, Mg, Si, Cl, and H) and compositional parameters (such as average atomic mass), which provide information about processes that shaped the planet1s surface and interior. Dawn has exceeded operational goals for GRaND at Vesta, accumulating an abundance of nadir-pointed data during five months in a 210 km, low altitude mapping orbit around Vesta (265-km mean radius). Chemical information from gamma ray and neutron measurements was used to test the connection between Vesta and the howardite, eucrite, and diogenite (HED) meteorites [2]. Additionally, GRaND searched for evolved, igneous lithologies [3], mantle and upper crustal materials exposed in large impact basins, mesosiderite compositions, and hydrogen in Vesta1s bulk regolith. Results of our analyses and their implications for thermal evolution and regolith-processes will be presented. The possibility of a subcrustal ocean [4, 5] and lack of cerean meteorites makes water-rich Ceres a compelling target of exploration [6]. If Ceres underwent aqueous differentiation, then crustal overturn or gas driven volcanism may have significantly modified its primitive surface; and products of aqueous alteration (e.g. [7]) would detectable by GRaND [1]. For example, the presence of Cl in salts, associated with liquid-water-processes, would have a profound effect on the thermal neutron leakage flux. GRaND is sensitive to H and H-layering, which may be in the form of endogenic water ice or hydrous minerals on Ceres. Ammonia ice (e.g., from recent cryovolcanism) would produce a distinctly different neutron signature than water ice [1]. Prospective results for GRaND at Ceres will be presented in the context of what we have learned about Vesta.

Prettyman, Thomas H.↗

NASA NTRS2023

The Mid-Infrared Molecular Inventory Towards Orion IRc2

We present the first high spectral resolution mid-infrared survey in the Orion BN/KL region, covering 7.2 to 28.3μm. With SOFIA/EXES we target the enigmatic source Orion IRc2. While this is in the most prolifically studied massive star-forming region, longer wavelengths and molecular emission lines dominated previous spectral surveys. The mid-infrared observations in this work access different components and molecular species in unprecedented detail. We unambiguously identify two new kinematic components, both chemically rich with multiple molecular absorption lines. The “blue clump” has ν LSR = −7.1 ± 0.7 km s −1 and the “red clump” 1.4 ± 0.5 km s −1 . While the blue and red clump shave similar temperatures and line widths, molecular species in the blue clump have higher column densities. They are both likely linked to pure rotational H 2 emission also covered by this survey. This work provides evidence for the scenario that the blue and red clumps are distinct components unrelated to the classic components in the Orion BN/KL region. Comparison to spectroscopic surveys towards other infrared targets in the region show that the blue clump is clearly extended. We analyze, compare, and present in depth findings on the physical conditions of C 2 H 2 , 13 CCH 2 , CH 4 , CS, H 2 O, HCN, H 13 CN, HNC, NH 3 , and SO 2 absorption lines and an H 2 emission line associated with the blue and red clumps. We also provide limited analysis of H 2 O and SiO molecular emission lines towards Orion IRc2 and the atomic forbidden transitions [FeII], [SI], [SIII], and [NeII].

Atomic spectroscopy↗

NASA NTRS2022

The Long-stable Hard State of XTE J1752-223 and the Disk Truncation Dilemma

The degree to which the thin accretion disks of black hole X-ray binaries are truncated during hard spectral states remains a contentious open question in black hole astrophysics. During its singular observed outburst in 2009–2010, the black hole X-ray binary XTE J1752−223 spent ∼1 month in a long-stable hard spectral state at a luminosity of ∼0.02–0.1 L Edd . It was observed with 56 RXTE pointings during this period, with simultaneous Swift-XRT daily coverage during the first 10 days of the RXTE observations. While reflection modeling has been extensively explored in the analysis of these data, there is disagreement surrounding the geometry of the accretion disk and corona implied by the reflection features. We reexamine the combined, high signal-to-noise, simultaneous Swift and RXTE observations, and perform extensive reflection modeling with the latest relxill suite of reflection models, including newer high disk density models. We show that reflection modeling requires that the disk be within ∼5 R ISCO during the hard spectral state, while weaker constraints from the thermal disk emission imply higher truncation (Rin = 6–80 R ISCO ). We also explore more complex coronal continuum models, allowing for two Comptonization components instead of one, and show that the reflection features still require only a mildly truncated disk. Finally we present a full comparison of our results to previous constraints found from analyses of the same data set.

