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Relevant bibliographies by topics / Free atoms

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Academic literature on the topic 'Free atoms'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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Journal articles on the topic "Free atoms"

1

Kidd, R. Garth. "On the combustion heat originating in spin angular momentum that validates the chemical force theory of bonding." Canadian Journal of Chemistry 94, no. 8 (August 2016): 704–11. http://dx.doi.org/10.1139/cjc-2016-0102.

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Heat generated in combustion reactions, when converted into a vectored force, provides the dynamics for thermodynamics. By combining enthalpy data measured calorimetrically with atomization enthalpies coming out of molecular spectroscopy, it is shown here that the heat liberated during typical hydrocarbon combustion is but the last 25% of the bond-forming potential energy with which free atoms are endowed. In short-lived free atoms, this potential energy is manifest as spin angular momentum. This study introduces a new per-atom theory of chemical bonding based on the chemical force law. Codified in this law is the fact that the intramolecule attractive force exerted by an atom upon its bonded neighbor is directly proportional to the free atom’s spin angular momentum and inversely proportional to the atom’s bonded radius. In the context of the other four fundamental forces maintaining structural integrity in material systems, the chemical force is a lot stronger than the gravitational force, stronger than the van der Waals force, weaker than the electromagnetic force, and a lot weaker than the nuclear strong force. Spin–orbit coupling in the heaviest transition metal atoms enhances the strength of the chemical force. The chemical force law successfully models per-atom chemical bond strengths throughout the periodic table. It also shows that a horizontal Newtonian force F = m(a) originates in atomic spin angular momentum.

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Miroshnychenko, Yevhen. "From Single Atoms to Engineered “Super-Atoms”: Interfacing Photons and Atoms in Free Space." Advances in Optics 2014 (October 8, 2014): 1–28. http://dx.doi.org/10.1155/2014/572084.

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During the last decades the development of laser cooling and trapping has revolutionized the field of quantum optics. Now we master techniques to control the quantum properties of atoms and light, even at a single atom and single photon level. Understanding and controlling interactions of atoms and light both on the microscopic single particle and on the macroscopic collective levels, are two of the very active directions of the current research in this field. The goal is to engineer quantum systems with tailored properties designed for specific applications. One of the ambitious applications on this way is interfacing quantum information for quantum communication and quantum computing. We summarize here theoretical ideas and experimental methods for interfacing atom-based quantum memories with single flying photons.

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Wang, Yu, Shijie Chai, Mingjie Xin, Wui Seng Leong, Zilong Chen, and Shau-Yu Lan. "Loading Dynamics of Cold Atoms into a Hollow-Core Photonic Crystal Fiber." Fibers 8, no. 5 (May 1, 2020): 28. http://dx.doi.org/10.3390/fib8050028.

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Cold atoms trapped and guided in hollow-core photonic crystal fibers provide a scalable diffraction-free setting for atom–light interactions for quantum technologies. However, due to the mismatch of the depth and spatial extension of the trapping potential from free space to the fiber, the number of cold atoms in the fiber is mainly determined by the loading process from free space to waveguide confinement. Here, we provide a numerical study of the loading dynamics of cold atoms into a hollow-core photonic crystal fiber. We use the Monte Carlo method to simulate the trajectories of an ensemble of cold atoms from free space trapping potential to optical potential inside a hollow-core fiber and calculate the temperature, loading efficiency, and geometry of the ensemble. We also study the noise sources that cause heating and a loss of atoms during the process. Our result could be used to design and optimize the loading process of cold atoms into a hollow-core fiber for cold atom experiments.

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Sonntag, B. F. "Synchrotron Radiation and Free Atoms." Physica Scripta T34 (January 1, 1991): 93–99. http://dx.doi.org/10.1088/0031-8949/1991/t34/012.

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Samson, James A. R., Z. X. He, W. Stolte, and J. N. Cutler. "Multiple photoionization of free atoms." Journal of Electron Spectroscopy and Related Phenomena 78 (May 1996): 19–24. http://dx.doi.org/10.1016/s0368-2048(96)80019-3.

