Reversal of photon-scattering errors in atomic qubits.

PubMed

Akerman, N; Kotler, S; Glickman, Y; Ozeri, R

2012-09-07

Spontaneous photon scattering by an atomic qubit is a notable example of environment-induced error and is a fundamental limit to the fidelity of quantum operations. In the scattering process, the qubit loses its distinctive and coherent character owing to its entanglement with the photon. Using a single trapped ion, we show that by utilizing the information carried by the photon, we are able to coherently reverse this process and correct for the scattering error. We further used quantum process tomography to characterize the photon-scattering error and its correction scheme and demonstrate a correction fidelity greater than 85% whenever a photon was measured.

Electrifying model catalysts for understanding electrocatalytic reactions in liquid electrolytes.

PubMed

Faisal, Firas; Stumm, Corinna; Bertram, Manon; Waidhas, Fabian; Lykhach, Yaroslava; Cherevko, Serhiy; Xiang, Feifei; Ammon, Maximilian; Vorokhta, Mykhailo; Šmíd, Břetislav; Skála, Tomáš; Tsud, Nataliya; Neitzel, Armin; Beranová, Klára; Prince, Kevin C; Geiger, Simon; Kasian, Olga; Wähler, Tobias; Schuster, Ralf; Schneider, M Alexander; Matolín, Vladimír; Mayrhofer, Karl J J; Brummel, Olaf; Libuda, Jörg

2018-07-01

Electrocatalysis is at the heart of our future transition to a renewable energy system. Most energy storage and conversion technologies for renewables rely on electrocatalytic processes and, with increasing availability of cheap electrical energy from renewables, chemical production will witness electrification in the near future 1-3 . However, our fundamental understanding of electrocatalysis lags behind the field of classical heterogeneous catalysis that has been the dominating chemical technology for a long time. Here, we describe a new strategy to advance fundamental studies on electrocatalytic materials. We propose to 'electrify' complex oxide-based model catalysts made by surface science methods to explore electrocatalytic reactions in liquid electrolytes. We demonstrate the feasibility of this concept by transferring an atomically defined platinum/cobalt oxide model catalyst into the electrochemical environment while preserving its atomic surface structure. Using this approach, we explore particle size effects and identify hitherto unknown metal-support interactions that stabilize oxidized platinum at the nanoparticle interface. The metal-support interactions open a new synergistic reaction pathway that involves both metallic and oxidized platinum. Our results illustrate the potential of the concept, which makes available a systematic approach to build atomically defined model electrodes for fundamental electrocatalytic studies.

SURVEY OF AIR AND GAS CLEANING OPERATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morgenthaler, A.C.

1959-09-01

An informative summary of air and gas cleaning operations in the Chemicai Processing Department of the Hanfor Atomic Products Operation, Richland, Washington, is presented. Descriptlons of the fundamental components of cleaning systems, their applications, and cost information are included. (R.G.G.)

Quantization of Differences Between Atomic and Nuclear Rest Masses and Self-organization of Atoms and Nuclei

NASA Astrophysics Data System (ADS)

Gareev, F. A.; Zhidkova, I. E.

2007-03-01

We come to the conclusion that all atomic models based on either the Newton equation and the Kepler laws, or the Maxwell equations, or the Schrodinger and Dirac equations are in reasonable agreement with experimental data. We can only suspect that these equations are grounded on the same fundamental principle(s) which is (are) not known or these equations can be transformed into each other. We proposed a new mechanism of LENR: cooperative processes in the whole system nuclei + atoms + condensed matter - nuclear reactions in plasma - can occur at smaller threshold energies than the corresponding ones on free constituents. We were able to quantize phenomenologically the first time the differences between atomic and nuclear rest masses by the formula: δδM =n1/n2 X 0.0076294 (in MeV/ c^2), ni=1,2,3,.... Note that this quantization rule is justified for atoms and nuclei with different A, N and Z and the nuclei and atoms represent a coherent synchronized systems - a complex of coupled oscillators (resonators). The cooperative resonance synchronization mechanisms can explain how electron volt (atomic-) scale processes can induce and control nuclear MeV (nuclear-) scale processes and reactions., F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/ 0610002 2006.

Physically representative atomistic modeling of atomic-scale friction

NASA Astrophysics Data System (ADS)

Dong, Yalin

Nanotribology is a research field to study friction, adhesion, wear and lubrication occurred between two sliding interfaces at nano scale. This study is motivated by the demanding need of miniaturization mechanical components in Micro Electro Mechanical Systems (MEMS), improvement of durability in magnetic storage system, and other industrial applications. Overcoming tribological failure and finding ways to control friction at small scale have become keys to commercialize MEMS with sliding components as well as to stimulate the technological innovation associated with the development of MEMS. In addition to the industrial applications, such research is also scientifically fascinating because it opens a door to understand macroscopic friction from the most bottom atomic level, and therefore serves as a bridge between science and engineering. This thesis focuses on solid/solid atomic friction and its associated energy dissipation through theoretical analysis, atomistic simulation, transition state theory, and close collaboration with experimentalists. Reduced-order models have many advantages for its simplification and capacity to simulating long-time event. We will apply Prandtl-Tomlinson models and their extensions to interpret dry atomic-scale friction. We begin with the fundamental equations and build on them step-by-step from the simple quasistatic one-spring, one-mass model for predicting transitions between friction regimes to the two-dimensional and multi-atom models for describing the effect of contact area. Theoretical analysis, numerical implementation, and predicted physical phenomena are all discussed. In the process, we demonstrate the significant potential for this approach to yield new fundamental understanding of atomic-scale friction. Atomistic modeling can never be overemphasized in the investigation of atomic friction, in which each single atom could play a significant role, but is hard to be captured experimentally. In atomic friction, the interesting physical process is buried between the two contact interfaces, thus makes a direct measurement more difficult. Atomistic simulation is able to simulate the process with the dynamic information of each single atom, and therefore provides valuable interpretations for experiments. In this, we will systematically to apply Molecular Dynamics (MD) simulation to optimally model the Atomic Force Microscopy (AFM) measurement of atomic friction. Furthermore, we also employed molecular dynamics simulation to correlate the atomic dynamics with the friction behavior observed in experiments. For instance, ParRep dynamics (an accelerated molecular dynamic technique) is introduced to investigate velocity dependence of atomic friction; we also employ MD simulation to "see" how the reconstruction of gold surface modulates the friction, and the friction enhancement mechanism at a graphite step edge. Atomic stick-slip friction can be treated as a rate process. Instead of running a direction simulation of the process, we can apply transition state theory to predict its property. We will have a rigorous derivation of velocity and temperature dependence of friction based on the Prandtl-Tomlinson model as well as transition theory. A more accurate relation to prediction velocity and temperature dependence is obtained. Furthermore, we have included instrumental noise inherent in AFM measurement to interpret two discoveries in experiments, suppression of friction at low temperature and the attempt frequency discrepancy between AFM measurement and theoretical prediction. We also discuss the possibility to treat wear as a rate process.

String-like collective atomic motion in the melting and freezing of nanoparticles.

PubMed

Zhang, Hao; Kalvapalle, Pranav; Douglas, Jack F

2011-12-08

The melting of a solid represents a transition between a solid state in which atoms are localized about fixed average crystal lattice positions to a fluid state that is characterized by relative atomic disorder and particle mobility so that the atoms wander around the material as a whole, impelled by the random thermal impulses of surrounding atoms. Despite the fundamental nature and practical importance of this particle delocalization transition, there is still no fundamental theory of melting and instead one often relies on the semi-phenomenological Lindemann-Gilvarry criterion to estimate roughly the melting point as an instability of the crystal lattice. Even the earliest simulations of melting in hexagonally packed hard discs by Alder and Wainwright indicated the active role of nonlocal collective atomic motions in the melting process, and here we utilize molecular dynamics (MD) simulation to determine whether the collective particle motion observed in melting has a similar geometrical form as those in recent studies of nanoparticle (NP) interfacial dynamics and the molecular dynamics of metastable glass-forming liquids. We indeed find string-like collective atomic motion in NP melting that is remarkably similar in form to the collective interfacial motions in NPs at equilibrium and to the collective motions found in the molecular dynamics of glass-forming liquids. We also find that the spatial localization and extent of string-like motion in the course of NP melting and freezing evolves with time in distinct ways. Specifically, the collective atomic motion propagates from the NP surface and from within the NP in melting and freezing, respectively, and the average string length varies smoothly with time during melting. In contrast, the string-like cooperative motion peaks in an intermediate stage of the freezing process, reflecting a general asymmetry in the dynamics of NP superheating and supercooling. © 2011 American Chemical Society

Induced dipole-dipole coupling between two atoms at a migration resonance

NASA Astrophysics Data System (ADS)

Kaur, Maninder; Mian, Mahmood

2018-05-01

Results of numerical simulations for the resonant energy exchange phenomenon called Migration reaction between two cold Rydberg atoms are presented. The effect of spatial interatomic distance on the onset of peculiar coherent mechanism is investigated. Observation of Rabi-like population inversion oscillation at the resonance provides a clear signature of dipole induced exchange of electronic excitations between the atoms. Further we present the results for the dependence of expectation value of the interaction hamiltonian on the interatomic distance, which is responsible for energy exchange process. The results of this observation endorse the range of inter atomic distance within which the excitation exchange process occurs completely or partially. Migration process enhance the Rydberg-Rydberg interaction in the absence of an external field, under the condition of the zero permanent dipole moments. Our next observation sheds light on the fundamental mechanism of induced electric fields initiated by the oscillating dipoles in such energy exchange processes. We explore the dependence of induced electric field on the interatomic distance and angle between the dipoles highlighting the inverse power law dependence and anisotropic property of the field. We put forward an idea to utilise the coherent energy exchange process to build efficient and fast energy transfer channels by incorporating more atoms organised at successive distances with decreasing distance gradient.

Dynamics of Hollow Atom Formation in Intense X-Ray Pulses Probed by Partial Covariance Mapping

NASA Astrophysics Data System (ADS)

Frasinski, L. J.; Zhaunerchyk, V.; Mucke, M.; Squibb, R. J.; Siano, M.; Eland, J. H. D.; Linusson, P.; v. d. Meulen, P.; Salén, P.; Thomas, R. D.; Larsson, M.; Foucar, L.; Ullrich, J.; Motomura, K.; Mondal, S.; Ueda, K.; Osipov, T.; Fang, L.; Murphy, B. F.; Berrah, N.; Bostedt, C.; Bozek, J. D.; Schorb, S.; Messerschmidt, M.; Glownia, J. M.; Cryan, J. P.; Coffee, R. N.; Takahashi, O.; Wada, S.; Piancastelli, M. N.; Richter, R.; Prince, K. C.; Feifel, R.

2013-08-01

When exposed to ultraintense x-radiation sources such as free electron lasers (FELs) the innermost electronic shell can efficiently be emptied, creating a transient hollow atom or molecule. Understanding the femtosecond dynamics of such systems is fundamental to achieving atomic resolution in flash diffraction imaging of noncrystallized complex biological samples. We demonstrate the capacity of a correlation method called “partial covariance mapping” to probe the electron dynamics of neon atoms exposed to intense 8 fs pulses of 1062 eV photons. A complete picture of ionization processes competing in hollow atom formation and decay is visualized with unprecedented ease and the map reveals hitherto unobserved nonlinear sequences of photoionization and Auger events. The technique is particularly well suited to the high counting rate inherent in FEL experiments.

Fundamental insights into interfacial catalysis.

PubMed

Gong, Jinlong; Bao, Xinhe

2017-04-03

Surface and interfacial catalysis plays a vital role in chemical industries, electrochemistry and photochemical reactions. The challenges of modern chemistry are to optimize the chemical reaction processes and understand the detailed mechanism of chemical reactions. Since the early 1960s, the foundation of surface science systems has allowed the study of surface and interfacial phenomena on atomic/molecular level, and thus brought a number of significant developments to fundamental and technological processes, such as catalysis, material science and biochemistry, just to name a few. This themed issue describes the recent advances and developments in the fundamental understanding of surface and interfacial catalysis, encompassing areas of knowledge from metal to metal oxide, carbide, graphene, hexagonal boron nitride, and transition metal dichalcogenides under ultrahigh vacuum conditions, as well as under realistic reaction conditions.

The Particle Adventure | What is fundamental? | Fundamental

Science.gov Websites

? The modern atom model The scale of the atom What are we looking for? The standard model The standard Major accelerators The event Detectors Detector shapes Modern detectors Typical detector components

Report on the 18th International Conference on X-ray and Inner-Shell Processes (X99).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gemmell, D. S.; Physics

2000-01-01

The 18th conference of the series served as a forum for discussing fundamental issues in the field of x-ray and inner-shell processes and their application in various disciplines of science and technology. Special emphasis was given to the opportunities offered by modern synchrotron x-ray sources. The program included plenary talks, progress reports and poster presentations relating to new developments in the field of x-ray and inner-shell processes. The range of topics included: X-ray interactions with atoms, molecules, clusters, surfaces and solids; Decay processes for inner-shell vacancies; X-ray absorption and emission spectroscopy - Photoionization processes; Phenomena associated with highly charged ionsmore » and collisions with energetic particles; Electron-spin and -momentum spectroscopy; X-ray scattering and spectroscopy in the study of magnetic systems; Applications in materials science, biology, geosciences, and other disciplines; Elastic and inelastic x-ray scattering processes in atoms and molecules; Threshold phenomena (post-collision interaction, resonant Raman processes, etc.); Nuclear absorption and scattering of x-rays; 'Fourth-generation' x-ray sources; Processes exploiting the polarization and coherence properties of x-ray beams; Developments in experimental techniques (x-ray optics, temporal techniques, detectors); Microscopy, spectromicroscopy, and various imaging techniques; Non-linear processes and x-ray lasers; Ionization and excitation induced by charged particles and by x-rays; and Exotic atoms (including 'hollow' atoms and atoms that contain 'exotic' particles).« less

Time-resolved scattering of a single photon by a single atom

PubMed Central

Leong, Victor; Seidler, Mathias Alexander; Steiner, Matthias; Cerè, Alessandro; Kurtsiefer, Christian

2016-01-01

Scattering of light by matter has been studied extensively in the past. Yet, the most fundamental process, the scattering of a single photon by a single atom, is largely unexplored. One prominent prediction of quantum optics is the deterministic absorption of a travelling photon by a single atom, provided the photon waveform matches spatially and temporally the time-reversed version of a spontaneously emitted photon. Here we experimentally address this prediction and investigate the influence of the photon's temporal profile on the scattering dynamics using a single trapped atom and heralded single photons. In a time-resolved measurement of atomic excitation we find a 56(11)% increase of the peak excitation by photons with an exponentially rising profile compared with a decaying one. However, the overall scattering probability remains unchanged within the experimental uncertainties. Our results demonstrate that envelope tailoring of single photons enables precise control of the photon–atom interaction. PMID:27897173

Mercury in Environmental and Biological Samples Using Online Combustion with Sequential Atomic Absorption and Fluorescence Measurements: A Direct Comparison of Two Fundamental Techniques in Spectrometry

ERIC Educational Resources Information Center

Cizdziel, James V.

2011-01-01

In this laboratory experiment, students quantitatively determine the concentration of an element (mercury) in an environmental or biological sample while comparing and contrasting the fundamental techniques of atomic absorption spectrometry (AAS) and atomic fluorescence spectrometry (AFS). A mercury analyzer based on sample combustion,…

Implementation of atomic layer etching of silicon: Scaling parameters, feasibility, and profile control

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ranjan, Alok, E-mail: alok.ranjan@us.tel.com; Wang, Mingmei; Sherpa, Sonam D.

2016-05-15

Atomic or layer by layer etching of silicon exploits temporally segregated self-limiting adsorption and material removal steps to mitigate the problems associated with continuous or quasicontinuous (pulsed) plasma processes: selectivity loss, damage, and profile control. Successful implementation of atomic layer etching requires careful choice of the plasma parameters for adsorption and desorption steps. This paper illustrates how process parameters can be arrived at through basic scaling exercises, modeling and simulation, and fundamental experimental tests of their predictions. Using chlorine and argon plasma in a radial line slot antenna plasma source as a platform, the authors illustrate how cycle time, ionmore » energy, and radical to ion ratio can be manipulated to manage the deviation from ideality when cycle times are shortened or purges are incomplete. Cell based Monte Carlo feature scale modeling is used to illustrate profile outcomes. Experimental results of atomic layer etching processes are illustrated on silicon line and space structures such that iso-dense bias and aspect ratio dependent free profiles are produced. Experimental results also illustrate the profile control margin as processes move from atomic layer to multilayer by layer etching. The consequence of not controlling contamination (e.g., oxygen) is shown to result in deposition and roughness generation.« less

Atomic-Scale Observations of (010) LiFePO4 Surfaces Before and After Chemical Delithiation.

PubMed

Kobayashi, Shunsuke; Fisher, Craig A J; Kato, Takeharu; Ukyo, Yoshio; Hirayama, Tsukasa; Ikuhara, Yuichi

2016-09-14

The ability to view directly the surface structures of battery materials with atomic resolution promises to dramatically improve our understanding of lithium (de)intercalation and related processes. Here we report the use of state-of-the-art scanning transmission electron microscopy techniques to probe the (010) surface of commercially important material LiFePO4 and compare the results with theoretical models. The surface structure is noticeably different depending on whether Li ions are present in the topmost surface layer or not. Li ions are also found to migrate back to surface regions from within the crystal relatively quickly after partial delithiation, demonstrating the facile nature of Li transport in the [010] direction. The results are consistent with phase transformation models involving metastable phase formation and relaxation, providing atomic-level insights into these fundamental processes.

Noise in state of the art clocks and their impact for fundamental physics

NASA Technical Reports Server (NTRS)

Maleki, L.

2001-01-01

In this paper a review of the use of advanced atomic clocks in testing the fundamental physical laws will be presented. Noise sources of clocks will be discussed, together with an outline their characterization based on current models. The paper will conclude with a discussion of recent attempts to reduce the fundamental, as well as technical noise in atomic clocks.

The Los Alamos suite of relativistic atomic physics codes

DOE PAGES

Fontes, C. J.; Zhang, H. L.; Jr, J. Abdallah; ...

2015-05-28

The Los Alamos SuitE of Relativistic (LASER) atomic physics codes is a robust, mature platform that has been used to model highly charged ions in a variety of ways. The suite includes capabilities for calculating data related to fundamental atomic structure, as well as the processes of photoexcitation, electron-impact excitation and ionization, photoionization and autoionization within a consistent framework. These data can be of a basic nature, such as cross sections and collision strengths, which are useful in making predictions that can be compared with experiments to test fundamental theories of highly charged ions, such as quantum electrodynamics. The suitemore » can also be used to generate detailed models of energy levels and rate coefficients, and to apply them in the collisional-radiative modeling of plasmas over a wide range of conditions. Such modeling is useful, for example, in the interpretation of spectra generated by a variety of plasmas. In this work, we provide a brief overview of the capabilities within the Los Alamos relativistic suite along with some examples of its application to the modeling of highly charged ions.« less

Atomic and molecular data for spacecraft re-entry plasmas

NASA Astrophysics Data System (ADS)

Celiberto, R.; Armenise, I.; Cacciatore, M.; Capitelli, M.; Esposito, F.; Gamallo, P.; Janev, R. K.; Laganà, A.; Laporta, V.; Laricchiuta, A.; Lombardi, A.; Rutigliano, M.; Sayós, R.; Tennyson, J.; Wadehra, J. M.