Accretion↗

DOE OSTI2019

The Evolution of DOE/Stakeholder Relationships at the Fernald Preserve, Ohio, Site - 19559

The Fernald Preserve, Ohio, Site is managed by the US Department of Energy (DOE) Office of Legacy Management. It is approximately 29 km (18 miles) northwest of Cincinnati, Ohio, on the site of a former uranium-processing plant established by the US Atomic Energy Commission in 1951. The production mission officially ended in 1991 when it was replaced by a remediation mission. Extensive environmental remediation was subsequently conducted under the Superfund program by the DOE Office of Environmental Management. After most of the remediation was concluded in 2006, the site was transferred to the DOE Office of Legacy Management, which continued comprehensive ecological restoration and is responsible for an ongoing aquifer remediation operation. The site was renamed the Fernald Preserve and opened to the public in 2008 as an undeveloped park, encompassing a diversity of natural habitats native to the area. The site now serves as a community asset, offering a Visitors Center with exhibits that tell the site story, hiking trails, wildlife observation opportunities, meeting spaces for community groups, educational program opportunities, and Interpretive Services personnel to engage the public. There was a long history of community mistrust about government operations at the site, beginning in the 1950's when land for the site was acquired by eminent domain, and continuing when contamination and hazardous waste management concerns were revealed in the 1980's. Resulting media coverage on possible contamination and cover-up concerns was extensive. In 1986, sitewide studies to determine the nature and extent of contamination and to consider cleanup options were instigated. In 1989, the site was placed on the National Priorities List of the Superfund program. Because of the longstanding mistrust held by many stakeholders, DOE faced a very serious challenge in achieving consensus among stakeholder groups about the cleanup levels, waste disposition, and the future uses of the site. Starting in the late 1980's, DOE, the regulators, site contractors and the community took a number of steps over many years to increase trust and achieve consensus among the many stakeholder groups. These steps included establishing a single cleanup mission, involving the community early and often as a critically important stakeholder, creating a citizens taskforce and community envoys, and providing extensive educational outreach. As a result, DOE, regulators, contractors, and community members moved from a position of very little trust to one of increased trust and collaboration among all concerned parties. The lessons learned from the Fernald site can be invaluable in the resolution of difficult environmental issues and should be considered as DOE seeks increased collaboration and consensus with stakeholders to solve other environmental remediation challenges. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Radioactive Waste Minimization - Clearance for Reuse, Recycling and Disposal - 19598

Virtually all activities related to radioactive materials and to the utilization of nuclear energy generate radioactive waste. Due to limited storage facilities and waning public acceptance for long-term disposal of radioactive waste as well as the associated cost, implementation of strategies and methods for its effective reduction are mandatory. Clearance of materials is one possible concept to reach this goal. The International Atomic Energy Agency (IAEA) defines the process of clearance as 'the removal of radioactive materials or radioactive objects within authorized practices from any further regulatory control by the regulatory body.' Thus, these materials are no further treated as radioactive waste and may be recycled or disposed of conventionally. In quantitative terms, clearance is generally related to the '10 μSv-Concept' This means that the effective dose expected to be incurred by any member of the public due to cleared materials is of the order of 10 μSv or less in a year. A combination of appropriate clearance concepts, methods and measurement techniques, following an integrated clearance strategy for a project, allows the return of up to 97 % of the mass of a decommissioned NPP to the conventional waste cycle. This includes the concept of clearance for a specific purpose, often referred to as 'conditional clearance', i.e. the case where a certain condition has to be fulfilled before the act of clearance has been completed. As a technical expert organization, TUV NORD EnSys accompanied the development, implementation and execution of clearance procedures in more than 13 nuclear power-plants and installations, either operational or in various states of decommissioning. Thus, TUV Nord EnSys has abundant experience in and a comprehensive overview on the implementation of different clearance strategies and procedures. Considering the increased waste-volumes and additional waste-streams to be handled during decommissioning, the transition to a decommission-focused clearance system is of vital importance for successful waste-minimization. This paper provides a view on the perspective of a technical support organisation (TSO) towards implementation of a holistic clearance strategy into the decommissioning concept for radioactive waste minimization. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