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DEVI, REENA, and RANJAN KUMAR. "STRUCTURE AND STABILITY OF ENDOHEDRAL Cn@C60." Modern Physics Letters B 24, no. 12 (May 20, 2010): 1255–66. http://dx.doi.org/10.1142/s0217984910023190.

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We report ab initio molecular dynamics simulations of carbon clusters in free space and inside C 60 using SIESTA. We have studied the stability and geometries of small carbon clusters consisting of 2–12 carbon atoms inside the C 60 molecule and in free space by optimizing the atomic geometries. We have found that the C – C bond length is in agreement with the 1.40 and 1.45 values reported earlier. We find that the clusters inside the C 60 are more stable than clusters in free space. Binding energy per carbon atom initially increases with number of carbon atoms in the cluster and then decreases after maximizing for the 9-atom cluster. For more than 9 carbon atoms in the cluster inside C 60, C atoms of the cluster start forming bond with the C 60 cage and the C 60 structure gets distorted. We have done calculations for charge transfer and chemical reactivity. The calculations of ionization potential and electron affinity show that clusters in free space are less reactive compared with C n@ C 60. Charge transfer calculations show that the bond formation of C atoms with the C 60 cage is accompanied with a transfer of charge from carbon cluster to C 60.

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Hernandez-Herrejon, Julio Cesar, and Rodrigo Chavez-Alcazar. "Magnetic properties of free-standing finite linear Co chains." Revista Mexicana de Física 64, no. 5 (August 31, 2018): 483. http://dx.doi.org/10.31349/revmexfis.64.483.

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The ground state magnetic properties of Co_N linear atomic chains with 1 ≤ N ≤ 10 are studied within density functional theory using the generalized gradient approximation . A linear scaling between the binding energy per atom and the inverse of the number of atoms in the chain is found. For the optimized geometries, our results show a dimerization effect for chains of few atoms but for bigger ones the phenomena disappear in the center but remains at the ends due to finite size effects. The spin moment, the orbital moment and the magnetic anisotropy energy were investigated. For large chains, the orbital and spin moments have a tendency to become uniform. Enhanced spin and orbital moments were found due to the reduced coordination number compared to the cobalt in bulk. The cobalt chain of five atoms has the biggest magnetic anisotropy energy with an outstanding 8 meV, suggesting that it could have applications in ultrahigh density magnetic memories and hard disk.

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Sandner, W., and M. Völkel. "Auger Line Shapes of Free Atoms." Physical Review Letters 62, no. 8 (February 20, 1989): 885–88. http://dx.doi.org/10.1103/physrevlett.62.885.

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Beige, Almut, Daniel Braun, and Peter L. Knight. "Driving atoms into decoherence-free states." New Journal of Physics 2 (September 12, 2000): 22. http://dx.doi.org/10.1088/1367-2630/2/1/322.

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Hippler, Rainer. "Two-photon bremsstrahlung of free atoms." Physical Review Letters 66, no. 17 (April 29, 1991): 2197–99. http://dx.doi.org/10.1103/physrevlett.66.2197.

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Dissertations / Theses on the topic "Free atoms"

1

Tackmann, Gunnar [Verfasser]. "Raman interferometry with free-falling and trapped atoms / Gunnar Tackmann." Hannover : Technische Informationsbibliothek und Universitätsbibliothek Hannover (TIB), 2013. http://d-nb.info/1049229541/34.

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Chai, Jeng-Da. "Orbital-free density functional theory of atoms, molecules, and solids." College Park, Md. : University of Maryland, 2005. http://hdl.handle.net/1903/3125.

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Thesis (Ph. D.) -- University of Maryland, College Park, 2005.
Thesis research directed by: Chemical Physics. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.

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Lees, Eitan Jacob. "Suppression of Collective Quantum Jumps of Rydberg Atoms due to Collective Spontaneous Emission from Atoms in Free Space." Miami University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=miami1438276591.

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Persaud, Michael Alan. "Doppler-free two-photon spectroscopy of one electron atoms using pulsed lasers." Thesis, University of Southampton, 1991. https://eprints.soton.ac.uk/361600/.