2016-06-01

The modeling of atmospheric gas, interacting with the space vehicles in re-entry conditions in planetary exploration missions, requires a large set of scattering data for all those elementary processes occurring in the system. A fundamental aspect of re-entry problems is represented by the strong non-equilibrium conditions met in the atmospheric plasma close to the surface of the thermal shield, where numerous interconnected relaxation processes determine the evolution of the gaseous system towards equilibrium conditions. A central role is played by the vibrational exchanges of energy, so that collisional processes involving vibrationally excited molecules assume a particular importance. In the present paper, theoretical calculations of complete sets of vibrationally state-resolved cross sections and rate coefficients are reviewed, focusing on the relevant classes of collisional processes: resonant and non-resonant electron-impact excitation of molecules, atom-diatom and molecule-molecule collisions as well as gas-surface interaction. In particular, collisional processes involving atomic and molecular species, relevant to Earth (N2, O2, NO), Mars (CO2, CO, N2) and Jupiter (H2, He) atmospheres are considered.

Atomic Force Microscopy of Biological Membranes

PubMed Central

Frederix, Patrick L.T.M.; Bosshart, Patrick D.; Engel, Andreas

2009-01-01

Abstract Atomic force microscopy (AFM) is an ideal method to study the surface topography of biological membranes. It allows membranes that are adsorbed to flat solid supports to be raster-scanned in physiological solutions with an atomically sharp tip. Therefore, AFM is capable of observing biological molecular machines at work. In addition, the tip can be tethered to the end of a single membrane protein, and forces acting on the tip upon its retraction indicate barriers that occur during the process of protein unfolding. Here we discuss the fundamental limitations of AFM determined by the properties of cantilevers, present aspects of sample preparation, and review results achieved on reconstituted and native biological membranes. PMID:19167286

Underground atom gradiometer array for mass distribution monitoring and advanced geodesy

NASA Astrophysics Data System (ADS)

Canuel, B.

2015-12-01

After more than 20 years of fundamental research, atom interferometers have reached sensitivity and accuracy levels competing with or beating inertial sensors based on different technologies. Atom interferometers offer interesting applications in geophysics (gravimetry, gradiometry, Earth rotation rate measurements), inertial sensing (submarine or aircraft autonomous positioning), metrology (new definition of the kilogram) and fundamental physics (tests of the standard model, tests of general relativity). Atom interferometers already contributed significantly to fundamental physics by, for example, providing stringent constraints on quantum-electrodynamics through measurements of the hyperfine structure constant, testing the Equivalence Principle with cold atoms, or providing new measurements for the Newtonian gravitational constant. Cold atom sensors have moreover been established as key instruments in metrology for the new definition of the kilogram or through international comparisons of gravimeters. The field of atom interferometry (AI) is now entering a new phase where very high sensitivity levels must be demonstrated, in order to enlarge the potential applications outside atomic physics laboratories. These applications range from gravitational wave (GW) detection in the [0.1-10 Hz] frequency band to next generation ground and space-based Earth gravity field studies to precision gyroscopes and accelerometers. The Matter-wave laser Interferometric Gravitation Antenna (MIGA) presented here is a large-scale matter-wave sensor which will open new applications in geoscience and fundamental physics. The MIGA consortium gathers 18 expert French laboratories and companies in atomic physics, metrology, optics, geosciences and gravitational physics, with the aim to build a large-scale underground atom-interferometer instrument by 2018 and operate it till at least 2023. In this paper, we present the main objectives of the project, the status of the construction of the instrument and the motivation for the applications of MIGA in geosciences

Evaluating experimental molecular physics studies of radiation damage in DNA*

NASA Astrophysics Data System (ADS)

Śmiałek, Małgorzata A.

2016-11-01

The field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental science, and in central to core technologies such as semiconductor fabrications, nanotechnology and plasma processing. In recent years the molecular physics also started significantly contributing to the area of the radiation damage at molecular level and thus cancer therapy improvement through both experimental and theoretical advances, developing new damage measurement and analysis techniques. It is therefore worth to summarise and highlight the most prominent findings from the AMP community that contribute towards better understanding of the fundamental processes in biologically-relevant systems as well as to comment on the experimental challenges that were met for more complex investigation targets. Contribution to the Topical Issue "Low-Energy Interactions related to Atmospheric and Extreme Conditions", edited by S. Ptasinska, M. Smialek-Telega, A. Milosavljevic, B. Sivaraman.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyson, T. A.; Gao, W.; Chen, Y. -S.

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

Atomic clocks and the continuous-time random-walk

NASA Astrophysics Data System (ADS)

Formichella, Valerio; Camparo, James; Tavella, Patrizia

2017-11-01

Atomic clocks play a fundamental role in many fields, most notably they generate Universal Coordinated Time and are at the heart of all global navigation satellite systems. Notwithstanding their excellent timekeeping performance, their output frequency does vary: it can display deterministic frequency drift; diverse continuous noise processes result in nonstationary clock noise (e.g., random-walk frequency noise, modelled as a Wiener process), and the clock frequency may display sudden changes (i.e., "jumps"). Typically, the clock's frequency instability is evaluated by the Allan or Hadamard variances, whose functional forms can identify the different operative noise processes. Here, we show that the Allan and Hadamard variances of a particular continuous-time random-walk, the compound Poisson process, have the same functional form as for a Wiener process with drift. The compound Poisson process, introduced as a model for observed frequency jumps, is an alternative to the Wiener process for modelling random walk frequency noise. This alternate model fits well the behavior of the rubidium clocks flying on GPS Block-IIR satellites. Further, starting from jump statistics, the model can be improved by considering a more general form of continuous-time random-walk, and this could bring new insights into the physics of atomic clocks.

Future fundamental combustion research for aeropropulsion systems

NASA Technical Reports Server (NTRS)

Mularz, E. J.

1985-01-01

Physical fluid mechanics, heat transfer, and chemical kinetic processes which occur in the combustion chamber of aeropropulsion systems were investigated. With the component requirements becoming more severe for future engines, the current design methodology needs the new tools to obtain the optimum configuration in a reasonable design and development cycle. Research efforts in the last few years were encouraging but to achieve these benefits research is required into the fundamental aerothermodynamic processes of combustion. It is recommended that research continues in the areas of flame stabilization, combustor aerodynamics, heat transfer, multiphase flow and atomization, turbulent reacting flows, and chemical kinetics. Associated with each of these engineering sciences is the need for research into computational methods to accurately describe and predict these complex physical processes. Research needs in each of these areas are highlighted.

Diffusion and surface alloying of gradient nanostructured metals

PubMed Central

Lu, Ke

2017-01-01

Gradient nanostructures (GNSs) have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed. PMID:28382244

The Belgian repository of fundamental atomic data and stellar spectra (BRASS). I. Cross-matching atomic databases of astrophysical interest

NASA Astrophysics Data System (ADS)

Laverick, M.; Lobel, A.; Merle, T.; Royer, P.; Martayan, C.; David, M.; Hensberge, H.; Thienpont, E.

2018-04-01

Context. Fundamental atomic parameters, such as oscillator strengths, play a key role in modelling and understanding the chemical composition of stars in the Universe. Despite the significant work underway to produce these parameters for many astrophysically important ions, uncertainties in these parameters remain large and can propagate throughout the entire field of astronomy. Aims: The Belgian repository of fundamental atomic data and stellar spectra (BRASS) aims to provide the largest systematic and homogeneous quality assessment of atomic data to date in terms of wavelength, atomic and stellar parameter coverage. To prepare for it, we first compiled multiple literature occurrences of many individual atomic transitions, from several atomic databases of astrophysical interest, and assessed their agreement. In a second step synthetic spectra will be compared against extremely high-quality observed spectra, for a large number of BAFGK spectral type stars, in order to critically evaluate the atomic data of a large number of important stellar lines. Methods: Several atomic repositories were searched and their data retrieved and formatted in a consistent manner. Data entries from all repositories were cross-matched against our initial BRASS atomic line list to find multiple occurrences of the same transition. Where possible we used a new non-parametric cross-match depending only on electronic configurations and total angular momentum values. We also checked for duplicate entries of the same physical transition, within each retrieved repository, using the non-parametric cross-match. Results: We report on the number of cross-matched transitions for each repository and compare their fundamental atomic parameters. We find differences in log(gf) values of up to 2 dex or more. We also find and report that 2% of our line list and Vienna atomic line database retrievals are composed of duplicate transitions. Finally we provide a number of examples of atomic spectral lines with different retrieved literature log(gf) values, and discuss the impact of these uncertain log(gf) values on quantitative spectroscopy. All cross-matched atomic data and duplicate transition pairs are available to download at http://brass.sdf.org

Concerning Units.

ERIC Educational Resources Information Center

Wadlinger, Robert L.

1983-01-01

SI units come in two distinct types: fundamental (kilogram, meter) and descriptive (atom, molecule). Proper/improper uses of atom/molecule from historical cases are presented followed by a re-introduction of a light "wave (cycle)" unit and the clearly defined photon model which is deduced. Also examines omission of the fundamental unit "radon."…

Digital and biological computing in organizations.

PubMed

Kampfner, Roberto R

2002-01-01

Michael Conrad unveiled many of the fundamental characteristics of biological computing. Underlying the behavioral variability and the adaptability of biological systems are these characteristics, including the ability of biological information processing to exploit quantum features at the atomic level, the powerful 3-D pattern recognition capabilities of macromolecules, the computational efficiency, and the ability to support biological function. Among many other things, Conrad formalized and explicated the underlying principles of biological adaptability, characterized the differences between biological and digital computing in terms of a fundamental tradeoff between adaptability and programmability of information processing, and discussed the challenges of interfacing digital computers and human society. This paper is about the encounter of biological and digital computing. The focus is on the nature of the biological information processing infrastructure of organizations and how it can be extended effectively with digital computing. In order to achieve this goal effectively, however, we need to embed properly digital computing into the information processing aspects of human and social behavior and intelligence, which are fundamentally biological. Conrad's legacy provides a firm, strong, and inspiring foundation for this endeavor.

Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation of solidification of pure metal.

PubMed

Shibuta, Yasushi; Sakane, Shinji; Miyoshi, Eisuke; Okita, Shin; Takaki, Tomohiro; Ohno, Munekazu

2017-04-05

Can completely homogeneous nucleation occur? Large scale molecular dynamics simulations performed on a graphics-processing-unit rich supercomputer can shed light on this long-standing issue. Here, a billion-atom molecular dynamics simulation of homogeneous nucleation from an undercooled iron melt reveals that some satellite-like small grains surrounding previously formed large grains exist in the middle of the nucleation process, which are not distributed uniformly. At the same time, grains with a twin boundary are formed by heterogeneous nucleation from the surface of the previously formed grains. The local heterogeneity in the distribution of grains is caused by the local accumulation of the icosahedral structure in the undercooled melt near the previously formed grains. This insight is mainly attributable to the multi-graphics processing unit parallel computation combined with the rapid progress in high-performance computational environments.Nucleation is a fundamental physical process, however it is a long-standing issue whether completely homogeneous nucleation can occur. Here the authors reveal, via a billion-atom molecular dynamics simulation, that local heterogeneity exists during homogeneous nucleation in an undercooled iron melt.

Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

PubMed Central

Stetsovych, Oleksandr; Todorović, Milica; Shimizu, Tomoko K.; Moreno, César; Ryan, James William; León, Carmen Pérez; Sagisaka, Keisuke; Palomares, Emilio; Matolín, Vladimír; Fujita, Daisuke; Perez, Ruben; Custance, Oscar

2015-01-01

Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the material's band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials. PMID:26118408

Fragmentation of Newtonian and viscoelastic liquids during rotary atomization

NASA Astrophysics Data System (ADS)

Keshavarz, Bavand; Moore, John; Houze, Eric; Koerner, Michael; McKinley, Gareth; MIT Collaboration; Axalta Coating Systems Collaboration

2015-11-01

Animals drying their wet fur by rapidly shaking their body and rotary atomization in paint coating are just a few examples in which centripetal acceleration is used to disintegrate liquid films into smaller fragments. Narrower size distributions and well-defined geometrical fluid pathlines (similar to the involute of a circle) are the main advantages of this type of atomization as compared to air-assisted atomization. Despite these inherent advantages there is a paucity of fundamental knowledge about the roles of fluid rheology in this process. We study the effects of viscosity by performing rotary atomization tests on silicone oils with a wide range of viscosities (1-1000 mPa.s). Viscoelastic effects are also probed by spraying solutions of polyethylene oxide (PEO) dissolved in water at different concentrations. Our results show that understanding the effects of liquid properties on the instabilities that control rotary atomization (primarily Rayleigh-Taylor instability during the ligament formation followed by Rayleigh-Plateau instability during droplet pinch-off) can help us understand the resulting fragment size distributions.

Tunable Catalysis of Water to Peroxide with Anionic, Cationic, and Neutral Atomic Au, Ag, Pd, Rh, and Os

NASA Astrophysics Data System (ADS)

Suggs, K.; Kiros, F.; Tesfamichael, A.; Felfli, Z.; Msezane, A. Z.

2015-05-01

Fundamental anionic, cationic, and neutral atomic metal predictions utilizing density functional theory calculations validate the recent discovery identifying the interplay between Regge resonances and Ramsauer-Townsend minima obtained through complex angular momentum analysis as the fundamental atomic mechanism underlying nanoscale catalysis. Here we investigate the optimization of the catalytic behavior of Au, Ag, Pd, Rh, and Os atomic systems via polarization effects and conclude that anionic atomic systems are optimal and therefore ideal for catalyzing the oxidation of water to peroxide, with anionic Os being the best candidate. The discovery that cationic systems increase the transition energy barrier in the synthesis of peroxide could be important as inhibitors in controlling and regulating catalysis. These findings usher in a fundamental and comprehensive atomic theoretical framework for the generation of tunable catalytic systems. The ultimate aim is to design giant atomic catalysts and sensors, in the context of the recently synthesized tri-metal Ag@Au@Pt and bimetal Ag@Au nanoparticles for greatly enhanced plasmonic properties and improved chemical stability for chemical and biological sensing. Research was supported by U.S. DOE Office of Basic Energy Sciences.

Calculation of the factor of the time's relativity in quantum area for different atoms based on the `Substantial motion' theory of Mulla Sadra

NASA Astrophysics Data System (ADS)

Gholibeigian, Hassan

2015-03-01

Iranian Philosopher, Mulla Sadra (1571-1640) in his theory of ``Substantial motion'' emphasized that ``the universe moves in its entity'', and ``the time is the fourth dimension of the universe'' This definition of space-time is proposed by him at three hundred years before Einstein. He argued that the time is magnitude of the motion (momentum) of the matter in its entity. In the other words, the time for each atom (body) is sum of the momentums of its involved fundamental particles. The momentum for each atom is different from the other atoms. In this methodology, by proposing some formulas, we can calculate the time for involved particles' momentum (time) for each atom in a second of the Eastern Time Zone (ETZ). Due to differences between these momentums during a second in ETZ, the time for each atom, will be different from the other atoms. This is the relativity in quantum physics. On the other hand, the God communicates with elementary particles via sub-particles (see my next paper) and transfers the packages (bit) of information and laws to them for processing and selection of their next step. Differences between packages like complexity and velocity of processing during the time, is the second variable in relativity of time for each atom which may be effective on the factor.

Electrostatic atomization--Experiment, theory and industrial applications

NASA Astrophysics Data System (ADS)

Okuda, H.; Kelly, Arnold J.

1996-05-01

Experimental and theoretical research has been initiated at the Princeton Plasma Physics Laboratory on the electrostatic atomization process in collaboration with Charged Injection Corporation. The goal of this collaboration is to set up a comprehensive research and development program on the electrostatic atomization at the Princeton Plasma Physics Laboratory so that both institutions can benefit from the collaboration. Experimental, theoretical and numerical simulation approaches are used for this purpose. An experiment consisting of a capillary sprayer combined with a quadrupole mass filter and a charge detector was installed at the Electrostatic Atomization Laboratory to study fundamental properties of the charged droplets such as the distribution of charges with respect to the droplet radius. In addition, a numerical simulation model is used to study interaction of beam electrons with atmospheric pressure water vapor, supporting an effort to develop an electrostatic water mist fire-fighting nozzle.

Magnetic-field-dependent slow light in strontium atom-cavity system

NASA Astrophysics Data System (ADS)

Liu, Zeng-Xing; Wang, Bao; Kong, Cui; Xiong, Hao; Wu, Ying

2018-03-01

Realizing and controlling a long-lived slow light is of fundamental importance in physics and may find applications in quantum router and quantum information processing. In this work, we propose a feasible scheme to realize the slow light in a strontium atom-cavity system, in which the value of group delay can be continuously adjusted within a range of different Zeeman splittings and vacuum Rabi frequencies by varying the applied static magnetic field and the atom number instead of a strong coherent field. In our scheme, the major limitations of the slow-light structure, namely, dispersion and loss, can be effectively resolved, and so our scheme may help to achieve the practical application of slow light relevant to the optical communication network.

A breadboard of optically-pumped atomic-beam frequency standard for space applications

NASA Astrophysics Data System (ADS)

Berthoud, P.; Ruffieux, R.; Affolderbach, C.; Thomann, P.

2004-06-01

Observatoire de Neuchâtel (ON) has recently started breadboarding activities for an Optically-pumped Space Cesium-beam Atomic Resonator in the frame of an ESA-ARTES 5 project. The goal is to demonstrate a frequency stability approaching σy = 1×10-12 τ-1/2 with the simplest optical scheme (a single optical frequency for both the atomic pumping and detection processes). This development constitutes a fundamental step in the general effort to reduce the mass of the on-board clocks, while keeping or even improving its performances. It will take advantage of previous activities at ON in the late '80 and of the latest progresses in the field of tunable and narrow-band laser diodes.

Search for variation of fundamental constants and violations of fundamental symmetries using isotope comparisons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berengut, J. C.; Flambaum, V. V.; Kava, E. M.

2011-10-15

Atomic microwave clocks based on hyperfine transitions, such as the caesium standard, tick with a frequency that is proportional to the magnetic moment of the nucleus. This magnetic moment varies strongly between isotopes of the same atom, while all atomic electron parameters remain the same. Therefore the comparison of two microwave clocks based on different isotopes of the same atom can be used to constrain variation of fundamental constants. In this paper, we calculate the neutron and proton contributions to the nuclear magnetic moments, as well as their sensitivity to any potential quark-mass variation, in a number of isotopes ofmore » experimental interest including {sup 201,199}Hg and {sup 87,85}Rb, where experiments are underway. We also include a brief treatment of the dependence of the hyperfine transitions to variation in nuclear radius, which in turn is proportional to any change in quark mass. Our calculations of expectation values of proton and neutron spin in nuclei are also needed to interpret measurements of violations of fundamental symmetries.« less

Cold molecules: Progress in quantum engineering of chemistry and quantum matter

NASA Astrophysics Data System (ADS)

Bohn, John L.; Rey, Ana Maria; Ye, Jun

2017-09-01

Cooling atoms to ultralow temperatures has produced a wealth of opportunities in fundamental physics, precision metrology, and quantum science. The more recent application of sophisticated cooling techniques to molecules, which has been more challenging to implement owing to the complexity of molecular structures, has now opened the door to the longstanding goal of precisely controlling molecular internal and external degrees of freedom and the resulting interaction processes. This line of research can leverage fundamental insights into how molecules interact and evolve to enable the control of reaction chemistry and the design and realization of a range of advanced quantum materials.

Synthesis of nanometre-thick MoO3 sheets

NASA Astrophysics Data System (ADS)

Kalantar-Zadeh, Kourosh; Tang, Jianshi; Wang, Minsheng; Wang, Kang L.; Shailos, Alexandros; Galatsis, Kosmas; Kojima, Robert; Strong, Veronica; Lech, Andrew; Wlodarski, Wojtek; Kaner, Richard B.