An Atom-Precise Approach to Damp First-Order Phase Transitions and Its Implications for Neuromorphic Signal Processing

Neuromorphic computing inspired by mammalian intelligence aims to emulate the nonlinear dynamics of biological neurons and synapses to achieve fast, low-energy, and highly efficient information processing. Brain-inspired computing relies on the design and discovery of materials exhibiting nonlinear current–voltage profiles, frequently underpinned by electronic state transitions, to achieve spiking neurons and dynamically tunable synapses. A signature challenge in the design of artificial neurons is controlling the steepness of first-order transitions in active elements, as abrupt transitions are at risk of driving unstable voltage and temperature oscillations, which result in catastrophic device failure. A critical knowledge gap is the lack of structure–function correlations mapping the composition and atomistic structure of crystalline solids to nonlinear dynamical response characteristics. Here, we address the key question of how modification of atomistic structure correlates with alteration of neuron-like functionality. Constructing oscillator circuits from millimeter-scale single crystals enables high-resolution atomic structure solutions, which we use to demonstrate that the selective positioning of Pb cations modifies charge ordering along a one-dimensional CuxV2O5 framework even at low insertion stoichiometries, thereby providing an atom-precise design parameter for damping first-order transitions. We use temperature-variant X-ray diffraction and X-ray spectroscopy to elucidate the suppression of Cu-ion shuttling based on the precise positioning of Pb ions in seven-coordinated tunnel interstitial sites as the mechanistic basis for transition broadening, thus bridging a critical gap between statistical mechanics and quantum chemical descriptions of phase transitions. Such mechanistic understanding thus paves the way to site-selective modification strategies for modulating the sharpness of first-order transitions, with an exemplary demonstration here in tuning neuronal signal processing.

Crystal structure↗

NASA NTRS1986

Some design constraints required for the assembly of software components: The incorporation of atomic abstract types into generically structured abstract types

It is nearly axiomatic, that to take the greatest advantage of the useful features available in a development system, and to avoid the negative interactions of those features, requires the exercise of a design methodology which constrains their use. A major design support feature of the Ada language is abstraction: for data, functions processes, resources, and system elements in general. Atomic abstract types can be created in packages defining those private types and all of the overloaded operators, functions, and hidden data required for their use in an application. Generically structured abstract types can be created in generic packages defining those structured private types, as buildups from the user-defined data types which are input as parameters. A study is made of the design constraints required for software incorporating either atomic or generically structured abstract types, if the integration of software components based on them is to be subsequently performed. The impact of these techniques on the reusability of software and the creation of project-specific software support environments is also discussed.

Johnson, Charles S.↗

DOE OSTI2024

Achieving the 1D Atomic Chain Limit in Van der Waals Crystals

Experiments with graphene have demonstrated that 2D van der Waals materials can be stable, robust, and efficiently manipulated at the level of individual atomic planes. However, the stability and manipulation of 1D van der Waals materials and individual atomic chains remains elusive. Here, in this work, the ability to exfoliate and process two representative van der Waals materials containing 1D motifs, namely MoI 3 and Ta 2 Se 8 I, at the scale of individual atomic chains is demonstrated. High‐resolution transmission electron microscopy and atomic force microscopy studies confirm the presence of stable individual atomic chains of MoI 3 at room temperature. It is further shown that 1D van der Waals materials with low exfoliation energy, such as Ta 2 Se 8 I, can be processed with electron beams to achieve suspended individual atomic chains. Ab initio calculations corroborate the findings regarding the cleavage energies and the thermodynamic stability of individual atomic chains in these 1D van der Waals materials. These results demonstrate that the top‐down approach in material processing can be extended to the scale of individual chains.

