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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Edge-Confined Excitons in Monolayer Black Phosphorus

Quantum confinement of two-dimensional excitons in van der Waals materials via electrostatic trapping, lithographic patterning, Moiré potentials, and chemical implantation has enabled significant advances in tailoring light emission from nanostructures. While such approaches rely on complex preparation of materials, natural edges are a ubiquitous feature in layered materials and provide a different approach for investigating quantum-confined excitons. Here, we observe that certain edge sites of monolayer black phosphorus (BP) strongly localize the intrinsic quasi-one-dimensional excitons, yielding sharp spectral lines in photoluminescence, with nearly an order of magnitude line width reduction. Through structural characterization of BP edges using transmission electron microscopy and first-principles GW plus Bethe–Salpeter equation (GW-BSE) calculations of exemplary BP nanoribbons, we find that certain atomic reconstructions can strongly quantum-confine excitons resulting in distinct emission features, mediated by local strain and screening. Here we observe linearly polarized luminescence emission from edge reconstructions that preserve the mirror symmetry of the parent BP lattice, in agreement with calculations. Furthermore, we demonstrate efficient electrical switching of localized edge excitonic luminescence, whose sites act as excitonic transistors for emission. Localized emission from BP edges motivates exploration of nanoribbons and quantum dots as hosts for tunable narrowband light generation, with future potential to create atomic-like structures for quantum information processing applications as well as exploration of exotic phases that may reside in atomic edge structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Induced magnetic ordering in alloyed compounds based on Pauli paramagnet YCo{sub 2}

Intermetallic YCo{sub 2} compound is a Pauli exchange-enhanced paramagnet. Structural and magnetic properties melt-spun YCo{sub 2} pure and alloyed with Nb or Ti are presented. The samples crystallize in MgCu{sub 2}-type phase with lattice constant a changing from 7.223 Å for YCo{sub 2}, through 7.213 Å for Y{sub 0.9}Nb{sub 0.1}Co{sub 2} to 7.192 Å for Y{sub 0.9}Ti{sub 0.1}Co{sub 2}, where Y atoms are replaced by Nb or Ti atoms. Nanocrystalline phases can be produced by appropriate cooling rates for the solidification process. By the synthesis process free volumes, vacancies, and alloyed atoms are introduced into the YCo{sub 2} intermetallic. Ab-initio calculations have been performed to investigate the effects of substitution on the spin-split electronic band structure in the ordered YCo{sub 2}. A ferrimagnetic ground state is found in the alloyed systems with substitution on the Y-site which is energetically favorable compared to point defects on Co-sites. However, the experimentally found increased magnetic ordering in alloyed YCo{sub 2} appears to be based on microstructure effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties

Metal cations are essential in many vital processes. In order to capture the role of different cations in all-atom molecular dynamics simulations of biological processes, an accurate parametrization is crucial. Here, we develop force field parameters for the metal cations Li + , Na + , K + , Cs + , Mg 2+ , Ca 2+ , Sr 2+ , and Ba 2+ in combination with the TIP3P water model that is frequently used in biomolecular simulations. In progressing toward improved force fields, the approach presented here is an extension of previous efforts and allows us to simultaneously reproduce thermodynamic and kinetic properties of aqueous solutions. We systematically derive the parameters of the 12-6 Lennard-Jones potential which accurately reproduces the experimental solvation free energy, the activity derivative, and the characteristics of water exchange from the first hydration shell of the metal cations. In order to reproduce all experimental properties, a modification of the Lorentz-Berthelot combination rule is required for Mg 2+ . As a result, using a balanced set of solution properties, the optimized force field parameters aim to capture the fine differences between distinct metal cations including specific ion binding affinities and the kinetics of cation binding to biologically important anionic groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Updated evaluation of potential ultralow Q -value β -decay candidates