2010-03-01

The formation of MoO3 sheets of nanoscale thickness is described. They are made from several fundamental sheets of orthorhombic α-MoO3, which can be processed in large quantities via a low cost synthesis route that combines thermal evaporation and mechanical exfoliation. These fundamental sheets consist of double-layers of linked distorted MoO6 octahedra. Atomic force microscopy (AFM) measurements show that the minimum resolvable thickness of these sheets is 1.4 nm which is equivalent to the thickness of two double-layers within one unit cell of the α-MoO3 crystal.

Molecular dynamics simulations investigating consecutive nucleation, solidification and grain growth in a twelve-million-atom Fe-system

NASA Astrophysics Data System (ADS)

Okita, Shin; Verestek, Wolfgang; Sakane, Shinji; Takaki, Tomohiro; Ohno, Munekazu; Shibuta, Yasushi

2017-09-01

Continuous processes of homogeneous nucleation, solidification and grain growth are spontaneously achieved from an undercooled iron melt without any phenomenological parameter in the molecular dynamics (MD) simulation with 12 million atoms. The nucleation rate at the critical temperature is directly estimated from the atomistic configuration by cluster analysis to be of the order of 1034 m-3 s-1. Moreover, time evolution of grain size distribution during grain growth is obtained by the combination of Voronoi and cluster analyses. The grain growth exponent is estimated to be around 0.3 from the geometric average of the grain size distribution. Comprehensive understanding of kinetic properties during continuous processes is achieved in the large-scale MD simulation by utilizing the high parallel efficiency of a graphics processing unit (GPU), which is shedding light on the fundamental aspects of production processes of materials from the atomistic viewpoint.

Precise calibration of few-cycle laser pulses with atomic hydrogen

NASA Astrophysics Data System (ADS)

Wallace, W. C.; Kielpinski, D.; Litvinyuk, I. V.; Sang, R. T.

2017-12-01

Interaction of atoms and molecules with strong electric fields is a fundamental process in many fields of research, particularly in the emerging field of attosecond science. Therefore, understanding the physics underpinning those interactions is of significant interest to the scientific community. One crucial step in this understanding is accurate knowledge of the few-cycle laser field driving the process. Atomic hydrogen (H), the simplest of all atomic species, plays a key role in benchmarking strong-field processes. Its wide-spread use as a testbed for theoretical calculations allows the comparison of approximate theoretical models against nearly-perfect numerical solutions of the three-dimensional time-dependent Schrödinger equation. Until recently, relatively little experimental data in atomic H was available for comparison to these models, and was due mostly due to the difficulty in the construction and use of atomic H sources. Here, we review our most recent experimental results from atomic H interaction with few-cycle laser pulses and how they have been used to calibrate important laser pulse parameters such as peak intensity and the carrier-envelope phase (CEP). Quantitative agreement between experimental data and theoretical predictions for atomic H has been obtained at the 10% uncertainty level, allowing for accurate laser calibration intensity at the 1% level. Using this calibration in atomic H, both accurate CEP data and an intensity calibration standard have been obtained Ar, Kr, and Xe; such gases are in common use for strong-field experiments. This calibration standard can be used by any laboratory using few-cycle pulses in the 1014 W cm-2 intensity regime centered at 800 nm wavelength to accurately calibrate their peak laser intensity to within few-percent precision.

Quantized thermal transport in single-atom junctions

NASA Astrophysics Data System (ADS)

Cui, Longji; Jeong, Wonho; Hur, Sunghoon; Matt, Manuel; Klöckner, Jan C.; Pauly, Fabian; Nielaba, Peter; Cuevas, Juan Carlos; Meyhofer, Edgar; Reddy, Pramod

2017-03-01

Thermal transport in individual atomic junctions and chains is of great fundamental interest because of the distinctive quantum effects expected to arise in them. By using novel, custom-fabricated, picowatt-resolution calorimetric scanning probes, we measured the thermal conductance of gold and platinum metallic wires down to single-atom junctions. Our work reveals that the thermal conductance of gold single-atom junctions is quantized at room temperature and shows that the Wiedemann-Franz law relating thermal and electrical conductance is satisfied even in single-atom contacts. Furthermore, we quantitatively explain our experimental results within the Landauer framework for quantum thermal transport. The experimental techniques reported here will enable thermal transport studies in atomic and molecular chains, which will be key to investigating numerous fundamental issues that thus far have remained experimentally inaccessible.

Mach-Zehnder atom interferometer inside an optical fiber

NASA Astrophysics Data System (ADS)

Xin, Mingjie; Leong, Wuiseng; Chen, Zilong; Lan, Shau-Yu

2017-04-01

Precision measurement with light-pulse grating atom interferometry in free space have been used in the study of fundamental physics and applications in inertial sensing. Recent development of photonic band-gap fibers allows light for traveling in hollow region while preserving its fundamental Gaussian mode. The fibers could provide a very promising platform to transfer cold atoms. Optically guided matter waves inside a hollow-core photonic band-gap fiber can mitigate diffraction limit problem and has the potential to bring research in the field of atomic sensing and precision measurement to the next level of compactness and accuracy. Here, we will show our experimental progress towards an atom interferometer in optical fibers. We designed an atom trapping scheme inside a hollow-core photonic band-gap fiber to create an optical guided matter waves system, and studied the coherence properties of Rubidium atoms in this optical guided system. We also demonstrate a Mach-Zehnder atom interferometer in the optical waveguide. This interferometer is promising for precision measurements and designs of mobile atomic sensors.

A New Type of Atom Interferometry for Testing Fundamental Physics

NASA Astrophysics Data System (ADS)

Lorek, Dennis; Lämmerzahl, Claus; Wicht, Andreas

We present a new type of atom interferometer (AI) that provides a tool for ultra-high precision tests of fundamental physics. As an example we present how an AI based on highly charged hydrogen-like atoms is affected by gravitational waves (GW). A qualitative description of the quantum interferometric measurement principle is given, the modifications in the atomic Hamiltonian caused by the GW are presented, and the size of the resulting frequency shifts in hydrogen-like atoms is estimated. For a GW amplitude of h = 10-23 the frequency shift is of the order of 110μHz for an AI based on a 91-fold charged uranium ion. A frequency difference of this size can be resolved by current AIs in 1s.

Handbook explaining the fundamentals of nuclear and atomic physics

NASA Technical Reports Server (NTRS)

Hanlen, D. F.; Morse, W. J.

1969-01-01

Indoctrination document presents nuclear, reactor, and atomic physics in an easy, straightforward manner. The entire subject of nuclear physics including atomic structure ionization, isotopes, radioactivity, and reactor dynamics is discussed.

A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs.

PubMed

Marchetti, Barbara; Karsili, Tolga N V; Ashfold, Michael N R; Domcke, Wolfgang

2016-07-27

The availability of non-radiative decay mechanisms by which photoexcited molecules can revert to their ground electronic state, without experiencing potentially deleterious chemical transformation, is fundamental to molecular photostability. This Perspective Article combines results of new ab initio electronic structure calculations and prior experimental data in an effort to systematise trends in the non-radiative decay following UV excitation of selected families of heterocyclic molecules. We start with the prototypical uni- and bicyclic molecules phenol and indole, and explore the structural and photophysical consequences of incorporating progressively more nitrogen atoms within the respective ring structures en route to the DNA bases thymine, cytosine, adenine and guanine. For each of the latter, we identify low energy non-radiative decay pathways via conical intersections with the ground state potential energy surface accessed by out-of-plane ring deformations. This is followed by summary descriptions and illustrations of selected rival (electron driven H atom transfer) non-radiative excited state decay processes that demand consideration once the nucleobases are merely components in larger biomolecular systems like nucleosides, and both individual and stacked base-pairs.

Preface: Special Topic on Atomic and Molecular Layer Processing: Deposition, Patterning, and Etching

NASA Astrophysics Data System (ADS)

Engstrom, James R.; Kummel, Andrew C.

2017-02-01

Thin film processing technologies that promise atomic and molecular scale control have received increasing interest in the past several years, as traditional methods for fabrication begin to reach their fundamental limits. Many of these technologies involve at their heart phenomena occurring at or near surfaces, including adsorption, gas-surface reactions, diffusion, desorption, and re-organization of near-surface layers. Moreover many of these phenomena involve not just reactions occurring under conditions of local thermodynamic equilibrium but also the action of energetic species including electrons, ions, and hyperthermal neutrals. There is a rich landscape of atomic and molecular scale interactions occurring in these systems that is still not well understood. In this Special Topic Issue of The Journal of Chemical Physics, we have collected recent representative examples of work that is directed at unraveling the mechanistic details concerning atomic and molecular layer processing, which will provide an important framework from which these fields can continue to develop. These studies range from the application of theory and computation to these systems to the use of powerful experimental probes, such as X-ray synchrotron radiation, probe microscopies, and photoelectron and infrared spectroscopies. The work presented here helps in identifying some of the major challenges and direct future activities in this exciting area of research involving atomic and molecular layer manipulation and fabrication.

Preface: Special Topic on Atomic and Molecular Layer Processing: Deposition, Patterning, and Etching.

PubMed

Engstrom, James R; Kummel, Andrew C

2017-02-07

Thin film processing technologies that promise atomic and molecular scale control have received increasing interest in the past several years, as traditional methods for fabrication begin to reach their fundamental limits. Many of these technologies involve at their heart phenomena occurring at or near surfaces, including adsorption, gas-surface reactions, diffusion, desorption, and re-organization of near-surface layers. Moreover many of these phenomena involve not just reactions occurring under conditions of local thermodynamic equilibrium but also the action of energetic species including electrons, ions, and hyperthermal neutrals. There is a rich landscape of atomic and molecular scale interactions occurring in these systems that is still not well understood. In this Special Topic Issue of The Journal of Chemical Physics, we have collected recent representative examples of work that is directed at unraveling the mechanistic details concerning atomic and molecular layer processing, which will provide an important framework from which these fields can continue to develop. These studies range from the application of theory and computation to these systems to the use of powerful experimental probes, such as X-ray synchrotron radiation, probe microscopies, and photoelectron and infrared spectroscopies. The work presented here helps in identifying some of the major challenges and direct future activities in this exciting area of research involving atomic and molecular layer manipulation and fabrication.

Study of photon emission by electron capture during solar nuclei acceleration, 1: Temperature-dependent cross section for charge changing processes

NASA Technical Reports Server (NTRS)

Perez-Peraza, J.; Alvarez, M.; Laville, A.; Gallegos, A.

1985-01-01

The study of charge changing cross sections of fast ions colliding with matter provides the fundamental basis for the analysis of the charge states produced in such interactions. Given the high degree of complexity of the phenomena, there is no theoretical treatment able to give a comprehensive description. In fact, the involved processes are very dependent on the basic parameters of the projectile, such as velocity charge state, and atomic number, and on the target parameters, the physical state (molecular, atomic or ionized matter) and density. The target velocity, may have also incidence on the process, through the temperature of the traversed medium. In addition, multiple electron transfer in single collisions intrincates more the phenomena. Though, in simplified cases, such as protons moving through atomic hydrogen, considerable agreement has been obtained between theory and experiments However, in general the available theoretical approaches have only limited validity in restricted regions of the basic parameters. Since most measurements of charge changing cross sections are performed in atomic matter at ambient temperature, models are commonly based on the assumption of targets at rest, however at Astrophysical scales, temperature displays a wide range in atomic and ionized matter. Therefore, due to the lack of experimental data , an attempt is made here to quantify temperature dependent cross sections on basis to somewhat arbitrary, but physically reasonable assumptions.

Interference of Single Photons Emitted by Entangled Atoms in Free Space

NASA Astrophysics Data System (ADS)

Araneda, G.; Higginbottom, D. B.; Slodička, L.; Colombe, Y.; Blatt, R.

2018-05-01

The generation and manipulation of entanglement between isolated particles has precipitated rapid progress in quantum information processing. Entanglement is also known to play an essential role in the optical properties of atomic ensembles, but fundamental effects in the controlled emission and absorption from small, well-defined numbers of entangled emitters in free space have remained unobserved. Here we present the control of the emission rate of a single photon from a pair of distant, entangled atoms into a free-space optical mode. Changing the length of the optical path connecting the atoms modulates the single-photon emission rate in the selected mode with a visibility V =0.27 ±0.03 determined by the degree of entanglement shared between the atoms, corresponding directly to the concurrence Cρ=0.31 ±0.10 of the prepared state. This scheme, together with population measurements, provides a fully optical determination of the amount of entanglement. Furthermore, large sensitivity of the interference phase evolution points to applications of the presented scheme in high-precision gradient sensing.

Large Thermal Motion in Halide Perovskites

DOE PAGES

Tyson, T. A.; Gao, W.; Chen, Y. -S.; ...

2017-08-24

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

Atomic-scale identification of Pd leaching in nanoparticle catalyzed C–C coupling: Effects of particle surface disorder

DOE PAGES

Briggs, Beverly D.; Bedford, Nicholas M.; Seifert, Soenke; ...

2015-07-23

C–C coupling reactions are of great importance in the synthesis of numerous organic compounds, where Pd nanoparticle catalyzed systems represent new materials to efficiently drive these reactions. Despite their pervasive utility, the catalytic mechanism of these particle-based reactions remains highly contested. Herein we present evidence of an atom leaching mechanism for Stille coupling under aqueous conditions using peptide-capped Pd nanoparticles. EXAFS analysis revealed Pd coordination changes in the nanoparticle consistent with Pd atom abstraction, where sizing analysis by SAXS confirmed particle size changes associated with a leaching process. It is likely that recently discovered highly disordered surface Pd atoms aremore » the favored catalytic active sites and are leached during oxidative addition, resulting in smaller particles. Thus, probing the mechanism of nanoparticle-driven C–C coupling reactions through structural analyses provides fundamental information concerning these active sites and their reactivity at the atomic-scale, which can be used to improve catalytic performance to meet important sustainability goals.« less

Cross Sections for Ionization of Rare Gas Excimers by Electron Impact and Atomic and Molecular Processes in Excimer Lasers.

DTIC Science & Technology

1980-03-01

6.1 Excimers and Exciplexes : Background 55 6.2 Rare Gas-Halide Lasers 58 6.3 Formation, Quenching and Absorption Processes for Rare Gas-Halides 60... exciplex such as KrF* and XeF* laser systems as well as in various types of gas discharges. They are also of fundamental significance in their own...collision processes contributing to the formation and quenching of the excited molecular states in exciplex (such as KrF ) and excimer (such as Xe2

Ultrafast atomic-scale visualization of acoustic phonons generated by optically excited quantum dots

PubMed Central

Vanacore, Giovanni M.; Hu, Jianbo; Liang, Wenxi; Bietti, Sergio; Sanguinetti, Stefano; Carbone, Fabrizio; Zewail, Ahmed H.

2017-01-01

Understanding the dynamics of atomic vibrations confined in quasi-zero dimensional systems is crucial from both a fundamental point-of-view and a technological perspective. Using ultrafast electron diffraction, we monitored the lattice dynamics of GaAs quantum dots—grown by Droplet Epitaxy on AlGaAs—with sub-picosecond and sub-picometer resolutions. An ultrafast laser pulse nearly resonantly excites a confined exciton, which efficiently couples to high-energy acoustic phonons through the deformation potential mechanism. The transient behavior of the measured diffraction pattern reveals the nonequilibrium phonon dynamics both within the dots and in the region surrounding them. The experimental results are interpreted within the theoretical framework of a non-Markovian decoherence, according to which the optical excitation creates a localized polaron within the dot and a travelling phonon wavepacket that leaves the dot at the speed of sound. These findings indicate that integration of a phononic emitter in opto-electronic devices based on quantum dots for controlled communication processes can be fundamentally feasible. PMID:28852685

Phase Transformations and Microstructural Evolution: Part I

DOE PAGES

Clarke, Amy Jean

2015-08-29

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance, including in extreme environments, of structural metal alloys. In this paper, aspects of phase transformations and microstructural evolution aremore » highlighted from the atomic to the microscopic scale for ferrous and non-ferrous alloys. Many papers from this issue are highlighted with small summaries of their scientific achievements given.« less

Multiscale Modeling of Damage Processes in fcc Aluminum: From Atoms to Grains

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Saether, E.; Yamakov, V.

2008-01-01

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics-based modeling procedures, such as the finite element method (FEM), with MD analyses thereby reducing the region of atomic scale refinement. Such multiscale modeling strategies can be divided into two broad classifications: concurrent multiscale methods that directly incorporate an atomistic domain within a continuum domain and sequential multiscale methods that extract an averaged response from the atomistic simulation for later use as a constitutive model in a continuum analysis.

Growth of vertically aligned nanowires in metal-oxide nanocomposites: kinetic Monte-Carlo modeling versus experiments.

PubMed

Hennes, M; Schuler, V; Weng, X; Buchwald, J; Demaille, D; Zheng, Y; Vidal, F

2018-04-26

We employ kinetic Monte-Carlo simulations to study the growth process of metal-oxide nanocomposites obtained via sequential pulsed laser deposition. Using Ni-SrTiO3 (Ni-STO) as a model system, we reduce the complexity of the computational problem by choosing a coarse-grained approach mapping Sr, Ti and O atoms onto a single effective STO pseudo-atom species. With this ansatz, we scrutinize the kinetics of the sequential synthesis process, governed by alternating deposition and relaxation steps, and analyze the self-organization propensity of Ni atoms into straight vertically aligned nanowires embedded in the surrounding STO matrix. We finally compare the predictions of our binary toy model with experiments and demonstrate that our computational approach captures fundamental aspects of self-assembled nanowire synthesis. Despite its simplicity, our modeling strategy successfully describes the impact of relevant parameters like the concentration or laser frequency on the final nanoarchitecture of metal-oxide thin films grown via pulsed laser deposition.

Optical Pattern Formation in Cold Atoms: Explaining the Red-Blue Asymmetry

NASA Astrophysics Data System (ADS)

Schmittberger, Bonnie; Gauthier, Daniel

2013-05-01

The study of pattern formation in atomic systems has provided new insight into fundamental many-body physics and low-light-level nonlinear optics. Pattern formation in cold atoms in particular is of great interest in condensed matter physics and quantum information science because atoms undergo self-organization at ultralow input powers. We recently reported the first observation of pattern formation in cold atoms but found that our results were not accurately described by any existing theoretical model of pattern formation. Previous models describing pattern formation in cold atoms predict that pattern formation should occur using both red and blue-detuned pump beams, favoring a lower threshold for blue detunings. This disagrees with our recent work, in which we only observed pattern formation with red-detuned pump beams. Previous models also assume a two-level atom, which cannot account for the cooling processes that arise when beams counterpropagate through a cold atomic vapor. We describe a new model for pattern formation that accounts for Sisyphus cooling in multi-level atoms, which gives rise to a new nonlinearity via spatial organization of the atoms. This spatial organization causes a sharp red-blue detuning asymmetry, which agrees well with our experimental observations. We gratefully acknowledge the financial support of the NSF through Grant #PHY-1206040.

Basic Considerations in the Combustion of Hydrocarbon Fuels with Air

NASA Technical Reports Server (NTRS)

Barnett, Henry C; Hibbard, Robert R

1957-01-01

Basic combustion research is collected, collated, and interpreted as it applies to flight propulsion. The following fundamental processes are treated in separate chapters: atomization and evaporation of liquid fuels, flow and mixing processes in combustion chambers, ignition and flammability of hydrocarbon fuels, laminar flame propagation, turbulent flames, flame stabilization, diffusion flames, oscillations in combustors, and smoke and coke formation in the combustion of hydrocarbon-air mixtures. Theoretical background, basic experimental data, and practical significance to flight propulsion are presented.