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In two independent experiments, frequency doubled pulse amplified dye laser light has been used in performing Doppler-free two-photon spectroscopy of the 1S½−2S½ transition in atomic hydrogen and muonium. Absolute values gained for the 1S½−2S½ transition frequencies were 2466 061 416(9) MHz and 2455 528 964(72) MHz for hydrogen and muonium respectively. Values for the ground state Lamb shifts were inferred to be 8171(9) MHz for hydrogen and 8079(73) MHz for muonium. All results were found to be in agreement with current quantum electrodynamic (QED) theory. Assuming QED theory to be accurate, then the hydrogen experiment yielded a new value for the Rydberg constant of 109 737 31.58(4) m−1, which is in agreement with other independent measurements. A separate experiment demonstrated a novel and general technique for efficiently frequency doubling mode-locked laser light, based on second harmonic generation inside an actively stabilised external ring enhancement cavity. When applied to a synchronously pumped mode-locked dye laser, over 100mW average power of tunable light around 243nm was available from the system corresponding to crystal conversion efficiencies in excess of 55%. A simple theoretical model successfully described the performance of this system. FM sideband frequency stabilisation of mode-locked lasers is treated both theoretically and experimentally. For the mode-locked dye laser, a frequency stability to within 500kHz relative to a reference interferometer was routinely possible. The frequency stabilised tunable uv light is ideal for performing Doppler-free coherent multiple pulse spectroscopy and may find application in the synchronous pumping of optical parametric oscillators or in selectively breaking chemical bonds.

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Livesey, John Gregor. "Atom guiding in free-space light beams and photonic crystal fibres." Thesis, St Andrews, 2007. http://hdl.handle.net/10023/356.

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Wickenbrock, A. "Cold atoms in light fields : from free space optical lattices to multimode optical cavities." Thesis, University College London (University of London), 2012. http://discovery.ucl.ac.uk/1349525/.

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The electromagnetic mode density of the vacuum can be dramatically modified by the presence of an optical resonator. In the strong coupling regime, spontaneous emission in a cavity becomes a reversible process and the intracavity photon number undergoes Rabi oscillations. We load up to 200x10^3 ^133Cs atoms into a nearly confocal lossy cavity and reach the collective strong coupling regime. Normal mode splitting, the hallmark of this regime, is observed and cooperativities up to C_coll = (186±5) are measured. In a second experiment we investigate for the first time the multi-mode character of the coupled cavity-atom system. In a confocal cavity the higher-order transverse cavity modes are degenerate in frequency and accessible to the spontaneous emission of the atomic ensemble. We observe an increase of the coupling constant measured via modal decomposed transmission analysis, which could be attributed to the presence of the higher-order modes. Normal mode splitting proportional to the square root of the atom number was visible for all of the different mode components. Furthermore, we observe a redistribution of the relative weights in the modal transmission composition, which scales with the atom number in the cavity mode. In a second set of experiments, ^87Rb atoms were loaded into a dissipative lin ⊥ lin lattice. By driving the lattice with a biharmonic force, transport can be observed when the systems symmetries are broken: the so called ratchet effect. Research in this area is concerned with the appearance of current reversals. We were able to identify dissipation related symmetry breaking as the underlying cause of an observed current reversal, which occurs as a function of the driving frequency. Furthermore, in a second experiment, we use the ratchet effect as a probe of the optical potential depths. We show that an oscillating force with a frequency far above any other system-inherent timescale, can be used to renormalize the optical potential. The ^87Rb atoms experience an average position dependent force, which becomes controllable over the amplitude of the applied driving.

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Petersen, Ingo [Verfasser]. "Photoelectron Momentum Distributions from Recollision-Free Strong-Field Ionization of Atoms and Molecules / Ingo Petersen." München : Verlag Dr. Hut, 2015. http://d-nb.info/1067708197/34.