“Ultralow” Q-value β decays are referred to as such due to their low decay energies of less than ≈1 keV. Such a low energy decay is possible when the parent nucleus decays to an excited state in the daughter, with an energy close to that of the Q value. These decays are of interest as potential new candidates for neutrino mass determination experiments and as a testing ground for studies of atomic interference effects in the nuclear decay process. In this paper, we provide an updated evaluation of atomic mass data and nuclear energy-level data to identify potential ultralow Q-value β decay candidates. For many of these candidates, more precise and accurate atomic mass data is needed to determine if the Q value of the potential ultralow decay branch is energetically allowed and in fact ultralow. Furthermore, the relevant precise atomic mass measurements can be achieved via Penning trap mass spectrometry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Exotic nuclei in astrophysics

Recently the academic community has marked several anniversaries connected with discoveries that played a significant role in the development of astrophysical investigations. The year 2009 was proclaimed by the United Nations the International Year of Astronomy. This was associated with the 400th anniversary of Galileo Galilei’s discovery of the optical telescope, which marked the beginning of regular research in the field of astronomy. An important contribution to not only the development of physics of the microcosm, but also to the understanding of processes occurring in the Universe, was the discovery of the atomic nucleus made by E. Rutherford 100 years ago. Since then the investigations in the fields of physics of particles and atomic nuclei have helped to understand many processes in the microcosm. Exactly 80 years ago, K. Yanski used a radio-telescope in order to receive the radiation from cosmic objects for the first time, and at the present time this research area of physics is the most efficient method for studying the properties of the Universe. Finally, the April 12, 1961 (50 years ago) launching of the first sputnik into space with a human being onboard, the Russian cosmonaut Yuri Gagarin, marked the beginning of exploration of the Universe with the direct participation of man. All these achievements considerably extended our ideas about the Universe. This work is an attempt to present some problems on the evolution of the Universe: the nucleosynthesis and cosmochronology from the standpoint of physics of particles and nuclei, in particular with the use of the latest results, obtained by means of radioactive nuclear beams. The comparison is made between the processes taking place in the Universe and the mechanisms of formation and decay of nuclei, as well as of their interaction at different energies. Examples are given to show the capabilities of nuclear-physics methods for studying cosmic objects and properties of the Universe. The results of investigations in nuclear reactions, induced by radioactive nuclear beams, make it possible to analyze the nucleosynthesis scenario in the region of light elements in a new manner.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Atomic-scale combination of germanium-zinc nanofibers for structural and electrochemical evolution

Alloy materials have been emerged to achieve compatible properties in various applications. The structural manipulation, however, requires sensitive and complicated synthetic process. Herein, we report atomic-scale combination of germanium-zinc distorted alloy exhibiting uncertain eutectic point in a phase diagram can imply a great potential to form atomically collaborated array via a simple fabrication method. When interconnected together, it prevents a fatal sublimation of germanium/germanium oxide during gas-solid phase reduction reaction and allows outstanding electronic conductivity as well as high available capacity in lithium-ion batteries, leading to structural and electrochemical evolution of germanium/zinc distorted array. Further, the unique features are clearly confirmed through in situ analysis. Besides, as-prepared battery anodes remarkably highlights outstanding rate capabilities (capacity retention of ~50% at 20 C compared to 0.2 C-rate) and cycle retention (73% at 3.0 C-rate) with a capacity of 546 mAh g -1 even after 1000 cycles. Even when assembled in a full cell, it notably facilitates considerable energy density during 400 cycles with 99.4% of average coulombic efficiency, which is suitable for a large-scale energy storage system.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Oxygen-storage behavior and local structure in Ti-substituted YMnO{sub 3}