1D materials↗

NASA NTRS2010

A Comparison of Oxidized Carbon Abundances among Comets

Comets contain relatively well preserved icy material remaining from the epoch of Solar System formation, however the extent to which these ices are modified from their initial state remains a fundamental question in cometary science. As a comet approaches the Sun, sublimation of the ices contained in its nucleus (termed " native ices") releases parent volatiles into the coma, where they can be measured spectroscopically. One means of assessing the degree to which interstellar ices were processed prior to their incorporation into cometary nuclei is to measure the relative abundances of chemically-related parent volatiles. For example, formation of C2H6 by hydrogen atom addition (e.g., to C2H2) on surfaces of ice-mantled grains was proposed to explain the high C2H6 to CH4 abundance observed in C/1996 B2 (Hyakutake) [1]. The large C2H6/CH4 abundance ratios measured universally in comets, compared with those predicted by gas phase production of C2H6, establishes H-atom addition as an important and likely ubiquitous process. CO should also be hydrogenated on grain surfaces. Laboratory irradiation experiments on interstellar ice analogs indicate this to require very low temperatures (T approx. 10-25 K), the resulting yields of H2CO and CH3OH being highly dependent both on hydrogen density (i.e., fluence) and on temperature ([2],[3]). This relatively narrow range in temperature reflects a lack of mobility below 8-10 K on the one hand, and reduced sticking times for H-atoms as grain surfaces are warmed above 20 K on the other. The relative abundances of these three chemically-related molecules in comets provides one measure of the efficiency of H-atom addition to CO on pre-cometary grains (Fig. 1).

DiSanti, M. A.↗

NASA NTRS2004

Application of Simulated Annealing and Related Algorithms to TWTA Design

Simulated Annealing (SA) is a stochastic optimization algorithm used to search for global minima in complex design surfaces where exhaustive searches are not computationally feasible. The algorithm is derived by simulating the annealing process, whereby a solid is heated to a liquid state and then cooled slowly to reach thermodynamic equilibrium at each temperature. The idea is that atoms in the solid continually bond and re-bond at various quantum energy levels, and with sufficient cooling time they will rearrange at the minimum energy state to form a perfect crystal. The distribution of energy levels is given by the Boltzmann distribution: as temperature drops, the probability of the presence of high-energy bonds decreases. In searching for an optimal design, local minima and discontinuities are often present in a design surface. SA presents a distinct advantage over other optimization algorithms in its ability to escape from these local minima. Just as high-energy atomic configurations are visited in the actual annealing process in order to eventually reach the minimum energy state, in SA highly non-optimal configurations are visited in order to find otherwise inaccessible global minima. The SA algorithm produces a Markov chain of points in the design space at each temperature, with a monotonically decreasing temperature. A random point is started upon, and the objective function is evaluated at that point. A stochastic perturbation is then made to the parameters of the point to arrive at a proposed new point in the design space, at which the objection function is evaluated as well. If the change in objective function values (Delta)E is negative, the proposed new point is accepted. If (Delta)E is positive, the proposed new point is accepted according to the Metropolis criterion: rho((Delta)f) = exp((-Delta)E/T), where T is the temperature for the current Markov chain. The process then repeats for the remainder of the Markov chain, after which the temperature is decremented and the process repeats. Eventually (and hopefully), a near-globally optimal solution is attained as T approaches zero. Several exciting variants of SA have recently emerged, including Discrete-State Simulated Annealing (DSSA) and Simulated Tempering (ST). The DSSA algorithm takes the thermodynamic analogy one step further by categorizing objective function evaluations into discrete states. In doing so, many of the case-specific problems associated with fine-tuning the SA algorithm can be avoided; for example, theoretical approximations for the initial and final temperature can be derived independently of the case. In this manner, DSSA provides a scheme that is more robust with respect to widely differing design surfaces. ST differs from SA in that the temperature T becomes an additional random variable in the optimization. The system is also kept in equilibrium as the temperature changes, as opposed to the system being driven out of equilibrium as temperature changes in SA. ST is designed to overcome obstacles in design surfaces where numerous local minima are separated by high barriers. These algorithms are incorporated into the optimal design of the traveling-wave tube amplifier (TWTA). The area under scrutiny is the collector, in which it would be ideal to use negative potential to decelerate the spent electron beam to zero kinetic energy just as it reaches the collector surface. In reality this is not plausible due to a number of physical limitations, including repulsion and differing levels of kinetic energy among individual electrons. Instead, the collector is designed with multiple stages depressed below ground potential. The design of this multiple-stage collector is the optimization problem of interest. One remaining problem in SA and DSSA is the difficulty in determining when equilibrium has been reached so that the current Markov chain can be terminated. It has been suggested in recent literature that simulating the thermodynamic properties opecific heat, entropy, and internal energy from the Boltzmann distribution can provide good indicators of having reached equilibrium at a certain temperature. These properties are tested for their efficacy and implemented in SA and DSSA code with respect to TWTA collector optimization.