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Laine, Patrick L. "Laser flash photolysis studies of halogen atom reactions of atmospheric interest." Diss., Georgia Institute of Technology, 2011. http://hdl.handle.net/1853/42817.

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The Earth's atmosphere is a large photochemical reactor consisting primarily of N2 (~78%) and O2 (~21%) with Ar and water vapor being the next most abundant constituents. All of the remaining gases in the atmosphere are referred to as 'trace gases', and they play a critical role in understanding climate change, urban air quality, ozone production and depletion, and in determining the overall 'health' of the atmosphere. These trace components are present in our atmosphere with mixing ratios, i.e., mole fractions, ranging from sub parts per trillion to several hundred parts per million. One class of trace constituents that play a critical role in atmospheric chemistry are free radicals. Free radicals are highly reactive, often initiating the oxidation of natural and anthropogenic atmospheric species, thereby often controlling the fate and lifetimes of these species. The research comprising this dissertation focuses on laboratory studies of the kinetics and mechanisms of free radical (atomic halogen) reactions that can impact the levels of important trace atmospheric species. In the studies reported herein, laser flash photolysis (LFP) was coupled with time resolved atomic resonance fluorescence (RF) spectroscopic detection of Cl or Br atoms to investigate halogen atom chemistry. The research addresses three groups of reactions: Cl atom reactions with alkyl bromides, Cl and Br-initiated oxidations of small (C2-C6) alkenes, and Cl reactions with CH3SCH3 (DMS, dimethylsulfide) and CH3SeCH3 (DMSe, dimethylselenide). The alkyl bromide reactions were experimentally unique in that we were able to deduce kinetics of the Cl atom reaction with bromoethane, n-bromopropane, and 1,2-dibromoethane by monitoring the appearance of the Br product by LFP-RF. The Br is formed via elimination that occurs essentially instantaneously following β-H abstraction by the Cl atom. All three of the bromoalkanes investigated are emitted into the atmosphere primarily from anthropogenic sources and all three have been identified by the World Meteorological Organization (WMO) as very short-lived (lifetime less than 6 months) source gases with significant ozone depletion potentials (ODPs). Additionally, the bromoalkanes mentioned above have been of interest as model compounds for larger partially halogenated organics found in the atmosphere, and they have been considered as potential replacement compounds for chlorofluorocarbons (CFCs) that have been banned as a result of the Montreal Protocol. Brominated very short-lived compounds are thought to contribute 20-25% of total stratospheric bromine. Thus, there is considerable interest in understanding the atmospheric chemistry of even the most short-lived organic bromine compounds. Temporal profiles of Br atoms provided important kinetic and mechanistic insight for the reactions over a wide range of temperature and pressure. Temperature-dependent rate coefficients are determined for the alkyl bromides of interest for the first time, and the potential importance of the Cl reaction as an atmospheric degradation pathway for each alkyl bromide is qualitatively assessed. The studies of halogen atom reactions with alkenes focused on formation of weakly-bound adducts where kinetics of adduct formation and dissociation as well as non-adduct forming channels were evaluated. The elementary steps in the Br initiated oxidation of the alkenes 2-methyl-1,3-butadiene (isoprene), 2,3-dimethyl-2-butene (tetramethylethylene, TME), and 1,3-butadiene have been investigated. The experimental kinetic database for these reactions is quite sparse. The kinetic results reported herein, suggests that Br reaction with the above olefins is much faster than previously thought. Analysis of the temperature dependence of the "approach to equilibrium" kinetic data in conjunction with electronic structure calculations allows for determination of enthalpy and entropy changes associated with each addition reaction. Where possible, both forward addition and reverse dissociation channels as well as H-abstraction pathways were characterized. The enthalpy change associated with the addition reaction to give the Br−isoprene and Br−1,3-butadiene adducts has been determined for the first time and the bond dissociation enthalpy obtained for the Br−TME adduct is in reasonable agreement with the only other previously reported value. It should be noted that in the case of isoprene and 1,3-butadiene, there are multiple possible adducts that could be formed. In order to help clarify which adducts are more or less likely to be formed, we rely on electronic structure calculations (see Chapter 5) to aid in our overall understanding of the adduct forming channels. Furthermore, for the Br reactions with the three alkenes above, atomic Br kinetics have been monitored directly both in the absence and in the presence of O2 which allowed, for the first time, determination of rate coefficients for the elementary steps in the overall complex mechanism including determination of the Br−olefin + O2 rate coefficient. Also included in this group of reactions is the chlorine reaction with isoprene. In addition to the well-known fact that isoprene is emitted into the atmosphere from vegetation, a potentially significant marine source of isoprene has received considerable attention. Chlorine has long been thought to exist primarily in marine environments, however, recent findings also suggest a significant Cl production rate in the middle of the continental United States. There are numerous room temperature kinetic studies for the Cl + isoprene reaction in the literature, however, there is only one temperature dependent study reported. Current recommended 298 K rate coefficients for isoprene reactions suggest the Cl reaction is ~ 4x faster than the analogous OH reaction. If indeed this is the case, the Cl reaction could play a non-neglibible role in isoprene oxidation in atmospheric locales where Cl concentrations are relatively high. In addition, the C−Cl bond strength in Cl−C5H8 is obtained from direct measurements of the forward and reversible addition rate coefficients. Our results are compared with the literature data, and the potential importance of Cl-initiated oxidation as an atmospheric sink for isoprene is assessed. The final group of reactions investigated involves reactions of Cl with DMS and DMSe. DMS and DMSe are the most prevalent sulfur and selenium compounds emitted to the atmosphere from the oceans. The oxidation of DMS has been studied extensively due to the interest in the possible role of DMS oxidation in the formation of sulfate aerosols, however, DMSe oxidation processes have hardly been studied at all. And, DMSe oxidation products are likely to be less volatile than the analogous DMS species. Selenium is an essential nutrient for many plants and animals; however, there is a fine line between enough and excess selenium which can be toxic. Most studies suggest that atmospheric deposition is an important source of Se contamination, and it is therefore critical to evaluate the source emissions and fate of Se in the atmosphere. Since the majority of atmospheric Se exists in the form of DMSe, determination of the kinetics and oxidation mechanisms of DMSe will go a long way towards understanding the global biogeochemical cycle of Se. Both reversible addition and H-abstraction pathways have been characterized, and the first experimental determination of bond strength of the gas-phase DMS−Cl and DMSe−Cl adducts have been obtained.