Hexagonal manganates RMnO{sub 3} (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn{sub 1−x}Ti{sub x})O{sub 3} solid solutions exhibit facile oxygen absorption/desorption via reversible Ti{sup 3+}↔Ti{sup 4+} and Mn{sup 3+}↔Mn{sup 4+} reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn{sup 3+}{sub 1−x-y}Mn{sup 4+}{sub y}Ti{sup 4+}{sub x}O{sub 3+δ}. The presence of Ti promotes the oxidation of Mn{sup 3+} to Mn{sup 4+}, which is almost negligible for YMnO{sub 3} in air, thereby increasing the uptake of oxygen beyond that required for a given Ti{sup 4+} concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO{sub 5}] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO{sub 3} structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO{sub 5}] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti{sup 4+}(and Mn{sup 4+}) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of significant amounts of oxygen with atmosphere. - Graphical abstract: Concurrent redox reactions involving Ti and Mn yield facile absorption/desorption of excess oxygen. - Highlights: • Concurrent redox reactions involving Ti and Mn yield oxygen absorption/desorption. • Excess oxygen is accommodated as interstitials via correlated atomic shifts. • Oxygen breathing is facilitated by the under-bonding of host Mn and O atoms.

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

Adsorption of a single Pt atom on graphene: spin crossing between physisorbed triplet and chemisorbed singlet states

Diffusion Monte Carlo (DMC) calculations have been performed to study the adsorption of a single Pt atom on pristine graphene. In this work, we obtain the adsorption energy curves of a single Pt atom adsorbed at three different adsorption sites (bridge, on-top, hollow) as functions of the vertical distance from a graphene surface for both spin singlet and triplet states. The bridge-site adsorption in a singlet spin state is found to be energetically most stable, which is consistent with previous theoretical predictions. As the Pt atom moves away from a graphene surface, spin triplet states are favored over spin singlet states for all three adsorption sites, reflecting that the ground state of an isolated Pt atom is in a spin triplet state. Furthermore, our DMC calculations reveal local-minimum features in the triplet region which is understood to be due to van der Waals interaction between the Pt atom and graphene. This provides a comprehensive understanding for a spin crossing from a physisorbed triplet state to a chemisorbed singlet state in the adsorption process of a single Pt atom on graphene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Atomic-level studies of the depletion in reactive sites during clay mineral dissolution

Environmental weathering is typically viewed as a macroscopic phenomenon that is based on a number of competing atomic- or molecular-level processes. One important process is the release of metal or metalloid elements into solution at the water-rock interface. To both explain and predict environmental weathering, the atomic-level “reactive sites” on the surfaces of minerals must be characterized and quantified. Whether these sites are atomic in nature, represented by a chemical bond, or comprise a more complex assemblage of covalently or ionically linked atoms or molecules, the kinetic rate of atomic release (dissolution) depends on the available reactive surface. For one important class of materials, clay minerals, their reactive surface areas are a challenge to quantify as it is well recognized that there are two distinct types of surfaces: edge sites and basal planes1-3. Clay dissolution rates continuously decrease over time as reactive edge sites are preferentially depleted4. Changes in reactive surface area and the difficulties in quantifying this elusive variable have often been cited as one key reason for the complexity in developing accurate rate equations3,5,6. In this work, we demonstrate a solid-state nuclear magnetic resonance (SSNMR) method for counting the number of reactive surface sites on a defined quantity of a clay mineral. Using this SSNMR proxy7-9, changes in reactive surface area were monitored for a series of batch dissolution experiments of low-defect kaolinite KGa-1b at 21 ºC and pH 3 over the course of 80 days. While no changes (within error) were observed for specific surface area (as determined from BET gas isotherm data), the SSNMR proxy revealed decreases in the number of reactive surface sites per gram of kaolinite as a function of dissolution time. This observation can be tied to a concomitant decrease in the rates of release of Si and Al into solution. These results further highlight the need to account for changes in reactive surface area when developing and using dissolution rate models for clay minerals and other heterogeneous materials in the environment.