In situ AFM investigation of electrochemically induced surface-initiated atom-transfer radical polymerization.

PubMed

Li, Bin; Yu, Bo; Zhou, Feng

2013-02-12

Electrochemically induced surface-initiated atom-transfer radical polymerization is traced by in situ AFM technology for the first time, which allows visualization of the polymer growth process. It affords a fundamental insight into the surface morphology and growth mechanism simultaneously. Using this technique, the polymerization kinetics of two model monomers were studied, namely the anionic 3-sulfopropyl methacrylate potassium salt (SPMA) and the cationic 2-(metharyloyloxy)ethyltrimethylammonium chloride (METAC). The growth of METAC is significantly improved by screening the ammonium cations by the addition of ionic liquid electrolyte in aqueous solution. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanofabrication technique based on localized photocatalytic reactions using a TiO2-coated atomic force microscopy probe

NASA Astrophysics Data System (ADS)

Shibata, Takayuki; Iio, Naohiro; Furukawa, Hiromi; Nagai, Moeto

2017-02-01

We performed a fundamental study on the photocatalytic degradation of fluorescently labeled DNA molecules immobilized on titanium dioxide (TiO2) thin films under ultraviolet irradiation. The films were prepared by the electrochemical anodization of Ti thin films sputtered on silicon substrates. We also confirmed that the photocurrent arising from the photocatalytic oxidation of DNA molecules can be detected during this process. We then demonstrated an atomic force microscopy (AFM)-based nanofabrication technique by employing TiO2-coated AFM probes to penetrate living cell membranes under near-physiological conditions for minimally invasive intracellular delivery.

Dissolution Processes at Step Edges of Calcite in Water Investigated by High-Speed Frequency Modulation Atomic Force Microscopy and Simulation.

PubMed

Miyata, Kazuki; Tracey, John; Miyazawa, Keisuke; Haapasilta, Ville; Spijker, Peter; Kawagoe, Yuta; Foster, Adam S; Tsukamoto, Katsuo; Fukuma, Takeshi

2017-07-12

The microscopic understanding of the crystal growth and dissolution processes have been greatly advanced by the direct imaging of nanoscale step flows by atomic force microscopy (AFM), optical interferometry, and X-ray microscopy. However, one of the most fundamental events that govern their kinetics, namely, atomistic events at the step edges, have not been well understood. In this study, we have developed high-speed frequency modulation AFM (FM-AFM) and enabled true atomic-resolution imaging in liquid at ∼1 s/frame, which is ∼50 times faster than the conventional FM-AFM. With the developed AFM, we have directly imaged subnanometer-scale surface structures around the moving step edges of calcite during its dissolution in water. The obtained images reveal that the transition region with typical width of a few nanometers is formed along the step edges. Building upon insight in previous studies, our simulations suggest that the transition region is most likely to be a Ca(OH) 2 monolayer formed as an intermediate state in the dissolution process. On the basis of this finding, we improve our understanding of the atomistic dissolution model of calcite in water. These results open up a wide range of future applications of the high-speed FM-AFM to the studies on various dynamic processes at solid-liquid interfaces with true atomic resolution.

Nano is the next big thing: Revealing geochemical processes with atom probe microscopy

NASA Astrophysics Data System (ADS)

Reddy, Steven; Saxey, David; Rickard, William; Fougerouse, Denis; Peterman, Emily; van Riessen, Arie; Johnson, Tim

2017-04-01

Characterizing compositional variations in minerals at the nanometre scale has the potential to yield fundamental insights into a range of geological processes associated with nucleation and mineral growth and the subsequent modification of mineral compositions by processes such as diffusion, deformation and recrystallization. However, there are few techniques that allow the quantitative measurement of low abundance trace elements and isotopes signatures at the nanometre scale. Atom probe microscopy is one such technique that has been widely used in the study of metals and, in the last decade, semiconductors. However, the development and application of atom probe microscopy to minerals is in its infancy and only a handful of published studies exist in the literature. Here, we provide an introduction to atom probe microscopy and its potential use in geological studies using two examples from both undeformed and deformed zircon (ZrSiO4). In the first example, we use atom probe microscopy to show that discordant data from the core of an undeformed 2.1 Ga zircon, metamorphosed at granulite facies conditions 150 Myr ago, contains distinct Pb reservoirs that represent both the crystallisation and metamorphic 207Pb/206Pb ages. Crystallisation ages are preserved within ˜10 nm diameter dislocation loops that formed during annealing of radiation-damaged zircon during the prograde path of the metamorphic event. The results highlight the potential for resolving the chronology of multiple, distinct Pb reservoirs within isotopically complex zircon and provide an explanation for varying amounts of discordance within individual zircon grains. In the second example, we illustrate complex trace element distributions associated with near-instantaneous deformation of a shocked zircon during the ˜1.17 Ga Stac Fada bolide impact. Substitutional and interstitial ions show correlated segregation, indicating coupling between different mobility mechanisms associated with the rapid formation and migration of oxygen vacancies and dislocations into low energy configurations. The results of these two studies show how quantification of elemental and isotopic variations at the nanoscale may reveal fundamental new insights into geochemical processes that underpin the interpretation of geochemical data collected at the microscale. Furthermore, these new data highlight the important role of crystal defects, even in undeformed zircon, in the chemical modification of zircon, and allow the interplay amongst radiation damage, recrystallization and deformation to be assessed.

Marvels of enzyme catalysis at true atomic resolution: distortions, bond elongations, hidden flips, protonation states and atom identities.

PubMed

Neumann, Piotr; Tittmann, Kai

2014-12-01

Although general principles of enzyme catalysis are fairly well understood nowadays, many important details of how exactly the substrate is bound and processed in an enzyme remain often invisible and as such elusive. In fortunate cases, structural analysis of enzymes can be accomplished at true atomic resolution thus making possible to shed light on otherwise concealed fine-structural traits of bound substrates, intermediates, cofactors and protein groups. We highlight recent structural studies of enzymes using ultrahigh-resolution X-ray protein crystallography showcasing its enormous potential as a tool in the elucidation of enzymatic mechanisms and in unveiling fundamental principles of enzyme catalysis. We discuss the observation of seemingly hyper-reactive, physically distorted cofactors and intermediates with elongated scissile substrate bonds, the detection of 'hidden' conformational and chemical equilibria and the analysis of protonation states with surprising findings. In delicate cases, atomic resolution is required to unambiguously disclose the identity of atoms as demonstrated for the metal cluster in nitrogenase. In addition to the pivotal structural findings and the implications for our understanding of enzyme catalysis, we further provide a practical framework for resolution enhancement through optimized data acquisition and processing. Copyright © 2014 Elsevier Ltd. All rights reserved.

Learning Particle Physics with DIY Play Dough Model

NASA Astrophysics Data System (ADS)

Thunyaniti, T.; Toedtanya, K.; Wuttiprom, S.

2017-09-01

The scientists once believed an atom was the smallest particle, nothing was smaller than this tiny particle. Later, they discovered an atom which consists of protons, neutrons and electrons, and they believed that these particles cannot be broken into the smaller particles. According to advanced technology, the scientists have discovered these particles are consisted of a smaller particles. The new particles are called quarks leptons and bosons which we called fundamental particle. Atomic structure cannot be observed directly, so it is complicated for studying these particles. To help the students get more understanding of its properties, so the researcher develops the learning pattern of fundamental particles from Play Dough Model for high school to graduate students. Four step of learning are 1) to introduces the concept of the fundamental particles discovery 2) to play the Happy Families game by using fundamental particles cards 3) to design and make their particle in a way that reflects its properties 4) to represents their particles from Play Dough Model. After doing activities, the students had more conceptual understanding and better memorability on fundamental particles. In addition, the students gained collaborative working experience among their friends also.

Atomic-level characterization of the structural dynamics of proteins.

PubMed

Shaw, David E; Maragakis, Paul; Lindorff-Larsen, Kresten; Piana, Stefano; Dror, Ron O; Eastwood, Michael P; Bank, Joseph A; Jumper, John M; Salmon, John K; Shan, Yibing; Wriggers, Willy

2010-10-15

Molecular dynamics (MD) simulations are widely used to study protein motions at an atomic level of detail, but they have been limited to time scales shorter than those of many biologically critical conformational changes. We examined two fundamental processes in protein dynamics--protein folding and conformational change within the folded state--by means of extremely long all-atom MD simulations conducted on a special-purpose machine. Equilibrium simulations of a WW protein domain captured multiple folding and unfolding events that consistently follow a well-defined folding pathway; separate simulations of the protein's constituent substructures shed light on possible determinants of this pathway. A 1-millisecond simulation of the folded protein BPTI reveals a small number of structurally distinct conformational states whose reversible interconversion is slower than local relaxations within those states by a factor of more than 1000.

PHARAO flight model: optical on ground performance tests

NASA Astrophysics Data System (ADS)

Lévèque, T.; Faure, B.; Esnault, F. X.; Grosjean, O.; Delaroche, C.; Massonnet, D.; Escande, C.; Gasc, Ph.; Ratsimandresy, A.; Béraud, S.; Buffe, F.; Torresi, P.; Larivière, Ph.; Bernard, V.; Bomer, T.; Thomin, S.; Salomon, C.; Abgrall, M.; Rovera, D.; Moric, I.; Laurent, Ph.

2017-11-01

PHARAO (Projet d'Horloge Atomique par Refroidissement d'Atomes en Orbite), which has been developed by CNES, is the first primary frequency standard specially designed for operation in space. PHARAO is the main instrument of the ESA mission ACES (Atomic Clock Ensemble in Space). ACES payload will be installed on-board the International Space Station (ISS) to perform fundamental physics experiments. All the sub-systems of the Flight Model (FM) have now passed the qualification process and the whole FM of the cold cesium clock, PHARAO, is being assembled and will undergo extensive tests. The expected performances in space are frequency accuracy less than 3.10-16 (with a final goal at 10-16) and frequency stability of 10-13 τ-1/2. In this paper, we focus on the laser source performances and the main results on the cold atom manipulation.

Observing electron localization in a dissociating H2+ molecule in real time

PubMed Central

Xu, H.; Li, Zhichao; He, Feng; Wang, X.; Atia-Tul-Noor, A.; Kielpinski, D.; Sang, R. T.; Litvinyuk, I. V.

2017-01-01

Dissociation of diatomic molecules with odd number of electrons always causes the unpaired electron to localize on one of the two resulting atomic fragments. In the simplest diatomic molecule H2+ dissociation yields a hydrogen atom and a proton with the sole electron ending up on one of the two nuclei. That is equivalent to breaking of a chemical bond—the most fundamental chemical process. Here we observe such electron localization in real time by performing a pump–probe experiment. We demonstrate that in H2+ electron localization is complete in just 15 fs when the molecule’s internuclear distance reaches 8 atomic units. The measurement is supported by a theoretical simulation based on numerical solution of the time-dependent Schrödinger equation. This observation advances our understanding of detailed dynamics of molecular dissociation. PMID:28621332

Spray combustion under oscillatory pressure conditions

NASA Technical Reports Server (NTRS)

Jacobs, H. R.; Santoro, R. J.

1991-01-01

The performance and stability of liquid rocket engines is often argued to be significantly impacted by atomization and droplet vaporization processes. In particular, combustion instability phenomena may result from the interactions between the oscillating pressure field present in the rocket combustor and the fuel and oxidizer injection process. Few studies have been conducted to examine the effects of oscillating pressure fields on spray formation and its evolution under rocket engine conditions. The pressure study is intended to address the need for such studies. In particular, two potentially important phenomena are addressed in the present effort. The first involves the enhancement of the atomization process for a liquid jet subjected to an oscillating pressure field of known frequency and amplitude. The objective of this part of the study is to examine the coupling between the pressure field and or the resulting periodically perturbed velocity field on the breakup of the liquid jet. In particular, transverse mode oscillations are of interest since such modes are considered of primary importance in combustion instability phenomena. The second aspect of the project involves the effects of an oscillating pressure on droplet coagulation and secondary atomization. The objective of this study is to examine the conditions under which phenomena following the atomization process are affected by perturbations to the pressure or velocity fields. Both coagulation and represent a coupling mechanism between the pressure field and the energy release process in rocket combustors. It is precisely this coupling which drives combustion instability phenomena. Consequently, the present effort is intended to provide the fundamental insights needed to evaluate these processes as important mechanisms in liquid rocket instability phenomena.

Nanoscale wear as a stress-assisted chemical reaction

NASA Astrophysics Data System (ADS)

Jacobs, Tevis D. B.; Carpick, Robert W.

2013-02-01

Wear of sliding contacts leads to energy dissipation and device failure, resulting in massive economic and environmental costs. Typically, wear phenomena are described empirically, because physical and chemical interactions at sliding interfaces are not fully understood at any length scale. Fundamental insights from individual nanoscale contacts are crucial for understanding wear at larger length scales, and to enable reliable nanoscale devices, manufacturing and microscopy. Observable nanoscale wear mechanisms include fracture and plastic deformation, but recent experiments and models propose another mechanism: wear via atom-by-atom removal (`atomic attrition'), which can be modelled using stress-assisted chemical reaction kinetics. Experimental evidence for this has so far been inferential. Here, we quantitatively measure the wear of silicon--a material relevant to small-scale devices--using in situ transmission electron microscopy. We resolve worn volumes as small as 25 +/- 5 nm3, a factor of 103 lower than is achievable using alternative techniques. Wear of silicon against diamond is consistent with atomic attrition, and inconsistent with fracture or plastic deformation, as shown using direct imaging. The rate of atom removal depends exponentially on stress in the contact, as predicted by chemical rate kinetics. Measured activation parameters are consistent with an atom-by-atom process. These results, by direct observation, establish atomic attrition as the primary wear mechanism of silicon in vacuum at low loads.

A Fundamental Classification of Atomization Processes

DTIC Science & Technology

2007-10-12

spontaneous dewetting [41, 42], the extra surface tension created by the wall contact would slow any breakdown of perforations into droplets thus...important role in the type and size of the disturbance formed. Small defects can lead to spontaneous dewetting where a perforation is formed [41, 42...Films also may ―spontaneously‖ rupture or dewet due to microscopic surface imperfections or forces on a molecular level [41, 42]. Films are

Atomistic investigation of the structural, transport, and mechanical properties of Cu-Zr metallic glasses

NASA Astrophysics Data System (ADS)

Kumar, Mohit

The unique set of mechanical and magnetic properties possessed by metallic glasses has attracted a lot of recent scientific and technological interest. The development of new metallic glass alloys with improved manufacturability, enhanced properties and higher ductility relies on the fundamental understanding of the interconnections between their atomic structure, glass forming ability (GFA), transport properties, and elastic and plastic deformation mechanisms. This thesis is focused on finding these atomic structure-property relationships in Cu-Zr BMGs using molecular dynamics simulations. In the first study described herein, molecular dynamics simulations of the rapid solidification process over the Cu-Zr compositional domain were conducted to explore inter-dependencies of atomic transport and fragility, elasticity and structural ordering, and GFA. The second study investigated the atomic origins of serration events, which is the characteristic plastic deformation behaviour in BMGs. The combined results of this work suggest that GFA and ductility of metallic glasses could be compositionally tuned.

Direct observation of nanowire growth and decomposition.

PubMed

Rackauskas, Simas; Shandakov, Sergey D; Jiang, Hua; Wagner, Jakob B; Nasibulin, Albert G

2017-09-26

Fundamental concepts of the crystal formation suggest that the growth and decomposition are determined by simultaneous embedding and removal of the atoms. Apparently, by changing the crystal formation conditions one can switch the regimes from the growth to decomposition. To the best of our knowledge, so far this has been only postulated, but never observed at the atomic level. By means of in situ environmental transmission electron microscopy we monitored and examined the atomic layer transformation at the conditions of the crystal growth and its decomposition using CuO nanowires selected as a model object. The atomic layer growth/decomposition was studied by varying an O 2 partial pressure. Three distinct regimes of the atomic layer evolution were experimentally observed: growth, transition and decomposition. The transition regime, at which atomic layer growth/decomposition switch takes place, is characterised by random nucleation of the atomic layers on the growing {111} surface. The decomposition starts on the side of the nanowire by removing the atomic layers without altering the overall crystal structure, which besides the fundamental importance offers new possibilities for the nanowire manipulation. Understanding of the crystal growth kinetics and nucleation at the atomic level is essential for the precise control of 1D crystal formation.

Catalytic synthesis of ammonia-a "never-ending story"?

PubMed

Schlögl, Robert

2003-05-09

Nitrogen atoms are essential for the function of biological molecules and thus are and important component of fertilizers and medicaments. Bonds to nitrogen also find nonbiological uses in dyes, explosives, and resins. The synthesis of all these materials requires ammonia as an activated nitrogen building block. This situation is true for natural processes and the chemical industry. Knowledge of the various techniques for the preparation of ammonia is thus of fundamental importance for chemistry. The Haber-Bosch synthesis was the first heterogeneous catalytic system employed in the chemical industry and is still in use today. Understanding the mechanism and the translation of the knowledge into technical perfection has become a fundamental criterion for scientific development in catalysis research.

First observation of RDEC for gas (N2) targets with F9+

NASA Astrophysics Data System (ADS)

Kumara, P. N. S.; La Mantia, D. S.; Simon, A.; Kayani, A.; Tanis, J. A.

2017-10-01

Radiative double electron capture (RDEC) is a fundamental atomic process predicted to occur in ion-atom collisions. Several attempts were made to show experimental evidence for RDEC after it was introduced theoretically in 1987. The first successful measurements were done for O8+ ions colliding with a thin carbon foil in 2010, followed by measurements for F9+ projectiles incident on carbon. The works reported here are the first observations giving preliminary results for RDEC in collisions of F9+ projectiles with gas (N2) targets. X-rays were observed in the region of interest and an estimation of RDEC cross section was calculated. These cross sections are compared with recent theoretical calculations.

International Conference on Vacuum Ultraviolet Radiation Physics, 8th, Lunds Universitet, Sweden, Aug. 4-8, 1986, Proceedings

NASA Technical Reports Server (NTRS)

Nilsson, Per-Olof (Editor); Nordgren, Joseph (Editor)

1987-01-01

The interactions of VUV radiation with solids are explored in reviews and reports of recent theoretical and experimental investigations from the fields of atomic and molecular physics, solid-state physics, and VUV instrumentation. Topics examined include photoabsorption and photoionization, multiphoton processes, plasma physics, VUV lasers, time-resolved spectroscopy, synchrotron radiation centers, solid-state spectroscopy, and dynamical processes involving localized levels. Consideration is given to the fundamental principles of photoemission, spin-polarized photoemission, inverse photoemission, semiconductors, organic materials, and adsorbates.

Fundamental Interactions for Atom Interferometry with Ultracold Quantum Gases in a Microgravity Environment

NASA Astrophysics Data System (ADS)

D'Incao, Jose P.; Willians, Jason R.

2015-05-01

Precision atom interferometers (AI) in space are a key element for several applications of interest to NASA. Our proposal for participating in the Cold Atom Laboratory (CAL) onboard the International Space Station is dedicated to mitigating the leading-order systematics expected to corrupt future high-precision AI-based measurements of fundamental physics in microgravity. One important focus of our proposal is to enhance initial state preparation for dual-species AIs. Our proposed filtering scheme uses Feshbach molecular states to create highly correlated mixtures of heteronuclear atomic gases in both their position and momentum distributions. We will detail our filtering scheme along with the main factors that determine its efficiency. We also show that the atomic and molecular heating and loss rates can be mitigated at the unique temperature and density regimes accessible on CAL. This research is supported by the National Aeronautics and Space Administration.