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Rudek, Benedikt [Verfasser], and Joachim [Akademischer Betreuer] Ullrich. "Multiple Ionization of Heavy Atoms by Intense X-Ray Free-Electron Laser Pulses / Benedikt Rudek ; Betreuer: Joachim Ullrich." Heidelberg : Universitätsbibliothek Heidelberg, 2012. http://d-nb.info/1179784510/34.

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Ortegel, Norbert Verfasser], and Harald [Akademischer Betreuer] [Weinfurter. "State readout of single Rubidium-87 atoms for a loophole-free test of Bell’s inequality / Norbert Ortegel ; Betreuer: Harald Weinfurter." München : Universitätsbibliothek der Ludwig-Maximilians-Universität, 2016. http://d-nb.info/1119073464/34.

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Books on the topic "Free atoms"

1

Klabunde, Kenneth J. Free atoms, clusters, and nanoscale particles. San Diego: Academic Press, 1994.

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Introduction to the theory of x-ray and electronic spectra of free atoms. New York: Plenum Press, 1996.

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3

Karazija, Romas. Introduction to the Theory of X-Ray and Electronic Spectra of Free Atoms. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4899-1534-4.

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4

Nakhate, S. G. Supersonic pulsed free-jet of atoms and molecules of refractory metals: Laser induced fluorescence spectroscopic studies on zirconium atoms and zirconium oxide molecules. Mumbai: Bhabha Atomic Research Centre, 2004.

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5

Atoms of the living flame: An odyssey into ethics and the physical chemistry of free will. Lanham, MD: University Press of America, 1985.