58 GEOSCIENCES↗
DOE OSTI2016

Niagara Falls Storage Site - Interim Waste Containment Structure - 16199

The Niagara Falls Storage Site (NFSS) is a 77.3-hectare (ha) (191-acre) property that is owned by the United States Government and located in the township of Lewiston, Niagara County, New York. The NFSS is part of the former Lake Ontario Ordnance Works (LOOW) that was used by the War Department beginning in 1942 for the production of trinitrotoluene (TNT). During the 1940's and 1950's, the Manhattan Engineer District and the Atomic Energy Commission brought various radioactive wastes and uranium processing byproducts (residues) resulting from our nation's atomic energy program to the LOOW for storage. Site operations caused soil, sediment, and groundwater contamination that lead to several remedial actions, which culminated in the construction of the Interim Waste Containment Structure (IWCS) on the NFSS. The U.S. Army Corps of Engineers (USACE)-Buffalo District is the lead Federal agency for Formerly Utilized Sites Remedial Action Program (FUSRAP) remediation of the NFSS. As the lead agency, USACE is conducting a remedial investigation/feasibility study (RI/FS) pursuant to the protocols set forth in the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA). CERCLA activities at the NFSS have transitioned from the site RI activities to the FS evaluation of potential remediation alternatives. USACE recognizes the need to implement a focused CERCLA FS process and, therefore, has established three separate operable units (OUs) for NFSS: the IWCS OU, the Balance of Plant (BOP) OU [i.e., all on-site areas outside the boundary of the IWCS], and the Groundwater OU. This paper will discuss the following: - Provide background information on the NFSS including the nature of the materials within the IWCS. - Explain the steps of the CERCLA and associated processes the Formerly Utilized Sites Remedial Action Program (FUSRAP) employs. - Describe the OUs for the NFSS property and the subunit designations used in the FS evaluations for the IWCS OU. - Provide the current project status within the CERCLA framework and path forward for all OUs and Vicinity Properties (VPs). Identify the Applicable or Relevant and Appropriate Requirements (ARARs) preferred by USACE and the regulatory agencies and explain the differences between the two positions. - Provide the comparative evaluation of the remedial alternatives assessed in the FS. - Identify the justifications for the USACE - Buffalo District selecting the preferred remedial alternative within the Proposed Plan. The remedial action objectives for the IWCS OU are designed to provide short- and long-term protection of human health and the environment. CERCLA requires that any action taken be protective of human health and the environment as well as be compliant with identified ARARs. USACE evaluated 'No Action' and four potential remedial alternatives for the IWCS OU that ranged from leaving all of the wastes in-place and installing a final cover to partial and full removal of the contents. The four alternatives met the remedial action objectives defined identified for the IWCS OU. In accordance with the statutory requirements of CERCLA Section 121, remedial alternatives must comply with two threshold criteria, overall protection of human health and the environment and compliance with ARARs, in order to be carried forward for further evaluation. If a remedial alternative meets the threshold criteria, it is evaluated against the following five balancing criteria: - Long-term effectiveness and permanence; - Reduction in toxicity, mobility, or volume through treatment; - Short-term effectiveness; - Implementability; and, - Cost. The Feasibility Study evaluation led to the preferred remedial alternative selection and this will be the focus of this paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Niagara Falls Storage Site - Balance of plant investigation results - 15432