Precision Muonium Spectroscopy

NASA Astrophysics Data System (ADS)

Jungmann, Klaus P.

2016-09-01

The muonium atom is the purely leptonic bound state of a positive muon and an electron. It has a lifetime of 2.2 µs. The absence of any known internal structure provides for precision experiments to test fundamental physics theories and to determine accurate values of fundamental constants. In particular ground state hyperfine structure transitions can be measured by microwave spectroscopy to deliver the muon magnetic moment. The frequency of the 1s-2s transition in the hydrogen-like atom can be determined with laser spectroscopy to obtain the muon mass. With such measurements fundamental physical interactions, in particular quantum electrodynamics, can also be tested at highest precision. The results are important input parameters for experiments on the muon magnetic anomaly. The simplicity of the atom enables further precise experiments, such as a search for muonium-antimuonium conversion for testing charged lepton number conservation and searches for possible antigravity of muons and dark matter.

A model describing intra-granular fission gas behaviour in oxide fuel for advanced engineering tools

NASA Astrophysics Data System (ADS)

Pizzocri, D.; Pastore, G.; Barani, T.; Magni, A.; Luzzi, L.; Van Uffelen, P.; Pitts, S. A.; Alfonsi, A.; Hales, J. D.

2018-04-01

The description of intra-granular fission gas behaviour is a fundamental part of any model for the prediction of fission gas release and swelling in nuclear fuel. In this work we present a model describing the evolution of intra-granular fission gas bubbles in terms of bubble number density and average size, coupled to gas release to grain boundaries. The model considers the fundamental processes of single gas atom diffusion, gas bubble nucleation, re-solution and gas atom trapping at bubbles. The model is derived from a detailed cluster dynamics formulation, yet it consists of only three differential equations in its final form; hence, it can be efficiently applied in engineering fuel performance codes while retaining a physical basis. We discuss improvements relative to previous single-size models for intra-granular bubble evolution. We validate the model against experimental data, both in terms of bubble number density and average bubble radius. Lastly, we perform an uncertainty and sensitivity analysis by propagating the uncertainties in the parameters to model results.

Interstitial Mo-Assisted Photovoltaic Effect in Multilayer MoSe2 Phototransistors.

PubMed

Kim, Sunkook; Maassen, Jesse; Lee, Jiyoul; Kim, Seung Min; Han, Gyuchull; Kwon, Junyeon; Hong, Seongin; Park, Jozeph; Liu, Na; Park, Yun Chang; Omkaram, Inturu; Rhyee, Jong-Soo; Hong, Young Ki; Yoon, Youngki

2018-03-01

Thin-film transistors (TFTs) based on multilayer molybdenum diselenide (MoSe 2 ) synthesized by modified atmospheric pressure chemical vapor deposition (APCVD) exhibit outstanding photoresponsivity (103.1 A W -1 ), while it is generally believed that optical response of multilayer transition metal dichalcogenides (TMDs) is significantly limited due to their indirect bandgap and inefficient photoexcitation process. Here, the fundamental origin of such a high photoresponsivity in the synthesized multilayer MoSe 2 TFTs is sought. A unique structural characteristic of the APCVD-grown MoSe 2 is observed, in which interstitial Mo atoms exist between basal planes, unlike usual 2H phase TMDs. Density functional theory calculations and photoinduced transfer characteristics reveal that such interstitial Mo atoms form photoreactive electronic states in the bandgap. Models indicate that huge photoamplification is attributed to trapped holes in subgap states, resulting in a significant photovoltaic effect. In this study, the fundamental origin of high responsivity with synthetic MoSe 2 phototransistors is identified, suggesting a novel route to high-performance, multifunctional 2D material devices for future wearable sensor applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Studying fundamental physics using quantum enabled technologies with trapped molecular ions

NASA Astrophysics Data System (ADS)

Segal, D. M.; Lorent, V.; Dubessy, R.; Darquié, B.

2018-03-01

The text below was written during two visits that Daniel Segal made at Université Paris 13. Danny stayed at Laboratoire de Physique des Lasers the summers of 2008 and 2009 to participate in the exploration of a novel lead in the field of ultra-high resolution spectroscopy. Our idea was to probe trapped molecular ions using Quantum Logic Spectroscopy (QLS) in order to advance our understanding of a variety of fundamental processes in nature. At that time, QLS, a ground-breaking spectroscopic technique, had only been demonstrated with atomic ions. Our ultimate goals were new approaches to the observation of parity violation in chiral molecules and tests of time variations of the fundamental constants. This text is the original research proposal written eight years ago. We have added a series of notes to revisit it in the light of what has been since realized in the field.

Comparison of precursor infiltration into polymer thin films via atomic layer deposition and sequential vapor infiltration using in-situ quartz crystal microgravimetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padbury, Richard P.; Jur, Jesse S., E-mail: jsjur@ncsu.edu

Previous research exploring inorganic materials nucleation behavior on polymers via atomic layer deposition indicates the formation of hybrid organic–inorganic materials that form within the subsurface of the polymer. This has inspired adaptations to the process, such as sequential vapor infiltration, which enhances the diffusion of organometallic precursors into the subsurface of the polymer to promote the formation of a hybrid organic–inorganic coating. This work highlights the fundamental difference in mass uptake behavior between atomic layer deposition and sequential vapor infiltration using in-situ methods. In particular, in-situ quartz crystal microgravimetry is used to compare the mass uptake behavior of trimethyl aluminummore » in poly(butylene terephthalate) and polyamide-6 polymer thin films. The importance of trimethyl aluminum diffusion into the polymer subsurface and the subsequent chemical reactions with polymer functional groups are discussed.« less

xLIPA: Promotion of Electrons from the K-shell to 2 GeV using 10 PW Laser Pulses

DTIC Science & Technology

2015-08-19

field [34]. Since then numerous analytical and numerical approaches have been employed with special emphasis on laser photoionization . Besides interest in... photoionization as a fundamental physical process there are many applications for photoelectrons. Knowledge of the electron properties, e.g., energy...Schwinger field. Photoionization of inner-shell electrons in high-Z atoms is another example where relativistic effects are important. Two analytical

Air pollution from aircraft

NASA Technical Reports Server (NTRS)

Heywood, J. B.; Fay, J. A.; Chigier, N. A.

1979-01-01

A series of fundamental problems related to jet engine air pollution and combustion were examined. These include soot formation and oxidation, nitric oxide and carbon monoxide emissions mechanisms, pollutant dispension, flow and combustion characteristics of the NASA swirl can combustor, fuel atomization and fuel-air mixing processes, fuel spray drop velocity and size measurement, ignition and blowout. A summary of this work, and a bibliography of 41 theses and publications which describe this work, with abstracts, is included.

Many-body Tunneling and Nonequilibrium Dynamics of Doublons in Strongly Correlated Quantum Dots.

PubMed

Hou, WenJie; Wang, YuanDong; Wei, JianHua; Zhu, ZhenGang; Yan, YiJing

2017-05-30

Quantum tunneling dominates coherent transport at low temperatures in many systems of great interest. In this work we report a many-body tunneling (MBT), by nonperturbatively solving the Anderson multi-impurity model, and identify it a fundamental tunneling process on top of the well-acknowledged sequential tunneling and cotunneling. We show that the MBT involves the dynamics of doublons in strongly correlated systems. Proportional to the numbers of dynamical doublons, the MBT can dominate the off-resonant transport in the strongly correlated regime. A T 3/2 -dependence of the MBT current on temperature is uncovered and can be identified as a fingerprint of the MBT in experiments. We also prove that the MBT can support the coherent long-range tunneling of doublons, which is well consistent with recent experiments on ultracold atoms. As a fundamental physical process, the MBT is expected to play important roles in general quantum systems.

Ultrathin IBAD MgO films for epitaxial growth on amorphous substrates and sub-50 nm membranes

DOE PAGES

Wang, Siming; Antonakos, C.; Bordel, C.; ...

2016-11-07

Here, a fabrication process has been developed for high energy ion beam assisted deposition (IBAD) biaxial texturing of ultrathin (~1 nm) MgO films, using a high ion-to-atom ratio and post-deposition annealing instead of a homoepitaxial MgO layer. These films serve as the seed layer for epitaxial growth of materials on amorphous substrates such as electron/X-ray transparent membranes or nanocalorimetry devices. Stress measurements and atomic force microscopy of the MgO films reveal decreased stress and surface roughness, while X-ray diffraction of epitaxial overlayers demonstrates the improved crystal quality of films grown epitaxially on IBAD MgO. The process simplifies the synthesis ofmore » IBAD MgO, fundamentally solves the “wrinkle” issue induced by the homoepitaxial layer on sub-50 nm membranes, and enables studies of epitaxial materials in electron/X-ray transmission and nanocalorimetry.« less

Application of atomic force microscopy as a nanotechnology tool in food science.

PubMed

Yang, Hongshun; Wang, Yifen; Lai, Shaojuan; An, Hongjie; Li, Yunfei; Chen, Fusheng

2007-05-01

Atomic force microscopy (AFM) provides a method for detecting nanoscale structural information. First, this review explains the fundamentals of AFM, including principle, manipulation, and analysis. Applications of AFM are then reported in food science and technology research, including qualitative macromolecule and polymer imaging, complicated or quantitative structure analysis, molecular interaction, molecular manipulation, surface topography, and nanofood characterization. The results suggested that AFM could bring insightful knowledge on food properties, and the AFM analysis could be used to illustrate some mechanisms of property changes during processing and storage. However, the current difficulty in applying AFM to food research is lacking appropriate methodology for different food systems. Better understanding of AFM technology and developing corresponding methodology for complicated food systems would lead to a more in-depth understanding of food properties at macromolecular levels and enlarge their applications. The AFM results could greatly improve the food processing and storage technologies.

Advancing the scientific basis of trivalent actinide-lanthanide separations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nash, K.L.

For advanced fuel cycles designed to support transmutation of transplutonium actinides, several options have been demonstrated for process-scale aqueous separations for U, Np, Pu management and for partitioning of trivalent actinides and fission product lanthanides away from other fission products. The more difficult mutual separation of Am/Cm from La-Tb remains the subject of considerable fundamental and applied research. The chemical separations literature teaches that the most productive alternatives to pursue are those based on ligand donor atoms less electronegative than O, specifically N- and S-containing complexants and chloride ion (Cl{sup -}). These 'soft-donor' atoms have exhibited usable selectivity in theirmore » bonding interactions with trivalent actinides relative to lanthanides. In this report, selected features of soft donor reagent design, characterization and application development will be discussed. The roles of thiocyanate, aminopoly-carboxylic acids and lactate in separation processes are detailed. (authors)« less

3D electron tomography of pretreated biomass informs atomic modeling of cellulose microfibrils.

PubMed

Ciesielski, Peter N; Matthews, James F; Tucker, Melvin P; Beckham, Gregg T; Crowley, Michael F; Himmel, Michael E; Donohoe, Bryon S

2013-09-24

Fundamental insights into the macromolecular architecture of plant cell walls will elucidate new structure-property relationships and facilitate optimization of catalytic processes that produce fuels and chemicals from biomass. Here we introduce computational methodology to extract nanoscale geometry of cellulose microfibrils within thermochemically treated biomass directly from electron tomographic data sets. We quantitatively compare the cell wall nanostructure in corn stover following two leading pretreatment strategies: dilute acid with iron sulfate co-catalyst and ammonia fiber expansion (AFEX). Computational analysis of the tomographic data is used to extract mathematical descriptions for longitudinal axes of cellulose microfibrils from which we calculate their nanoscale curvature. These nanostructural measurements are used to inform the construction of atomistic models that exhibit features of cellulose within real, process-relevant biomass. By computational evaluation of these atomic models, we propose relationships between the crystal structure of cellulose Iβ and the nanoscale geometry of cellulose microfibrils.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pind, C.

The SECURE heating reactor was designed by ASEA-ATOM as a realistic alternative for district heating in urban areas and for supplying heat to process industries. SECURE has unique safety characteristics, that are based on fundamental laws of physics. The safety does not depend on active components or operator intervention for shutdown and cooling of the reactor. The inherent safety characteristics of the plant cannot be affected by operator errors. Due to its very low environment impact, it can be sited close to heat consumers. The SECURE heating reactor has been shown to be competitive in comparison with other alternatives formore » heating Helsinki and Seoul. The SECURE heating reactor forms a basis for the power-producing SECURE-P reactor known as PIUS (Process Inherent Ultimate Safety), which is based on the same inherent safety principles. The thermohydraulic function and transient response have been demonstrated in a large electrically heated loop at the ASEA-ATOM laboratories.« less

An optical lattice clock with accuracy and stability at the 10(-18) level.

PubMed

Bloom, B J; Nicholson, T L; Williams, J R; Campbell, S L; Bishof, M; Zhang, X; Zhang, W; Bromley, S L; Ye, J

2014-02-06

Progress in atomic, optical and quantum science has led to rapid improvements in atomic clocks. At the same time, atomic clock research has helped to advance the frontiers of science, affecting both fundamental and applied research. The ability to control quantum states of individual atoms and photons is central to quantum information science and precision measurement, and optical clocks based on single ions have achieved the lowest systematic uncertainty of any frequency standard. Although many-atom lattice clocks have shown advantages in measurement precision over trapped-ion clocks, their accuracy has remained 16 times worse. Here we demonstrate a many-atom system that achieves an accuracy of 6.4 × 10(-18), which is not only better than a single-ion-based clock, but also reduces the required measurement time by two orders of magnitude. By systematically evaluating all known sources of uncertainty, including in situ monitoring of the blackbody radiation environment, we improve the accuracy of optical lattice clocks by a factor of 22. This single clock has simultaneously achieved the best known performance in the key characteristics necessary for consideration as a primary standard-stability and accuracy. More stable and accurate atomic clocks will benefit a wide range of fields, such as the realization and distribution of SI units, the search for time variation of fundamental constants, clock-based geodesy and other precision tests of the fundamental laws of nature. This work also connects to the development of quantum sensors and many-body quantum state engineering (such as spin squeezing) to advance measurement precision beyond the standard quantum limit.

Studying Atomic Physics Using the Nighttime Atmosphere as a Laboratory

NASA Technical Reports Server (NTRS)

Sharpee, B. D.; Slanger, T. G.; Huestis, D. L.; Cosby, P. C.

2006-01-01

A summary of our recent work using terrestrial nightglow spectra, obtained from astronomical instrumentation, to directly measure, or evaluate theoretical values for fundamental parameters of astrophysically important atomic lines.

IAEA activities on atomic, molecular and plasma-material interaction data for fusion

NASA Astrophysics Data System (ADS)

Braams, Bastiaan J.; Chung, Hyun-Kyung

2013-09-01

The IAEA Atomic and Molecular Data Unit (http://www-amdis.iaea.org/) aims to provide internationally evaluated and recommended data for atomic, molecular and plasma-material interaction (A+M+PMI) processes in fusion research. The Unit organizes technical meetings and coordinates an A+M Data Centre Network (DCN) and a Code Centre Network (CCN). In addition the Unit organizes Coordinated Research Projects (CRPs), for which the objectives are mixed between development of new data and evaluation and recommendation of existing data. In the area of A+M data we are placing new emphasis in our meeting schedule on data evaluation and especially on uncertainties in calculated cross section data and the propagation of uncertainties through structure data and fundamental cross sections to effective rate coefficients. Following a recent meeting of the CCN it is intended to use electron scattering on Be, Ne and N2 as exemplars for study of uncertainties and uncertainty propagation in calculated data; this will be discussed further at the presentation. Please see http://www-amdis.iaea.org/CRP/ for more on our active and planned CRPs, which are concerned with atomic processes in core and edge plasma and with plasma interaction with beryllium-based surfaces and with irradiated tungsten.

Atomic-Scale Theoretical Studies of Fundamental Properties and Processes in CHNO Plastic-Bonded Explosive Constituent Materials under Static and Dynamic Compression

NASA Astrophysics Data System (ADS)

Sewell, Thomas

2013-06-01

The results of recent theoretical atomic-scale studies of CHNO plastic-bonded explosive constituent materials will be presented, emphasizing the effects of static and dynamic compression on structure, vibrational spectroscopy, energy redistribution, and dynamic deformation processes. Among the chemical compounds to be discussed are pentaerythritol tetranitrate (PETN), hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX), nitromethane, and hydroxyl-terminated polybutadiene (HTPB). Specific topics to be discussed include pressure-dependent terahertz IR absorption spectra in crystalline PETN and RDX, microscopic material flow characteristics and energy localization during and after pore collapse in shocked (100)-oriented RDX, establishment of local thermodynamic temperature and the approach to thermal equilibrium in shocked (100)-oriented nitromethane, and structural changes and relaxation phenomena that occur in shocked amorphous cis-HTPB. In the case of shocked HTPB, comparisons will be made between results obtained using fully-atomic and coarse-grained (united atom) molecular dynamics force field models. Rather than attempting to discuss any given topic in extended detail, 3-4 vignettes will be presented that highlight outstanding scientific questions and the predictive methods and tools we are developing to answer them. The U.S. Defense Threat Reduction Agency and Office of Naval Research supported this research.

Direct observation and control of hydrogen-bond dynamics using low-temperature scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Kumagai, Takashi

2015-08-01

Hydrogen(H)-bond dynamics are involved in many elementary processes in chemistry and biology. Because of its fundamental importance, a variety of experimental and theoretical approaches have been employed to study the dynamics in gas, liquid, solid phases, and their interfaces. This review describes the recent progress of direct observation and control of H-bond dynamics in several model systems on a metal surface by using low-temperature scanning tunneling microscopy (STM). General aspects of H-bond dynamics and the experimental methods are briefly described in chapter 1 and 2. In the subsequent four chapters, I present direct observation of an H-bond exchange reaction within a single water dimer (chapter 3), a symmetric H bond (chapter 4) and H-atom relay reactions (chapter 5) within water-hydroxyl complexes, and an intramolecular H-atom transfer reaction (tautomerization) within a single porphycene molecule (chapter 6). These results provide novel microscopic insights into H-bond dynamics at the single-molecule level, and highlight significant impact on the process from quantum effects, namely tunneling and zero-point vibration, resulting from the small mass of H atom. Additionally, local environmental effect on H-bond dynamics is also examined by using atom/molecule manipulation with the STM.

Presidential Green Chemistry Challenge: 1998 Academic Award (Trost)

EPA Pesticide Factsheets

Presidential Green Chemistry Challenge 1998 award winner Professor Barry M. Trost, developed the concept of atom economy: chemical reactions that do not waste atoms. This is a fundamental cornerstone of green chemistry.

Spectroscopy of antiprotonic helium atoms and its contribution to the fundamental physical constants

PubMed Central

Hayano, Ryugo S.

2010-01-01

Antiprotonic helium atom, a metastable neutral system consisting of an antiproton, an electron and a helium nucleus, was serendipitously discovered, and has been studied at CERN’s antiproton decelerator facility. Its transition frequencies have recently been measured to nine digits of precision by laser spectroscopy. By comparing these experimental results with three-body QED calculations, the antiproton-to-electron massratio was determined as 1836.152674(5). This result contributed to the CODATA recommended values of the fundamental physical constants. PMID:20075605

Ambient atomic resolution atomic force microscopy with qPlus sensors: Part 1.