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6

Timonen, Raimo. Kinetics of the reactions of some polyatomic free radicals with Cl₂ and Br₂, and reactions of formyl radicals with O₂, NO₂, Cl₂, Br₂, and H atoms. Helsinki: Suomalainen Tiedeakatemia, 1988.

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7

Free Atoms, Clusters, and Nanoscale Particles. Elsevier, 1994. http://dx.doi.org/10.1016/c2009-0-21275-x.

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8

Hanna, D. C., M. A. Yuratich, and D. Cotter. Nonlinear Optics of Free Atoms and Molecules. Springer, 2013.

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J, Klabunde Kenneth, ed. Thin films from free atoms and particles. Orlando: Academic Press, 1985.

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Thin Films from Free Atoms and Particles. Elsevier, 1985. http://dx.doi.org/10.1016/b978-0-12-410755-7.x5001-5.

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Book chapters on the topic "Free atoms"

1

Vogt, Natalja, and Jürgen Vogt. "Inorganic Molecules without Carbon Atoms." In Structure Data of Free Polyatomic Molecules, 33–136. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-29430-4_2.

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Vogt, Natalja, and Jürgen Vogt. "Molecules with Two Carbon Atoms." In Structure Data of Free Polyatomic Molecules, 205–307. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-29430-4_4.

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Vogt, Natalja, and Jürgen Vogt. "Molecules with Three Carbon Atoms." In Structure Data of Free Polyatomic Molecules, 309–98. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-29430-4_5.

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Vogt, Natalja, and Jürgen Vogt. "Molecules with Four Carbon Atoms." In Structure Data of Free Polyatomic Molecules, 399–505. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-29430-4_6.

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Vogt, Natalja, and Jürgen Vogt. "Molecules with Five Carbon Atoms." In Structure Data of Free Polyatomic Molecules, 507–84. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-29430-4_7.

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Vogt, Natalja, and Jürgen Vogt. "Molecules with Six Carbon Atoms." In Structure Data of Free Polyatomic Molecules, 585–669. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-29430-4_8.

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Aksela, Seppo. "Auger Spectroscopy of Free Atoms: Experimental." In X-Ray Spectroscopy in Atomic and Solid State Physics, 1–13. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-0731-0_1.

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Gavrila, M. "Free-Free Transitions of Electron-Atom Systems in Intense Radiation Fields." In Collision Theory for Atoms and Molecules, 139–89. Boston, MA: Springer US, 1989. http://dx.doi.org/10.1007/978-1-4684-5655-4_4.

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Cherepkov, N. A. "Photoionization of Polarized Atoms Applications to Free Atoms and Ferromagnets." In Selected Topics on Electron Physics, 385–95. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4613-0421-0_33.

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Bivona, S., R. Daniele, G. Ferrante, and F. Trombetta. "High Intensity Effects in Multiphoton Free-Free Transitions." In Photons and Continuum States of Atoms and Molecules, 270–80. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/978-3-642-71778-9_38.

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Conference papers on the topic "Free atoms"

1

Lee, J., and W. T. Hill, III. "Arbitrary Dipole Potentials for Ultracold Atoms: Free-Space Atom Chips." In International Quantum Electronics Conference. Washington, D.C.: OSA, 2011. http://dx.doi.org/10.1364/iqec.2011.i1149.

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Lee, J., and W. T. Hill. "Arbitrary dipole potentials for ultracold atoms: Free-space atom chips." In 2011 International Quantum Electronics Conference (IQEC) and Conference on Lasers and Electro-Optics (CLEO) Pacific Rim. IEEE, 2011. http://dx.doi.org/10.1109/iqec-cleo.2011.6194161.

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Portillo, S. "Absolute Doubly Differential Electron-Bremsstrahlung Cross Sections from Free Atoms." In APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: 17TH International Conference on the Application of Accelerators in Research and Industry. AIP, 2003. http://dx.doi.org/10.1063/1.1619678.

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Zhang, Jiapei, Wei Li, Zhangcan Yang, and Yingzhao He. "Molecular Dynamics Simulation of Diffusion and Aggregation Behavior of Helium in Tungsten Bulk Materials." In ASME 2019 6th International Conference on Micro/Nanoscale Heat and Mass Transfer. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/mnhmt2019-3947.