The Niagara Falls Storage Site (NFSS) is a 77.3-hectare (ha) (191-acre) property that is owned by the United States Government and located in the township of Lewiston, Niagara County, New York. The NFSS is part of the former Lake Ontario Ordnance Works (LOOW) that was used by the War Department beginning in 1942 for the production of trinitrotoluene (TNT). During the 1940's and 1950's, the Manhattan Engineer District and the Atomic Energy Commission brought various radioactive wastes and uranium processing byproducts (residues) resulting from our nation's atomic energy program to the LOOW for storage. Site operations caused soil, sediment, and groundwater contamination that lead to several remedial actions, which culminated in the construction of the Interim Waste Containment Structure (IWCS) on the NFSS. The U. S. Army Corps of Engineers (USACE)-Buffalo District is the lead Federal agency for Formerly Utilized Sites Remedial Action Program (FUSRAP) remediation of the NFSS. As the lead agency, USACE is conducting a remedial investigation/feasibility study (RI/FS) pursuant to the protocols set forth in the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA). CERCLA activities at the NFSS have transitioned from the site RI activities to the FS evaluation of potential remediation alternatives. USACE recognizes the need to implement a focused CERCLA FS process and, therefore, has established three separate operable units (OUs) for NFSS: the IWCS OU, the Balance of Plant (BOP) OU [i.e., all on-site areas outside the boundary of the IWCS], and the Groundwater OU. This paper details recent investigations into the underground utilities, groundwater/soil contamination, and past storage of contaminated material on the Balance of Plant Operable Unit of the NFSS. Recent fieldwork activities have investigated areas of elevated groundwater contamination as well as an investigation to determine/eliminate any preferential pathway that historical underground utilities may have provided on-site in these areas. Additional areas of investigation included strategic placement of groundwater wells at locations of historic residue storage piles and intersections of various underground utilities (based on aerial photography and geophysical surveys). Several hundred locations across the site were investigated with a gamma walk-over survey, boring, surveying and sampling of soil-cores to aide in the delineation of soil contamination throughout the Balance of Plant Operable Unit. The series of investigations indicated multiple operational areas still have impacts above background conditions, risk-based concentrations, and promulgated maximum contaminant levels for multiple media in the Balance of Plant Operable Unit. The soil, groundwater, sediment, and utility sampling data show that 1) radionuclide impacts derived from ore-residue handling operations still exist, 2) impacts from other inorganic and organic compound exist in TNT manufacturing and support areas, and 3) contaminant transport from past source areas is minimal. The full compendium of site history and recent sampling data provides a well-defined conceptual site model that provides the necessary input data to prepare volumetric soil estimates for the Balance of Plant Operable Unit Feasibility Study. The scale of the NFSS and complexity of prior operations provide many remedial challenges. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Real Time Monitoring of the Dynamic Intracluster Diffusion of Single Gold Atoms into Silver Nanoclusters

Alloying metal materials with heterometal atoms is an efficient way to diversify the function of materials, but in-depth understanding of the dynamic heterometallic diffusion inside the alloying materials is rather limited, especially at the atomic level. Here, we report the real-time monitoring of the dynamic diffusion process of a single gold (Au) atom into an atomically precise silver nanocluster (Ag NC), Ag 25 (MHA) 18 (MHA = 6-mercaptohexanoic acid), by using in situ UV–vis absorption spectroscopy in combination with mass and tandem mass spectrometry. We found that the Au heteroatom first replaces the Ag atom at the surface Ag 2 (MHA) 3 motifs of Ag 25 (MHA) 18 . After that, the Au atom diffuses into the surface layer of the icosahedral Ag 13 kernel and finally occupies the center of the alloy NCs to form the thermodynamically stable [email protected] 24 (MHA) 18 product. Density functional theory (DFT) calculations reveal that the key thermodynamic driving force is the preference of the Au heteroatom for the central site of alloy NCs. Furthermore, the real-time monitoring approach developed in this study could also be extended to other metal alloy systems to reveal the reaction dynamics of intracluster diffusion of heteroatoms, as well as the formation mechanisms of metal alloy nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films