PubMed

Wastl, Daniel S

2017-01-01

Atomic force microscopy (AFM) is an enormous tool to observe nature in highest resolution and understand fundamental processes like friction and tribology on the nanoscale. Atomic resolution in highest quality was possible only in well-controlled environments like ultrahigh vacuum (UHV) or controlled buffer environments (liquid conditions) and more specified for long-term high-resolution analysis at low temperatures (∼4 K) in UHV where drift is nearly completely absent. Atomic resolution in these environments is possible and is widely used. However, in uncontrolled environments like air, with all its pollutants and aerosols, unspecified thin liquid films as thin as a single molecular water-layer of 200 pm or thicker condensation films with thicknesses up to hundred nanometer, have been a problem for highest resolution since the invention of the AFM. The goal of true atomic resolution on hydrophilic as well as hydrophobic samples was reached recently. In this manuscript we want to review the concept of ambient AFM with atomic resolution. The reader will be introduced to the phenomenology in ambient conditions and the problems will be explained and analyzed while a method for scan parameter optimization will be explained. Recently developed concepts and techniques how to reach atomic resolution in air and ultra-thin liquid films will be shown and explained in detail, using several examples. Microsc. Res. Tech. 80:50-65, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Kinetic Theory and Simulation of Single-Channel Water Transport

NASA Astrophysics Data System (ADS)

Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

AXSIS: Exploring the frontiers in attosecond X-ray science, imaging and spectroscopy.

PubMed

Kärtner, F X; Ahr, F; Calendron, A-L; Çankaya, H; Carbajo, S; Chang, G; Cirmi, G; Dörner, K; Dorda, U; Fallahi, A; Hartin, A; Hemmer, M; Hobbs, R; Hua, Y; Huang, W R; Letrun, R; Matlis, N; Mazalova, V; Mücke, O D; Nanni, E; Putnam, W; Ravi, K; Reichert, F; Sarrou, I; Wu, X; Yahaghi, A; Ye, H; Zapata, L; Zhang, D; Zhou, C; Miller, R J D; Berggren, K K; Graafsma, H; Meents, A; Assmann, R W; Chapman, H N; Fromme, P

2016-09-01

X-ray crystallography is one of the main methods to determine atomic-resolution 3D images of the whole spectrum of molecules ranging from small inorganic clusters to large protein complexes consisting of hundred-thousands of atoms that constitute the macromolecular machinery of life. Life is not static, and unravelling the structure and dynamics of the most important reactions in chemistry and biology is essential to uncover their mechanism. Many of these reactions, including photosynthesis which drives our biosphere, are light induced and occur on ultrafast timescales. These have been studied with high time resolution primarily by optical spectroscopy, enabled by ultrafast laser technology, but they reduce the vast complexity of the process to a few reaction coordinates. In the AXSIS project at CFEL in Hamburg, funded by the European Research Council, we develop the new method of attosecond serial X-ray crystallography and spectroscopy, to give a full description of ultrafast processes atomically resolved in real space and on the electronic energy landscape, from co-measurement of X-ray and optical spectra, and X-ray diffraction. This technique will revolutionize our understanding of structure and function at the atomic and molecular level and thereby unravel fundamental processes in chemistry and biology like energy conversion processes. For that purpose, we develop a compact, fully coherent, THz-driven atto-second X-ray source based on coherent inverse Compton scattering off a free-electron crystal, to outrun radiation damage effects due to the necessary high X-ray irradiance required to acquire diffraction signals. This highly synergistic project starts from a completely clean slate rather than conforming to the specifications of a large free-electron laser (FEL) user facility, to optimize the entire instrumentation towards fundamental measurements of the mechanism of light absorption and excitation energy transfer. A multidisciplinary team formed by laser-, accelerator,- X-ray scientists as well as spectroscopists and biochemists optimizes X-ray pulse parameters, in tandem with sample delivery, crystal size, and advanced X-ray detectors. Ultimately, the new capability, attosecond serial X-ray crystallography and spectroscopy, will be applied to one of the most important problems in structural biology, which is to elucidate the dynamics of light reactions, electron transfer and protein structure in photosynthesis.

Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D

DOE PAGES

Preciat Gonzalez, German A.; El Assal, Lemmer R. P.; Noronha, Alberto; ...

2017-06-14

The mechanism of each chemical reaction in a metabolic network can be represented as a set of atom mappings, each of which relates an atom in a substrate metabolite to an atom of the same element in a product metabolite. Genome-scale metabolic network reconstructions typically represent biochemistry at the level of reaction stoichiometry. However, a more detailed representation at the underlying level of atom mappings opens the possibility for a broader range of biological, biomedical and biotechnological applications than with stoichiometry alone. Complete manual acquisition of atom mapping data for a genome-scale metabolic network is a laborious process. However, manymore » algorithms exist to predict atom mappings. How do their predictions compare to each other and to manually curated atom mappings? For more than four thousand metabolic reactions in the latest human metabolic reconstruction, Recon 3D, we compared the atom mappings predicted by six atom mapping algorithms. We also compared these predictions to those obtained by manual curation of atom mappings for over five hundred reactions distributed among all top level Enzyme Commission number classes. Five of the evaluated algorithms had similarly high prediction accuracy of over 91% when compared to manually curated atom mapped reactions. On average, the accuracy of the prediction was highest for reactions catalysed by oxidoreductases and lowest for reactions catalysed by ligases. In addition to prediction accuracy, the algorithms were evaluated on their accessibility, their advanced features, such as the ability to identify equivalent atoms, and their ability to map hydrogen atoms. In addition to prediction accuracy, we found that software accessibility and advanced features were fundamental to the selection of an atom mapping algorithm in practice.« less

Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Preciat Gonzalez, German A.; El Assal, Lemmer R. P.; Noronha, Alberto

The mechanism of each chemical reaction in a metabolic network can be represented as a set of atom mappings, each of which relates an atom in a substrate metabolite to an atom of the same element in a product metabolite. Genome-scale metabolic network reconstructions typically represent biochemistry at the level of reaction stoichiometry. However, a more detailed representation at the underlying level of atom mappings opens the possibility for a broader range of biological, biomedical and biotechnological applications than with stoichiometry alone. Complete manual acquisition of atom mapping data for a genome-scale metabolic network is a laborious process. However, manymore » algorithms exist to predict atom mappings. How do their predictions compare to each other and to manually curated atom mappings? For more than four thousand metabolic reactions in the latest human metabolic reconstruction, Recon 3D, we compared the atom mappings predicted by six atom mapping algorithms. We also compared these predictions to those obtained by manual curation of atom mappings for over five hundred reactions distributed among all top level Enzyme Commission number classes. Five of the evaluated algorithms had similarly high prediction accuracy of over 91% when compared to manually curated atom mapped reactions. On average, the accuracy of the prediction was highest for reactions catalysed by oxidoreductases and lowest for reactions catalysed by ligases. In addition to prediction accuracy, the algorithms were evaluated on their accessibility, their advanced features, such as the ability to identify equivalent atoms, and their ability to map hydrogen atoms. In addition to prediction accuracy, we found that software accessibility and advanced features were fundamental to the selection of an atom mapping algorithm in practice.« less

Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D.

PubMed

Preciat Gonzalez, German A; El Assal, Lemmer R P; Noronha, Alberto; Thiele, Ines; Haraldsdóttir, Hulda S; Fleming, Ronan M T

2017-06-14

The mechanism of each chemical reaction in a metabolic network can be represented as a set of atom mappings, each of which relates an atom in a substrate metabolite to an atom of the same element in a product metabolite. Genome-scale metabolic network reconstructions typically represent biochemistry at the level of reaction stoichiometry. However, a more detailed representation at the underlying level of atom mappings opens the possibility for a broader range of biological, biomedical and biotechnological applications than with stoichiometry alone. Complete manual acquisition of atom mapping data for a genome-scale metabolic network is a laborious process. However, many algorithms exist to predict atom mappings. How do their predictions compare to each other and to manually curated atom mappings? For more than four thousand metabolic reactions in the latest human metabolic reconstruction, Recon 3D, we compared the atom mappings predicted by six atom mapping algorithms. We also compared these predictions to those obtained by manual curation of atom mappings for over five hundred reactions distributed among all top level Enzyme Commission number classes. Five of the evaluated algorithms had similarly high prediction accuracy of over 91% when compared to manually curated atom mapped reactions. On average, the accuracy of the prediction was highest for reactions catalysed by oxidoreductases and lowest for reactions catalysed by ligases. In addition to prediction accuracy, the algorithms were evaluated on their accessibility, their advanced features, such as the ability to identify equivalent atoms, and their ability to map hydrogen atoms. In addition to prediction accuracy, we found that software accessibility and advanced features were fundamental to the selection of an atom mapping algorithm in practice.

Mobile bound states of Rydberg excitations in a lattice

NASA Astrophysics Data System (ADS)

Letscher, Fabian; Petrosyan, David

2018-04-01

Spin-lattice models play a central role in the studies of quantum magnetism and nonequilibrium dynamics of spin excitations—-magnons. We show that a spin lattice with strong nearest-neighbor interactions and tunable long-range hopping of excitations can be realized by a regular array of laser-driven atoms, with an excited Rydberg state representing the spin-up state and a Rydberg-dressed ground state corresponding to the spin-down state. We find exotic interaction-bound states of magnons that propagate in the lattice via the combination of resonant two-site hopping and nonresonant second-order hopping processes. Arrays of trapped Rydberg-dressed atoms can thus serve as a flexible platform to simulate and study fundamental few-body dynamics in spin lattices.

Breakthrough: X-ray Laser Captures Atoms and Molecules in Action

ScienceCinema

Bergmann, Uwe

2018-02-13

The Linac Coherent Light Source at SLAC is the world's most powerful X-ray laser. Just two years after turning on in 2009, breakthrough science is emerging from the LCLS at a rapid pace. A recent experiment used the X-rays to create and probe a 2-million-degree piece of matter in a controlled way for the first time-a significant leap toward understanding the extreme conditions found in the hearts of stars and giant planets, and a finding which could further guide research into nuclear fusion, the mechanism that powers the sun. Upcoming experiments will investigate the fundamental, atomic-scale processes behind such phenomena as superconductivity and magnetism, as well as peering into the molecular workings of photosynthesis in plants.

Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili

2003-01-01

We have investigated the energy distributions of the metastable oxygen atoms in the terrestrial thermosphere. Nascent O(lD) atoms play a fundamental role in the energy balance and chemistry of the terrestrial atmosphere, because they are produced by photo-chemical reactions in the excited electronic states and carry significant translational energies.

The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

ERIC Educational Resources Information Center

Teo, Boon K.; Li, Wai-Kee

2011-01-01

This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…

Atomic clocks for geodesy.

PubMed

Mehlstäubler, Tanja E; Grosche, Gesine; Lisdat, Christian; Schmidt, Piet O; Denker, Heiner

2018-06-01

We review experimental progress on optical atomic clocks and frequency transfer, and consider the prospects of using these technologies for geodetic measurements. Today, optical atomic frequency standards have reached relative frequency inaccuracies below 10 -17 , opening new fields of fundamental and applied research. The dependence of atomic frequencies on the gravitational potential makes atomic clocks ideal candidates for the search for deviations in the predictions of Einstein's general relativity, tests of modern unifying theories and the development of new gravity field sensors. In this review, we introduce the concepts of optical atomic clocks and present the status of international clock development and comparison. Besides further improvement in stability and accuracy of today's best clocks, a large effort is put into increasing the reliability and technological readiness for applications outside of specialized laboratories with compact, portable devices. With relative frequency uncertainties of 10 -18 , comparisons of optical frequency standards are foreseen to contribute together with satellite and terrestrial data to the precise determination of fundamental height reference systems in geodesy with a resolution at the cm-level. The long-term stability of atomic standards will deliver excellent long-term height references for geodetic measurements and for the modelling and understanding of our Earth.

Atomic clocks for geodesy

NASA Astrophysics Data System (ADS)

Mehlstäubler, Tanja E.; Grosche, Gesine; Lisdat, Christian; Schmidt, Piet O.; Denker, Heiner

2018-06-01

We review experimental progress on optical atomic clocks and frequency transfer, and consider the prospects of using these technologies for geodetic measurements. Today, optical atomic frequency standards have reached relative frequency inaccuracies below 10‑17, opening new fields of fundamental and applied research. The dependence of atomic frequencies on the gravitational potential makes atomic clocks ideal candidates for the search for deviations in the predictions of Einstein’s general relativity, tests of modern unifying theories and the development of new gravity field sensors. In this review, we introduce the concepts of optical atomic clocks and present the status of international clock development and comparison. Besides further improvement in stability and accuracy of today’s best clocks, a large effort is put into increasing the reliability and technological readiness for applications outside of specialized laboratories with compact, portable devices. With relative frequency uncertainties of 10‑18, comparisons of optical frequency standards are foreseen to contribute together with satellite and terrestrial data to the precise determination of fundamental height reference systems in geodesy with a resolution at the cm-level. The long-term stability of atomic standards will deliver excellent long-term height references for geodetic measurements and for the modelling and understanding of our Earth.

Fundamental Studies on High Temperature Deformation, Recrystallization, and Grain Growth of Two-Phase Materials.

DTIC Science & Technology

1987-02-18

17 ml) Benzalkonium Chloride (50%) 4 35 ml Ethanol The Ti-V alloys were etched with the following ethant for about 10 sec. 4% HNO 3 2% HF Bal. H 0 2...that in the last *step all the alloys were processed in the ax+ 6 field from 973 0K L 0 (700 C). The amount of work given in this step (60% reduction in...interfaces (29). The interfaces move by random jumping of atoms from grain to grain, the driving force for the process being the reduction of free

Modification in structure, phase transition, and magnetic property of metallic gallium driven by atom-molecule interactions.

PubMed

Song, Le Xin; Chen, Jie; Zhu, Lin Hong; Xia, Juan; Yang, Jun

2011-09-05

The present work supports a novel paradigm in which the surface structure and stacking behavior of metallic gallium (Ga) were significantly influenced by the preparation process in the presence of organic small molecules (ethanol, acetone, dichloromethane, and diethyl ether). The extent of the effect strongly depends on the polarity of the molecules. Especially, a series of new atom-molecule aggregates consisting of metallic Ga and macrocyclic hosts (cyclodextrins, CDs) were prepared and characterized by various techniques. A comprehensive comparative analysis between free metallic Ga and the Ga samples obtained provides important and at present rare information on the modification in structure, phase transition, and magnetic property of Ga driven by atom-molecule interactions. First, there is a notable difference in microstructure and electronic structure between the different types of Ga samples. Second, differential scanning calorimetry analysis gives us a complete picture (such as the occurrence of a series of metastable phases of Ga in the presence of CDs) that has allowed us to consider that Ga atoms were protected by the shielding effect provided by the cavities of CDs. Third, the metallic Ga distributed in the aggregates exhibits very interesting magnetic property compared to free metallic Ga, such as the uniform zero-field-cooled and field-cooled magnetization processes, the enhanced responses in magnetization to temperature and applied field, and the fundamental change in shape of magnetic hysteresis loops. These significant changes in structural transformation and physical property of Ga provide a novel insight into the understanding of atom-molecule interactions between metallic atoms and organic molecules.

Charge Transfer Reactions

NASA Astrophysics Data System (ADS)

Dennerl, Konrad

2010-12-01

Charge transfer, or charge exchange, describes a process in which an ion takes one or more electrons from another atom. Investigations of this fundamental process have accompanied atomic physics from its very beginning, and have been extended to astrophysical scenarios already many decades ago. Yet one important aspect of this process, i.e. its high efficiency in generating X-rays, was only revealed in 1996, when comets were discovered as a new class of X-ray sources. This finding has opened up an entirely new field of X-ray studies, with great impact due to the richness of the underlying atomic physics, as the X-rays are not generated by hot electrons, but by ions picking up electrons from cold gas. While comets still represent the best astrophysical laboratory for investigating the physics of charge transfer, various studies have already spotted a variety of other astrophysical locations, within and beyond our solar system, where X-rays may be generated by this process. They range from planetary atmospheres, the heliosphere, the interstellar medium and stars to galaxies and clusters of galaxies, where charge transfer may even be observationally linked to dark matter. This review attempts to put the various aspects of the study of charge transfer reactions into a broader historical context, with special emphasis on X-ray astrophysics, where the discovery of cometary X-ray emission may have stimulated a novel look at our universe.

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations.

PubMed

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F; Spoerke, Erik David; Pan, Wei; Zuo, Jian Min

2016-04-13

Atomic-scale phenomena fundamentally influence materials form and function that makes the ability to locally probe and study these processes critical to advancing our understanding and development of materials. Atomic-scale chemical imaging by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) is a powerful approach to investigate solid crystal structures. Inefficient X-ray emission and collection, however, require long acquisition times (typically hundreds of seconds), making the technique incompatible with electron-beam sensitive materials and study of dynamic material phenomena. Here we describe an atomic-scale STEM-EDS chemical imaging technique that decreases the acquisition time to as little as one second, a reduction of more than 100 times. We demonstrate this new approach using LaAlO3 single crystal and study dynamic phase transformation in beam-sensitive Li[Li0.2Ni0.2Mn0.6]O2 (LNMO) lithium ion battery cathode material. By capturing a series of time-lapsed chemical maps, we show for the first time clear atomic-scale evidence of preferred Ni-mobility in LNMO transformation, revealing new kinetic mechanisms. These examples highlight the potential of this approach toward temporal, atomic-scale mapping of crystal structure and chemistry for investigating dynamic material phenomena.

Innovative quantum technologies for microgravity fundamental physics and biological research

NASA Technical Reports Server (NTRS)

Kierk, I. K.

2002-01-01

This paper presents a new technology program, within the fundamental physics, focusing on four quantum technology areas: quantum atomics, quantum optics, space superconductivity and quantum sensor technology, and quantum field based sensor and modeling technology.

78 FR 36170 - University of Pittsburgh, et al.; Notice of Consolidated Decision on Applications for Duty-Free...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-17

... predicted topological properties of superconductors in two dimensions, to program fundamental couplings at... topological properties of superconductors in two dimensions, to program fundamental couplings at near-atomic...

Toward the Development of a Fundamentally Based Chemical Model for Cyclopentanone: High-Pressure-Limit Rate Constants for H Atom Abstraction and Fuel Radical Decomposition

DOE PAGES

Zhou, Chong-Wen; Simmie, John M.; Pitz, William J.; ...

2016-08-25

Theoretical aspects of the development of a chemical kinetic model for the pyrolysis and combustion of a cyclic ketone, cyclopentanone, are considered. We present calculated thermodynamic and kinetic data for the first time for the principal species including 2- and 3-oxo-cyclopentyl radicals, which are in reasonable agreement with the literature. Furthermore, these radicals can be formed via H atom abstraction reactions by H and Ö atoms and OH, HO 2, and CH 3 radicals, the rate constants of which have been calculated. Abstraction from the β-hydrogen atom is the dominant process when OH is involved, but the reverse holds truemore » for HO 2 radicals. We also determined the subsequent β-scission of the radicals formed, and it is shown that recent tunable VUV photoionization mass spectrometry experiments can be interpreted in this light. The bulk of the calculations used the composite model chemistry G4, which was benchmarked in the simplest case with a coupled cluster treatment, CCSD(T), in the complete basis set limit.« less

Theoretical studies of association and dissociation of Feshbach molecules in a microgravity environment

NASA Astrophysics Data System (ADS)

D'Incao, Jose; Williams, Jason

2017-04-01

NASA's Cold Atom Laboratory (CAL) is a multi-user facility scheduled for launch to the ISS in 2017. Our flight experiments with CAL will characterize and mitigate leading-order systematics in dual-atomic-species atom interferometers in microgravity relevant for future fundamental physics missions in space. As part of the initial state preparation for interferometry studies, here, we study the RF association and dissociation of weakly bound heteronuclear Feshbach molecules for expected parameters relevant for the microgravity environment of CAL. This includes temperatures on the pico-Kelvin range and atomic densities as low as 108/cm3. We show that under such conditions, thermal and loss effects can be greatly suppressed, resulting in high efficiency in both association and dissociation of extremely weakly bound Feshbach molecules and allowing for high accuracy determination coherent properties of such processes. In addition we study the possibility to implement delta-kick cooling techniques for weakly bound heteronuclear molecules and explore numerically other methods for molecular association and dissociation including the effects of three-body interactions. This research is supported by the National Aeronautics and Space Administration.