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Abstract Controlled thermonuclear fusion is a promising project. If it can be realized, it will certainly replace fossil fuels and solve the problem of energy exhaustion facing humanity. The fusion reaction fuel is a light core, which can be extracted from sea water. The source is very rich, and the fusion reaction of hydrogen and its isotopes is not radioactive, so the fusion energy can be efficient, cheap and clean. At present, the realization of this technology still faces many difficult problems that have not been overcome. The Tokamak device is the most promising device for realizing the controlled thermonuclear fusion. It utilizes a toroidal magnetic field to confine the high temperature plasma. Among them, the choice of plasma-facing materials is the key factor that determines whether or not controlled nuclear fusion can be achieved. For the time being, tungsten is the preferred plasma-facing material. In the case of fusion, tungsten is exposed to extreme conditions such as high temperature and strong radiation, and a large number of defects are generated inside. In this thesis, the molecular dynamics software LAMMPS was used to study one of the defects, interstitial atoms, and the interaction of helium atoms to understand the diffusion and aggregation behavior of helium and the evolution of defects in tungsten. The following aspects are mainly studied: one is the calculation of the binding energy of an interstitial atom and helium atoms, the other is the study of the interstitial and helium atoms’ space configurations, and the third is comparing trap mutation in defective tungsten materials with trap mutation in tungsten materials without defects, and the fourth is the recording of the displacement of the helium atoms and the interstitial atom at temperature control. The study found that the presence of the interstitial atom will indeed affect the aggregation and diffusion of helium atoms, which will trap the movement of helium atoms and cause the helium atoms to gather near the interstitial atoms and form small clusters of helium. As the cluster grows larger, trap mutations occur like a defect-free tungsten block.

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Svensson, S. "High resolution core-level electron spectroscopy on free molecules and atoms." In X-RAY AND INNER-SHELL PROCESSES. ASCE, 1997. http://dx.doi.org/10.1063/1.52270.

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Pan, Li, Don R. Metzger, and Marek Niewczas. "The Meshless Dynamic Relaxation Techniques for Simulating Atomic Structures of Materials." In ASME 2002 Pressure Vessels and Piping Conference. ASMEDC, 2002. http://dx.doi.org/10.1115/pvp2002-1284.

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Traditionally, Molecular Dynamics combined with pair potential functions or the Embedded Atom Method (EAM) is applied to simulate the motion of atoms. When a defect is generated in the crystalline lattice, the equilibrium of atoms around it is destroyed. The atoms move to find a new place where the potential energy in the system is minimum, which could result in a change of the local atomic structure. The present paper introduces new Dynamic Relaxation algorithm, which is based on explicit Finite Element Analysis, and pair or EAM potential function, to find equilibrium positions of the block of atoms containing different structural defects. The internal force and stiffness at the atoms (nodes) are obtained by the first and second derivatives of the potential energy functions. The convergence criterion is based on the Euclidean norm of internal force being close to zero when the potential energy is minimum. The damping ratio affects the solution path so that different damping ratios could lead to different minimum potential energy and equilibrium shapes. The numerical responses and results by applying free boundary conditions and certain periodic boundary conditions are presented. The choice of scaled mass of atoms, proper time step and damping appropriate for the efficient and stable simulation is studied.

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Cruz, Flavio C., Michael L. Sundheimer, and Wictor C. Magno. "Temperature limits in laser cooling of free atoms with three-level transitions." In 2013 Conference on Lasers & Electro-Optics Europe & International Quantum Electronics Conference CLEO EUROPE/IQEC. IEEE, 2013. http://dx.doi.org/10.1109/cleoe-iqec.2013.6801748.

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Sherman, J. A., and C. W. Oates. "Stability limits of an optical frequency standard based on free Ca atoms." In 2011 Joint Conference of the IEEE International Frequency Control and the European Frequency and Time Forum (FCS). IEEE, 2011. http://dx.doi.org/10.1109/fcs.2011.5977851.