Radke, Eric M.↗

DOE OSTI2026

Mode Multiplexing for Scalable Cavity-Enhanced Operations in Neutral-Atom Arrays

Neutral-atom arrays provide a versatile platform for quantum information processing. However, in large-scale arrays, efficient photon collection remains a bottleneck for key tasks such as fast, nondestructive qubit readout and remote entanglement distribution. We propose a cavity-based approach that enables fast, parallel operations over many atoms using multiple modes of a single optical cavity. By selectively shifting the relevant atomic transitions, each atom can be coupled to a distinct cavity mode, allowing independent simultaneous processing. We present practical system designs that support cavity-mode multiplexing with up to 50 modes, enabling rapid mid-circuit syndrome extraction and significantly enhancing entanglement distribution rates between remote atom arrays. This approach offers a scalable solution to core challenges in neutral-atom arrays, advancing the development of practical quantum technologies.

Aqua, Ziv [Massachusetts Institute of Technology (↗

DOE OSTI2024

Understanding atom probe’s analytical performance for iron oxides using correlation histograms and ab initio calculations

Abstract Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (10 10 Vm −1 ), makes them prone to dissociation with or without an exchange of energy amongst them. These processes can affect the analytical performance of atom probe tomography (APT). For instance, neutral molecules formed through dissociation may not be detected at all or with a time of flight no longer related to their mass, causing their loss from the analysis. Here, we evaluated the changes in the measured composition of FeO, Fe 2 O 3 and Fe 3 O 4 across a wide range of analysis conditions. Possible dissociation reactions are predicted by density-functional theory calculations considering the spin states of the molecules. The energetically favoured reactions are traced on to the multi-hit ion correlation histograms, to confirm their existence within experiments, using an automated Python-based routine. The detected reactions are carefully analyzed to reflect upon the influence of these neutrals from dissociation reactions on the performance of APT for analysing iron oxides.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2019

Coboson many-body formalism for atom–dimer scattering length

We use the composite boson (coboson) many-body formalism to tackle scattering lengths for cold fermionic atoms. We show that bound dimers can be taken as elementary entities provided that fermion exchanges between them are treated exactly, as can be done through the coboson formalism. This alternative tool extended to cold atom physics not only makes transparent many-body processes through Shiva diagrams specific to cobosons, but also simplifies calculations. Indeed, the integral equation we derive for the atom–dimer scattering length and solve by restricting the dimer relative motion to the ground state, gives values in remarkable agreement with the exact scattering length values for all fermion mass ratios. This remarkable agreement also holds true for the dimer–dimer scattering length, except for equal fermion masses where our restricted procedure gives a value slightly larger than the accepted one (0.64a d instead of 0.60a d ). All this proves that the scattering of a cold-atom dimer with an atom or another dimer is essentially controlled by the dimer relative-motion ground state, a physical result not obvious at first.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