Microwave-to-optical frequency conversion using a cesium atom coupled to a superconducting resonator

NASA Astrophysics Data System (ADS)

Gard, Bryan T.; Jacobs, Kurt; McDermott, R.; Saffman, M.

2017-07-01

A candidate for converting quantum information from microwave to optical frequencies is the use of a single atom that interacts with a superconducting microwave resonator on one hand and an optical cavity on the other. The large electric dipole moments and microwave transition frequencies possessed by Rydberg states allow them to couple strongly to superconducting devices. Lasers can then be used to connect a Rydberg transition to an optical transition to realize the conversion. Since the fundamental source of noise in this process is spontaneous emission from the atomic levels, the resulting control problem involves choosing the pulse shapes of the driving lasers so as to maximize the transfer rate while minimizing this loss. Here we consider the concrete example of a cesium atom, along with two specific choices for the levels to be used in the conversion cycle. Under the assumption that spontaneous emission is the only significant source of errors, we use numerical optimization to determine the likely rates for reliable quantum communication that could be achieved with this device. These rates are on the order of a few megaqubits per second.

CONFERENCES AND SYMPOSIA: Microscopics of fluctuations of the energy of atoms in solids

NASA Astrophysics Data System (ADS)

Slutsker, A. I.; Mihailin, A. I.; Slutsker, I. A.

1994-04-01

Internal atomic-molecular vibrational dynamics of solids gives rise to short-lived localised states of atoms with a much higher energy or amplitude of vibrations, i.e., it gives rise to fluctuations. These fluctuations play the dominant role in a variety of physical processes, which include diffusion, evaporation, plastic deformation, highly elastic deformation of polymers, fracture, chemical reactions, electronic transi-tions, biological functions, and many others. The essentials of the fluctuation origin of these processes are given in the classical papers of Ya I Frenkel'. The microscopics of fluctuations of the energy of atoms has begun to develop successfully. The present paper provides a brief historical introduction, which is followed by the first results (obtained by computer simulation) that can account for the detailed characteristics of fluctuations: the lifetime of a fluctuation state of atoms, the size of a fluctuation region, and migration of fluctuations. Special attention is given to the mechanism of formation of energy fluctuations. Investigations of fluctuation dynamics in condensed media, regarded as a new and to some extent independent part of the physics of liquids and solids, have been given a decisive start by the fundamental work of Yakov Il'ich Frenkel'. He began his investigations back in the twenties and continued them with outstanding success throughout his life. The study reported below represents the attempt by the present authors to continue the development of the fruitful ideas of Yakov Il'ich.

An Estimation of the Number and Size of Atoms in a Printed Period

ERIC Educational Resources Information Center

Schaefer, Beth; Collett, Edward; Tabor-Morris, Anne; Croman, Joseph

2011-01-01

Elementary school students learn that atoms are very, very small. Students are also taught that atoms (and molecules) are the fundamental constituents of the material world. Numerical values of their size are often given, but, nevertheless, it is difficult to imagine their size relative to one's everyday surroundings. In order for students to…

NOVA SCIENCE UNIT 15, FUNDAMENTAL PARTICLES 4.

ERIC Educational Resources Information Center

1964

THE PRINCIPLES OF ATOMIC STRUCTURE WHICH ARE STRESSED ARE THAT ATOMS ARE MADE UP OF A NUCLEUS WITH A POSITIVE CHARGE, SURROUNDED BY ELECTRONS WITH A NEGATIVE CHARGE, AND THAT THERE IS NO CHANGE IN THE ATOM WHEN THE POSITIVE AND NEGATIVE CHARGES ARE EQUAL. EXPERIMENTS ILLUSTRATE THAT CURRENT ELECTRICITY IS ACTUALLY ELECTRONS IN MOTION, THAT THERE…

Innovative quantum technologies for microgravity fundamental physics and biological research

NASA Technical Reports Server (NTRS)

Kierk, I.; Israelsson, U.; Lee, M.

2001-01-01

This paper presents a new technology program, within the fundamental physics research program, focusing on four quantum technology areas: quantum atomics, quantum optics, space superconductivity and quantum sensor technology, and quantum fluid based sensor and modeling technology.

Lattice Gas Model Based Optimization of Plasma-Surface Processes for GaN-Based Compound Growth

NASA Astrophysics Data System (ADS)

Nonokawa, Kiyohide; Suzuki, Takuma; Kitamori, Kazutaka; Sawada, Takayuki

2001-10-01

Progress of the epitaxial growth technique for GaN-based compounds makes these materials attractive for applications in high temperature/high-power electronic devices as well as in short-wavelength optoelectronic devices. For MBE growth of GaN epilayer, atomic nitrogen is usually supplied from ECR-plasma while atomic Ga is supplied from conventional K-cell. To grow high-quality epilayer, fundamental knowledge of the detailed atomic process, such as adsorption, surface migration, incorporation, desorption and so forth, is required. We have studied the influence of growth conditions on the flatness of the growth front surface and the growth rate using Monte Carlo simulation based on the lattice gas model. Under the fixed Ga flux condition, the lower the nitrogen flux and/or the higher the growth temperature, the better the flatness of the front surface at the sacrifice of the growth rate of the epilayer. When the nitrogen flux is increased, the growth rate reaches saturation value determined from the Ga flux. At a fixed growth temperature, increasing of nitrogen to Ga flux ratio results in rough surface owing to 3-dimensional island formation. Other characteristics of MBE-GaN growth using ECR-plasma can be well reproduced.

Fundamental investigation of the tribological and mechanical responses of materials and nanostructures

NASA Astrophysics Data System (ADS)

Bucholz, Eric W.

In the field of tribology, the ability to predict, and ultimately control, frictional performance is of critical importance for the optimization of tribological systems. As such, understanding the specific mechanisms involved in the lubrication processes for different materials is a fundamental step in tribological system design. In this work, a combination of computational and experimental methods that include classical molecular dynamics (MD) simulations, atomic force microscopy (AFM) experiments, and multivariate statistical analyses provides fundamental insight into the tribological and mechanical properties of carbon-based and inorganic nanostructures, lamellar materials, and inorganic ceramic compounds. One class of materials of modern interest for tribological applications is nanoparticles, which can be employed either as solid lubricating films or as lubricant additives. In experimental systems, however, it is often challenging to attain the in situ observation of tribological interfaces necessary to identify the atomic-level mechanisms involved during lubrication and response to mechanical deformation. Here, classical MD simulations establish the mechanisms occurring during the friction and compression of several types of nanoparticles including carbon nano-onions, amorphous carbon nanoparticles, and inorganic fullerene-like MoS2 nanoparticles. Specifically, the effect of a nanoparticle's structural properties on the lubrication mechanisms of rolling, sliding, and lamellar exfoliation is indicated; the findings quantify the relative impact of each mechanism on the tribological and mechanical properties of these nanoparticles. Beyond identifying the lubrication mechanisms of known lubricating materials, the continual advancement of modern technology necessitates the identification of new candidate materials for use in tribological applications. To this effect, atomic-scale AFM friction experiments on the aluminosilicate mineral pyrophyllite demonstrate that pyrophyllite provides a low friction coefficient and low shear stresses as well as a high threshold to interfacial wear; this suggests the potential for use of pyrophyllite as a lubricious material under specific conditions. Also, a robust and accurate model for estimating the friction coefficients of inorganic ceramic materials that is based on the fundamental relationships between material properties is presented, which was developed using multivariate data mining algorithms. These findings provide the tribological community with a new means of quickly identifying candidate materials that may provide specific frictional properties for desired applications.

Experimental Studies of Fundamental Problems in Quantum Optics

DTIC Science & Technology

1991-04-15

from the Conselho Nacional de Desenvol- atom detunings, A, are fixed and equal to + 320, 0, -320, and vimento Cientifico e Tecnologico (Brazil). We...further that atomic gain or loss will affect the spec- Desenvolvimento Cientifico e Tecnologico (Brazil). 1i. D. Cresser, Phys. Rep. 94, 47 (1983...dressed-atom laser. Because the emission of volvimento Cientifico e Tecnol6gico (Brazil). We thank successive photons is correlated in the dressed-atom

The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation.

PubMed

Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu; Sibik, Juraj; Markl, Daniel; Tan, Nicholas Y; Arslanov, Denis; van der Zande, Wim; Redlich, Britta; Korter, Timothy M; Grohganz, Holger; Löbmann, Korbinian; Rades, Thomas; Elliott, Stephen R; Zeitler, J Axel

2017-11-15

The fundamental origins surrounding the dynamics of disordered solids near their characteristic glass transitions continue to be fiercely debated, even though a vast number of materials can form amorphous solids, including small-molecule organic, inorganic, covalent, metallic, and even large biological systems. The glass-transition temperature, T g , can be readily detected by a diverse set of techniques, but given that these measurement modalities probe vastly different processes, there has been significant debate regarding the question of why T g can be detected across all of them. Here we show clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been proposed previously, we demonstrate, using ab initio molecular-dynamics (AIMD) simulations, that it is of critical importance to carefully consider the complete PES - both the intra-molecular and inter-molecular features - in order to fully understand the entire range of atomic-dynamical processes in disordered solids. Finally, we show that it is possible to utilise this dependence to directly manipulate and harness amorphous dynamics in order to control the behaviour of such solids by using high-powered terahertz pulses to induce crystallisation and preferential crystal-polymorph growth in glasses. Combined, these findings provide compelling evidence that the PES landscape, and the corresponding energy barriers, are the ultimate controlling feature behind the atomic and molecular dynamics of disordered solids, regardless of the frequency at which they occur.

Application of Gas Lasers to Studies of Fundamental Molecular and Atomic Processes.

DTIC Science & Technology

1980-05-12

agreement with the lower for pulse compression . curves of fig. 2a. Eqs two in-phase 2 nsec input pulses .4 of equal area (not shown), the output pulse is...and He, and an Manuscript received December 13, 1974. This work was supported by the Office of Naval Research and the Air Force Cambridge Research...application. Taylor ct al. Preionization is initiated by uv generated from dis- first tried hopcalite in a cw laser but unsuccessfully, charging -150 mJ

Investigation of Fundamental Processes and Crystal-Level Defect Structures in Metal-Loaded High-Explosive Materials under Dynamic Thermo-Mechanical Loads and their Relationships to Impact Survivability of Munitions (Thrust 4, Topic J)

DTIC Science & Technology

2014-06-01

to better represent the interactions at high compression . Monodisperse systems containing 64, 128, and 256 backbone carbon atoms were studied...was observed that for the sensitive orientation only elastic compression occurred, leading to the propagation of a single wave through the material...whereas for the insensitive direction elastic compression at and immediately behind the shock front was followed by inelastic deformation, leading to

Femtojoule-scale all-optical latching and modulation via cavity nonlinear optics.

PubMed

Kwon, Yeong-Dae; Armen, Michael A; Mabuchi, Hideo

2013-11-15

We experimentally characterize Hopf bifurcation phenomena at femtojoule energy scales in a multiatom cavity quantum electrodynamical (cavity QED) system and demonstrate how such behaviors can be exploited in the design of all-optical memory and modulation devices. The data are analyzed by using a semiclassical model that explicitly treats heterogeneous coupling of atoms to the cavity mode. Our results highlight the interest of cavity QED systems for ultralow power photonic signal processing as well as for fundamental studies of mesoscopic nonlinear dynamics.

Brownian dynamics simulation of protein diffusion in crowded environments

NASA Astrophysics Data System (ADS)

Mereghetti, Paolo; Wade, Rebecca C.

2013-02-01

High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. We first describe the development of a Brownian dynamics simulation methodology to investigate the dynamic and structural properties of protein solutions using atomic-detail protein structures. We then discuss insights obtained from applying this approach to simulation of solutions of a range of types of proteins.

Lithium Assisted “Dissolution–Alloying” Synthesis of Nanoalloys from Individual Bulk Metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barkholtz, Heather M.; Gallagher, James R.; Li, Tao

2016-04-12

We report new fundamental chemistry involved in the synthesis of bimetallic nanoalloys via dissolving the pure bulk transition metals in molten lithium. It is revealed at the atomic level that when two pure bulk transition metals such as Pd and Pt are placed in molten lithium (similar to 200 degrees C), they undergo a dissolution process in which the metal-metal bonds in pure bulk transition metals are completely ruptured, which results in the existence of individual Pd and Pt atoms surrounded by lithium atoms, as is evident by synchrotron X-ray adsorption techniques. Then, upon the conversion of metal lithium tomore » LiOH in humid air, the Pd and Pt atoms undergo an alloying process to aggregate into nanoalloys. This method was further expanded to include PdZn, which is notoriously difficult to prepare via traditional nanoalloy synthesis methods due to the easily oxidizable Zn component. The constantly reducing environment of metallic Li allowed for preparation of PdZn nanoalloys with minimal Zn oxidation via dissolution-alloying of individual bulk transition metals in molten lithium. Additionally, this lithium assisted "dissolution-alloying" method bypasses many complications intrinsic to conventional ion reduction-based nanoalloy synthesis including the necessity of ligated metal ions, the use of proper reducing agents and dispersing surfactants, and the presence of segregated phases due to different reduction potentials of the constituent metal ions.« less

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

NASA Astrophysics Data System (ADS)

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

2015-08-01

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a0 to 3.3a0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.

Lithium assisted “dissolution–alloying” synthesis of nanoalloys from individual bulk metals

DOE PAGES

Barkholtz, Heather M.; Gallagher, James R.; Li, Tao; ...

2016-03-27

Here, we report new fundamental chemistry involved in the synthesis of bimetallic nanoalloys via dissolving the pure bulk transition metals in molten lithium. It is revealed at the atomic level that when two pure bulk transition metals such as Pd and Pt are placed in molten lithium (~200°C), they undergo a dissolution process in which the metal-metal bonds in pure bulk transition metals are completely ruptured, resulting in the existence of individual Pd and Pt atoms surrounded by lithium atoms, as is evident by synchrotron Xray adsorption techniques. Then, upon the conversion of metal lithium to LiOH in humid air,more » the Pd and Pt atoms undergo an alloying process, to aggregate into nanoalloys. This method was further expanded to include PdZn, which is notoriously difficult to prepare via traditional nanoalloy synthesis methods due to the easily oxidizable Zn component. The constantly reducing environment of metallic Li allowed for preparation of PdZn nanoalloys with minimal Zn oxidation via dissolution-alloying of individual bulk transition metals in molten lithium. Additionally, this lithium assisted “dissolutionalloying” method bypasses many complications intrinsic to conventional ion reductionbased nanoalloy synthesis including the necessity of ligated metal ions, the use of proper reducing agents and dispersing surfactants, and the presence of segregated phases due to different reduction potentials of the constituent metal ions.« less

A concise review of nanoscopic aspects of bioleaching bacteria-mineral interactions.

PubMed

Diao, Mengxue; Taran, Elena; Mahler, Stephen; Nguyen, Anh V

2014-10-01

Bioleaching is a technology for the recovery of metals from minerals by means of microorganisms, which accelerate the oxidative dissolution of the mineral by regenerating ferric ions. Bioleaching processes take place at the interface of bacteria, sulfide mineral and leaching solution. The fundamental forces between a bioleaching bacterium and mineral surface are central to understanding the intricacies of interfacial phenomena, such as bacterial adhesion or detachment from minerals and the mineral dissolution. This review focuses on the current state of knowledge in the colloidal aspect of bacteria-mineral interactions, particularly for bioleaching bacteria. Special consideration is given to the microscopic structure of bacterial cells and the atomic force microscopy technique used in the quantification of fundamental interaction forces at nanoscale. Copyright © 2014 Elsevier B.V. All rights reserved.

Breakthrough: X-ray Laser Captures Atoms and Molecules in Action

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergmann, Uwe

2012-04-26

The Linac Coherent Light Source at SLAC is the world's most powerful X-ray laser. Just two years after turning on in 2009, breakthrough science is emerging from the LCLS at a rapid pace. A recent experiment used the X-rays to create and probe a 2-million-degree piece of matter in a controlled way for the first time-a significant leap toward understanding the extreme conditions found in the hearts of stars and giant planets, and a finding which could further guide research into nuclear fusion, the mechanism that powers the sun. Upcoming experiments will investigate the fundamental, atomic-scale processes behind such phenomenamore » as superconductivity and magnetism, as well as peering into the molecular workings of photosynthesis in plants.« less

Photoelectrochemical modulation of neuronal activity with free-standing coaxial silicon nanowires

NASA Astrophysics Data System (ADS)

Parameswaran, Ramya; Carvalho-de-Souza, João L.; Jiang, Yuanwen; Burke, Michael J.; Zimmerman, John F.; Koehler, Kelliann; Phillips, Andrew W.; Yi, Jaeseok; Adams, Erin J.; Bezanilla, Francisco; Tian, Bozhi

2018-02-01

Optical methods for modulating cellular behaviour are promising for both fundamental and clinical applications. However, most available methods are either mechanically invasive, require genetic manipulation of target cells or cannot provide subcellular specificity. Here, we address all these issues by showing optical neuromodulation with free-standing coaxial p-type/intrinsic/n-type silicon nanowires. We reveal the presence of atomic gold on the nanowire surfaces, likely due to gold diffusion during the material growth. To evaluate how surface gold impacts the photoelectrochemical properties of single nanowires, we used modified quartz pipettes from a patch clamp and recorded sustained cathodic photocurrents from single nanowires. We show that these currents can elicit action potentials in primary rat dorsal root ganglion neurons through a primarily atomic gold-enhanced photoelectrochemical process.

Not All the Organelles of Living Cells Are Equal! Or Are They? Engaging Students in Deep Learning and Conceptual Change

ERIC Educational Resources Information Center

Cherif, Abour H.; Siuda, JoElla Eaglin; Jedlicka, Dianne M.; Bondoc, Jasper Marc; Movahedzadeh, Farahnaz

2016-01-01

The cell is the fundamental basis for understanding biology much like the atom is the fundamental basis for understanding physics. Understanding biology requires the understanding of the fundamental functions performed by components within each cell. These components, or organelles, responsible for both maintenance and functioning of the cell…

Fundamental limitations of cavity-assisted atom interferometry

NASA Astrophysics Data System (ADS)

Dovale-Álvarez, M.; Brown, D. D.; Jones, A. W.; Mow-Lowry, C. M.; Miao, H.; Freise, A.

2017-11-01

Atom interferometers employing optical cavities to enhance the beam splitter pulses promise significant advances in science and technology, notably for future gravitational wave detectors. Long cavities, on the scale of hundreds of meters, have been proposed in experiments aiming to observe gravitational waves with frequencies below 1 Hz, where laser interferometers, such as LIGO, have poor sensitivity. Alternatively, short cavities have also been proposed for enhancing the sensitivity of more portable atom interferometers. We explore the fundamental limitations of two-mirror cavities for atomic beam splitting, and establish upper bounds on the temperature of the atomic ensemble as a function of cavity length and three design parameters: the cavity g factor, the bandwidth, and the optical suppression factor of the first and second order spatial modes. A lower bound to the cavity bandwidth is found which avoids elongation of the interaction time and maximizes power enhancement. An upper limit to cavity length is found for symmetric two-mirror cavities, restricting the practicality of long baseline detectors. For shorter cavities, an upper limit on the beam size was derived from the geometrical stability of the cavity. These findings aim to aid the design of current and future cavity-assisted atom interferometers.