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Stanifer, Ethan, and James P. Clemens. "Collective Spontaneous Emission and Tripartite Entanglement of Driven, Damped Atoms in Free Space." In Conference on Coherence and Quantum Optics. Washington, D.C.: OSA, 2013. http://dx.doi.org/10.1364/cqo.2013.m6.11.

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Tavousi, Pouya, Morad Behandish, Kazem Kazerounian, and Horea T. Ilieş. "An Improved Free Energy Formulation and Implementation for Kinetostatic Protein Folding Simulation." In ASME 2013 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/detc2013-12671.

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Protein structure prediction remains one of the significant challenges in computational biology. We have previously shown that our kinetostatic compliance method can overcome some of the key difficulties faced by other de novo structural prediction methods, such as the very small time steps required by the molecular dynamics approaches, or the very large number of samples required by the sampling based techniques. In this paper we extend the previous free energy formulation by adding the solvent effects, which contribute predominantly to the folding phenomena. We show that the addition of the solvation effects, which complement the existing Coulombic and van der Waals interactions, lead to a physically effective energy function. Furthermore, we achieve significant computational speed-up by employing efficient algorithms and data structures that effectively reduce the time complexity from O(n2) to O(n), n being the number of atoms. Our simulations are consistent with the general behavior observed in protein folding, and show that the hydrophobic atoms tend to pack inside the core of the molecule in an aqueous solvent, while a vacuum environment produces no such effect.

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Reports on the topic "Free atoms"

1

Medhurst, Laura Jane. Photoelectron and photodissociation studies of free atoms and molecules, using synchrotron radiation. Office of Scientific and Technical Information (OSTI), November 1991. http://dx.doi.org/10.2172/10107081.

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Medhurst, L. J. Photoelectron and photodissociation studies of free atoms and molecules, using synchrotron radiation. Office of Scientific and Technical Information (OSTI), November 1991. http://dx.doi.org/10.2172/6108881.

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Anisimov, Petr Mikhaylovich. From shy atoms and photons to quantum future of X-ray free electron lasers. Office of Scientific and Technical Information (OSTI), February 2015. http://dx.doi.org/10.2172/1170698.

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Szoeke, A., and J. Garrison. Theory of atoms in strong, pulsed electromagnetic fields: 2, A free electron and a harmonically bound electron. Office of Scientific and Technical Information (OSTI), July 1987. http://dx.doi.org/10.2172/6267134.

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Gray, Mark Girard. Multigroup Free-atom Doppler-broadening Approximation. Theory. Office of Scientific and Technical Information (OSTI), November 2015. http://dx.doi.org/10.2172/1225564.

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Gray, Mark Girard. Multigroup Free-atom Doppler-broadening Approximation. Experiment. Office of Scientific and Technical Information (OSTI), November 2015. http://dx.doi.org/10.2172/1225565.

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Hutchinson, J. M. R., and K. G. W. Inn. [Atom-counting standards and Doppler-free resonance ionization mass spectroscopy]. [Progress report]. Office of Scientific and Technical Information (OSTI), December 1988. http://dx.doi.org/10.2172/10180897.

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Cullen, D., S. McKinley, and C. Hagmann. Verification of High Temperature Free Atom Thermal Scattering in MERCURY Compared to TART. Office of Scientific and Technical Information (OSTI), August 2006. http://dx.doi.org/10.2172/900054.

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9

Gledhill, Galen. Better Beams Through Simplicity: High-intensity Free-Jet Sources in Neutral Atom Microscopy. Portland State University Library, January 2014. http://dx.doi.org/10.15760/honors.59.

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Blank, D. A., N. Hemmi, A. G. Suits, and Y. T. Lee. Free radical hydrogen atom abstraction from saturated hydrocarbons: A crossed-molecular-beams study of the reaction Cl + C{sub 3}H{sub 8} {yields} HCl + C{sub 3}H{sub 7}. Office of Scientific and Technical Information (OSTI), April 1997. http://dx.doi.org/10.2172/603612.

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