Progress has recently been made in developing reactive force fields to describe chemical reactions in systems too large for quantum mechanical (QM) methods. In particular, ReaxFF, a force field with parameters that are obtained solely from fitting QM reaction data, has been used to predict structures and properties of many materials. Important applications require, however, determination of the final structures produced by such complex processes as chemical vapor deposition, atomic layer deposition, and formation of ceramic films by pyrolysis of polymers. This requires the force field to properly describe the formation of other products of the process, in addition to yielding the final structure of the material. We describe a strategy for accomplishing this and present an example of its use for forming amorphous SiC films that have a wide variety of applications. Extensive reactive molecular dynamics (MD) simulations have been carried out to simulate the pyrolysis of hydridopolycarbosilane. The reaction products all agree with the experimental data. After removing the reaction products, the system is cooled down to room temperature at which it produces amorphous SiC film, for which the computed radial distribution function, x-ray diffraction pattern, and the equation of state describing the three main SiC polytypes agree with the data and with the QM calculations. Extensive MD simulations have also been carried out to compute other structural properties, as well the effective diffusivities of light gases in the amorphous SiC film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Ion-Neutral Collisions in the Interstellar Medium: Wave Damping and Elimination of Collisionless Processes

Most phases of the interstellar medium contain neutral atoms in addition to ions and electrons. This introduces differences in plasma physics processes in those media relative to the solar corona and the solar wind at a heliocentric distance of 1 astronomical unit. In this paper, we consider two well-diagnosed, partially-ionized interstellar plasmas. The first is the Warm Ionized Medium (WIM) which is probably the most extensive phase in terms of volume. The second is the gas of the Local Clouds of the Very Local Interstellar Medium (VLISM). Ion-neutral interactions seem to be important in both media. In the WIM, ion-neutral collisions are relatively rare, but sufficiently frequent to damp magnetohydrodynamic (MHD) waves (as well as propagating MHD eddies) within less than a parsec of the site of generation. This result raises interesting questions about the sources of turbulence in the WIM. In the case of the VLISM, the ion-neutral collision frequency is higher than that in the WIM, because the hydrogen is partially neutral rather than fully ionized. We present results showing that prominent features of coronal and solar wind turbulence seem to be absent in VLISM turbulence. For example, ion temperature does not depend on ion mass. This difference may be due to ion-neutral collisions, which distribute power from more effectively heated massive ions such as iron to other ion species and neutral atoms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Transfer of a weakly bound electron in collisions of Rydberg atoms with neutral particles. I. Long-range interaction effects in the ionic-covalent coupling

Ion-pair formation processes are studied in collisions of Rydberg atoms with neutral particles possessing small electron affinities. Nonadiabatic transitions from a Rydberg covalent term to an ionic term of a quasi-molecule are considered using the modified Landau-Zener theory supplemented with calculation of survival factors of an anion decaying in the Coulomb field of a positive ion core. Using the technique of irreducible tensor operators and the momentum representation of the wavefunction of a highly excited atom, exact expressions are obtained for transition matrix elements and the ionic-covalent coupling parameter. The approach developed in the paper provides the description beyond the scope of a conventional assumption about a small variation of the wavefunction of the Rydberg atom on the range of electron coordinates determined by the characteristic radius of the wavefunction of the anion. This allows one to correctly consider long-range effects of the interaction between a weakly bound electron and the neutral core of a negative ion in processes under study. It is shown by the example of thermal collisions of Xe(nf) atoms with CH{sub 3}CN molecules that this is very important for a reliable quantitative description of anion formation with a low binding energy. The results are compared with experiments and calculations performed within the framework of a number of approximate methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

The Contribution of the Atomic Excitation and Recollision Effect during Tunneling Ionization on the Transition Rate

We used the Dykhne formalism to develop an analytical model for correlated simultaneous ionization excitation process of two-electron helium-like atoms in a strong laser field, and then analyzed the contribution of recollision effect on transition rate in a linearly polarized laser field. Also, we briefly discussed recollision effect in a circularly and linearly polarized laser field. We were interested to examine how atomic excitation and recollision affect the transition rate because observations indicated the significance of both processes on the tunneling ionization of atoms in a linearly polarized laser radiation. We showed that, under the conditions considered here, the aforementioned effects play an important role and, therefore, must be taken into account in the case of a linear polarization, while the recollision effect do not affect the rate in a circular polarization.

74 ATOMIC AND MOLECULAR PHYSICS↗