The potentials and challenges of electron microscopy in the study of atomic chains

NASA Astrophysics Data System (ADS)

Banhart, Florian; Torre, Alessandro La; Romdhane, Ferdaous Ben; Cretu, Ovidiu

2017-04-01

The article is a brief review on the potential of transmission electron microscopy (TEM) in the investigation of atom chains which are the paradigm of a strictly one-dimensional material. After the progress of TEM in the study of new two-dimensional materials, microscopy of free-standing one-dimensional structures is a new challenge with its inherent potentials and difficulties. In-situ experiments in the TEM allowed, for the first time, to generate isolated atomic chains consisting of metals, carbon or boron nitride. Besides having delivered a solid proof for the existence of atomic chains, in-situ TEM studies also enabled us to measure the electrical properties of these fundamental linear structures. While ballistic quantum conductivity is observed in chains of metal atoms, electrical transport in chains of sp1-hybridized carbon is limited by resonant states and reflections at the contacts. Although substantial progress has been made in recent TEM studies of atom chains, fundamental questions have to be answered, concerning the structural stability of the chains, bonding states at the contacts, and the suitability for applications in nanotechnology. Contribution to the topical issue "The 16th European Microscopy Congress (EMC 2016)", edited by Richard Brydson and Pascale Bayle-Guillemaud

Quantum optical tests of complementarity: Quantum eraser and the decoherence time of a local measurement process

NASA Astrophysics Data System (ADS)

Abranyos, Yonatan

1999-10-01

Quantum optical tests of the fundamental principles of quantum mechanics, in particular, complementarity, entanglement and non-locality, are the central themes of this dissertation. A which-path experiment is implemented based on a recent experiment by Eichmann et al. [1] involving two four-level atoms. In the version considered here a continuous Broad Band Excitation field drives the two trapped atoms and, depending on the type of scattering, information about which atom scattered the light is stored in the internal degrees of the atoms. Entanglement of the atoms-photon system is intimately connected to the availability of ``which way'' information. The quantum eraser disentangles the atoms-photon system and consequently ``which way'' information is lost leading to interference. Two different experimental schemes based on the Eichmann et al. experiment are proposed for the implementation of the quantum eraser. The quantum eraser schemes erase the ``which way'' information and interference is observed in the second order correlation function. With a slight modification of the experiment, a scheme that allows to verify recently derived inequalities by Englert [2] in connection with distinguishability and visibility in a two-way interferometer is proposed. These inequalities, in some sense, can be regarded as quantifying the notion of wave-particle duality. The visibility of interference depends on the detected polarization direction of the scattered light, and a reading out of the internal atomic states of one of the two atoms provides for partial ``which way'' information or distinguishability of the two different paths. Finally, the quantum eraser is used to measure the decoherence time of a local measurement process. The experiment proposed is similar to the quantum eraser setup and contains the complete measurement process of system-meter-environment interaction. The decoherence time is quantitatively expressed in the amount of reduction of the visibility in the second order correlation function. In addition, it explores how we can cast the question of quantum coherence of mesoscopic or macroscopic systems with a quantum eraser or in general interference experiments.

Precision muon physics

NASA Astrophysics Data System (ADS)

Gorringe, T. P.; Hertzog, D. W.

2015-09-01

The muon is playing a unique role in sub-atomic physics. Studies of muon decay both determine the overall strength and establish the chiral structure of weak interactions, as well as setting extraordinary limits on charged-lepton-flavor-violating processes. Measurements of the muon's anomalous magnetic moment offer singular sensitivity to the completeness of the standard model and the predictions of many speculative theories. Spectroscopy of muonium and muonic atoms gives unmatched determinations of fundamental quantities including the magnetic moment ratio μμ /μp, lepton mass ratio mμ /me, and proton charge radius rp. Also, muon capture experiments are exploring elusive features of weak interactions involving nucleons and nuclei. We will review the experimental landscape of contemporary high-precision and high-sensitivity experiments with muons. One focus is the novel methods and ingenious techniques that achieve such precision and sensitivity in recent, present, and planned experiments. Another focus is the uncommonly broad and topical range of questions in atomic, nuclear and particle physics that such experiments explore.

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures

NASA Technical Reports Server (NTRS)

Hochhalter, J. D.; Glaessgen, E. H.; Ingraffea, A. R.; Aquino, W. A.

2009-01-01

Fracture processes within a material begin at the nanometer length scale at which the formation, propagation, and interaction of fundamental damage mechanisms occur. Physics-based modeling of these atomic processes quickly becomes computationally intractable as the system size increases. Thus, a multiscale modeling method, based on the aggregation of fundamental damage processes occurring at the nanoscale within a cohesive zone model, is under development and will enable computationally feasible and physically meaningful microscale fracture simulation in polycrystalline metals. This method employs atomistic simulation to provide an optimization loop with an initial prediction of a cohesive zone model (CZM). This initial CZM is then applied at the crack front region within a finite element model. The optimization procedure iterates upon the CZM until the finite element model acceptably reproduces the near-crack-front displacement fields obtained from experimental observation. With this approach, a comparison can be made between the original CZM predicted by atomistic simulation and the converged CZM that is based on experimental observation. Comparison of the two CZMs gives insight into how atomistic simulation scales.

The Spectrum of the Universe.

PubMed

Hill, Ryley; Masui, Kiyoshi W; Scott, Douglas

2018-05-01

Cosmic background (CB) radiation, encompassing the sum of emission from all sources outside our own Milky Way galaxy across the entire electromagnetic spectrum, is a fundamental phenomenon in observational cosmology. Many experiments have been conceived to measure it (or its constituents) since the extragalactic Universe was first discovered; in addition to estimating the bulk (cosmic monopole) spectrum, directional variations have also been detected over a wide range of wavelengths. Here we gather the most recent of these measurements and discuss the current status of our understanding of the CB from radio to γ-ray energies. Using available data in the literature, we piece together the sky-averaged intensity spectrum and discuss the emission processes responsible for what is observed. We examine the effect of perturbations to the continuum spectrum from atomic and molecular line processes and comment on the detectability of these signals. We also discuss how one could, in principle, obtain a complete census of the CB by measuring the full spectrum of each spherical harmonic expansion coefficient. This set of spectra of multipole moments effectively encodes the entire statistical history of nuclear, atomic, and molecular processes in the Universe.

The Spectrum of the Universe

NASA Astrophysics Data System (ADS)

Hill, Ryley; Masui, Kiyoshi W.; Scott, Douglas

2018-05-01

The cosmic background (CB) radiation, encompassing the sum of emission from all sources outside our own Milky Way galaxy across the entire electromagnetic spectrum, is a fundamental phenomenon in observational cosmology. Many experiments have been conceived to measure it (or its constituents) since the extragalactic Universe was first discovered; in addition to estimating the bulk (cosmic monopole) spectrum, directional variations have also been detected over a wide range of wavelengths. Here we gather the most recent of these measurements and discuss the current status of our understanding of the CB from radio to $\\gamma$-ray energies. Using available data in the literature we piece together the sky-averaged intensity spectrum, and discuss the emission processes responsible for what is observed. We examine the effect of perturbations to the continuum spectrum from atomic and molecular line processes and comment on the detectability of these signals. We also discuss how one could in principle obtain a complete census of the CB by measuring the full spectrum of each spherical harmonic expansion coefficient. This set of spectra of multipole moments effectively encodes the entire statistical history of nuclear, atomic and molecular processes in the Universe.

Precision Spectroscopy of Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Hänsch, Theodor W.

1994-08-01

The simple hydrogen atom permits unique confrontations between spectroscopic experiment and fundamental theory. The experimental resolution and measurement accuracy continue to improve exponentially. Recent advances include a new measurement of the Lamb shift of the 1S ground state which provides now the most stringent test of QED for an atom and reveals unexpectedly large two-loop binding corrections. The H-D isotope shift of the extremely narrow 1S-2S two-photon resonance is yielding a new value for the structure radius of the deuteron, in agreement with nuclear theory. The Rydberg constant as determined within 3 parts in 1011 by two independent groups has become the most accurately known of any fundamental constant. Advances in the art of absolute optical frequency measurements will permit still more precise experiments in the near future.

2016 Summer Series - Mark Kasevich: Quantum Mechanics at Macroscopic Scales

NASA Image and Video Library

2016-06-09

The underpinning of the universe is quantum mechanics. It can be used to explain the observed particle and wave nature of atoms. Atom interferometry uses the wave characteristics of atoms to investigate fundamental physics and advance our understanding of the macroscopic world. NASA is working with Dr. Mark Kasevich to apply this technology to advance astrophysics and improve navigation. In his seminar, Kasevich will delve into the world of atom interferometry, gravitational waves and quantum sensors.

EXPERIMENTAL INVESTIGATION OF CRITICAL FUNDAMENTAL ISSUES IN HAZARDOUS WASTE INCINERATION

EPA Science Inventory

The report gives results of a laboratory-scale program investigating several fundamental issues involved in hazardous waste incineration. The key experiment for each study was the measurement of waste destruction behavior in a sub-scale turbulent spray flame. (1) Atomization Qual...

Modal analysis of dislocation vibration and reaction attempt frequency

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-02-04

Transition state theory is a fundamental approach for temporal coarse-graining. It estimates the reaction rate for a transition processes by quantifying the activation free energy and attempt frequency for the unit process. To calculate the transition rate of a gliding dislocation, the attempt frequency is often obtained from line tension estimates of dislocation vibrations, a highly simplified model of dislocation behavior. This work revisits the calculation of attempt frequency for a dislocation bypassing an obstacle, in this case a self-interstitial atom (SIA) loop. First, a direct calculation of the vibrational characteristics of a finite pinned dislocation segment is compared tomore » line tension estimates before moving to the more complex case of dislocation-obstacle bypass. The entropic factor associated with the attempt frequency is calculated for a finite dislocation segment and for an infinite glide dislocation interacting with an SIA loop. Lastly, it is found to be dislocation length independent for three cases of dislocation-self interstitial atom (SIA) loop interactions.« less

Ab initio kinetics and thermal decomposition mechanism of mononitrobiuret and 1,5-dinitrobiuret

NASA Astrophysics Data System (ADS)

Sun, Hongyan; Vaghjiani, Ghanshyam L.

2015-05-01

Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 Å, due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV∞ Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH2 group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C2v symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via Rice-Ramsperger-Kassel-Marcus/multi-well master equation simulations, the results of which reveal the formation of (NO2 + H2O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klapötke et al. [Combust. Flame 139, 358-366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.

Ab Initio Kinetics and Thermal Decomposition Mechanism of Mononitrobiuret and 1,5- Dinitrobiuret

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Hongyan; Vaghjiani, Ghanshyam G.

2015-05-26

Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 Å, due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was foundmore » that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV∞ Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH2 group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C2v symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via Rice–Ramsperger–Kassel–Marcus/multi-well master equation simulations, the results of which reveal the formation of (NO2 + H2O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klapötke et al. [Combust. Flame 139, 358–366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.« less

Ab initio kinetics and thermal decomposition mechanism of mononitrobiuret and 1,5-dinitrobiuret.

PubMed

Sun, Hongyan; Vaghjiani, Ghanshyam L

2015-05-28

Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 Å, due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV∞ Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH2 group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C2v symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via Rice-Ramsperger-Kassel-Marcus/multi-well master equation simulations, the results of which reveal the formation of (NO2 + H2O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klapötke et al. [Combust. Flame 139, 358-366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.

A single-atom quantum memory.

PubMed

Specht, Holger P; Nölleke, Christian; Reiserer, Andreas; Uphoff, Manuel; Figueroa, Eden; Ritter, Stephan; Rempe, Gerhard

2011-05-12

The faithful storage of a quantum bit (qubit) of light is essential for long-distance quantum communication, quantum networking and distributed quantum computing. The required optical quantum memory must be able to receive and recreate the photonic qubit; additionally, it must store an unknown quantum state of light better than any classical device. So far, these two requirements have been met only by ensembles of material particles that store the information in collective excitations. Recent developments, however, have paved the way for an approach in which the information exchange occurs between single quanta of light and matter. This single-particle approach allows the material qubit to be addressed, which has fundamental advantages for realistic implementations. First, it enables a heralding mechanism that signals the successful storage of a photon by means of state detection; this can be used to combat inevitable losses and finite efficiencies. Second, it allows for individual qubit manipulations, opening up avenues for in situ processing of the stored quantum information. Here we demonstrate the most fundamental implementation of such a quantum memory, by mapping arbitrary polarization states of light into and out of a single atom trapped inside an optical cavity. The memory performance is tested with weak coherent pulses and analysed using full quantum process tomography. The average fidelity is measured to be 93%, and low decoherence rates result in qubit coherence times exceeding 180  microseconds. This makes our system a versatile quantum node with excellent prospects for applications in optical quantum gates and quantum repeaters.

Nanoscale Subsurface Imaging via Resonant Difference-Frequency Atomic Force Ultrasonic Microscopy

NASA Technical Reports Server (NTRS)

Cantrell, Sean A.; Cantrell, John H.; Lilehei, Peter T.

2007-01-01

A novel scanning probe microscope methodology has been developed that employs an ultrasonic wave launched from the bottom of a sample while the cantilever of an atomic force microscope, driven at a frequency differing from the ultrasonic frequency by the fundamental resonance frequency of the cantilever, engages the sample top surface. The nonlinear mixing of the oscillating cantilever and the ultrasonic wave in the region defined by the cantilever tip-sample surface interaction force generates difference-frequency oscillations at the cantilever fundamental resonance. The resonance-enhanced difference-frequency signals are used to create images of embedded nanoscale features.

Progress in Attosecond Metrology

NASA Astrophysics Data System (ADS)

Kienberger, R.; Krausz, F.

Fundamental processes in atoms, molecules, as well as condensed matter are triggered or mediated by the motion of electrons inside or between atoms. Electronic dynamics on atomic length scales tends to unfold within tens to thousands of attoseconds (1 as = 10-18 s). Recent breakthroughs in laser science are now opening the door to watching and controlling these hitherto inaccessible microscopic dynamics. The key to accessing the attosecond time domain is the control of the electric field of (visible) light, which varies its strength and direction within less than a femtosecond (1 fs = 1000 as). Atoms exposed to a few oscillation cycles of intense laser light are able to emit a single XUV burst lasting less than 1 fs. Full control of the evolution of the electromagnetic field in laser pulses comprising a few wave cycles have recently allowed the reproducible generation and measurement of isolated 250-as XUV pulses, constituting the shortest reproducible events and fastest measurement to date. These tools have enabled us to visualize the oscillating electric field of visible light with an attosecond "oscilloscope" and observing the motion of electrons in and around atoms in real time. Recent experiments hold promise for the development of an attosecond hard X-ray source, which may pave the way toward 4D electron imaging with subatomic resolution in space and time.

Theoretical Study of tip apex electronic structure in Scanning Tunneling Microscope

NASA Astrophysics Data System (ADS)

Choi, Heesung; Huang, Min; Randall, John; Cho, Kyeongjae

2011-03-01

Scanning Tunneling Microscope (STM) has been widely used to explore diverse surface properties with an atomic resolution, and STM tip has played a critical role in controlling surface structures. However, detailed information of atomic and electronic structure of STM tip and the fundamental understanding of STM images are still incomplete. Therefore, it is important to develop a comprehensive understanding of the electronic structure of STM tip. We have studied the atomic and electronic structures of STM tip with various transition metals (TMs) by DFT method. The d-electrons of TM tip apex atoms show different orbital states near the Fermi level. We will present comprehensive data of STM tips from our DFT calculation. Verified quantification of the tip electronic structures will lead to fundamental understanding of STM tip structure-property relationship. This work is supported by the DARPA TBN Program and the Texas ETF. DARPA Tip Based Nanofabrication Program and the Emerging Technology Fund of the State of Texas.

The space optical clocks project

NASA Astrophysics Data System (ADS)

Schiller, S.; Tino, G. M.; Lemonde, P.; Sterr, U.; Lisdat, Ch.; Görlitz, A.; Poli, N.; Nevsky, A.; Salomon, C.

2017-11-01

The Space Optical Clocks project aims at operating lattice clocks on the ISS for tests of fundamental physics and for providing high-accuracy comparisons of future terrestrial optical clocks. A pre-phase-A study (2007- 10), funded partially by ESA and DLR, included the implementation of several optical lattice clock systems using Strontium and Ytterbium as atomic species and their characterization. Subcomponents of clock demonstrators with the added specification of transportability and using techniques suitable for later space use, such as all-solid-state lasers, low power consumption, and compact dimensions, have been developed and have been validated. This included demonstration of laser-cooling and magneto-optical trapping of Sr atoms in a compact breadboard apparatus and demonstration of a transportable clock laser with 1 Hz linewidth. With two laboratory Sr lattice clock systems a number of fundamental results were obtained, such as observing atomic resonances with linewidths as low as 3 Hz, non-destructive detection of atom excitation, determination of decoherence effects and reaching a frequency instability of 1×10-16.

Large disparity between gallium and antimony self-diffusion in gallium antimonide.

PubMed

Bracht, H; Nicols, S P; Walukiewicz, W; Silveira, J P; Briones, F; Haller, E E

2000-11-02

The most fundamental mass transport process in solids is self-diffusion. The motion of host-lattice ('self-') atoms in solids is mediated by point defects such as vacancies or interstitial atoms, whose formation and migration enthalpies determine the kinetics of this thermally activated process. Self-diffusion studies also contribute to the understanding of the diffusion of impurities, and a quantitative understanding of self- and foreign-atom diffusion in semiconductors is central to the development of advanced electronic devices. In the past few years, self-diffusion studies have been performed successfully with isotopically controlled semiconductor heterostructures of germanium, silicon, gallium arsenide and gallium phosphide. Self-diffusion studies with isotopically controlled GaAs and GaP have been restricted to Ga self-diffusion, as only Ga has two stable isotopes, 69Ga and 71Ga. Here we report self-diffusion studies with an isotopically controlled multilayer structure of crystalline GaSb. Two stable isotopes exist for both Ga and Sb, allowing the simultaneous study of diffusion on both sublattices. Our experiments show that near the melting temperature, Ga diffuses more rapidly than Sb by over three orders of magnitude. This surprisingly large difference in atomic mobility requires a physical explanation going beyond standard diffusion models. Combining our data for Ga and Sb diffusion with related results for foreign-atom diffusion in GaSb (refs 8, 9), we conclude that the unusually slow Sb diffusion in GaSb is a consequence of reactions between defects on the Ga and Sb sublattices, which suppress the defects that are required for Sb diffusion.

Characterization and limits of a cold-atom Sagnac interferometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gauguet, A.; Canuel, B.; Leveque, T.

2009-12-15

We present the full evaluation of a cold-atom gyroscope based on atom interferometry. We have performed extensive studies to determine the systematic errors, scale factor and sensitivity. We demonstrate that the acceleration noise can be efficiently removed from the rotation signal, allowing us to reach the fundamental limit of the quantum projection noise for short term measurements. The technical limits to the long term sensitivity and accuracy have been identified, clearing the way for the next generation of ultrasensitive atom gyroscopes.

THE DYNAMICS OF HYDROGEN ATOM ABSTRACTION FROM POLYATOMIC MOLECULES.

DOE Office of Scientific and Technical Information (OSTI.GOV)

LIU,X.; SUITS,A.G.

2002-11-21

The hydrogen atom abstraction reaction is an important fundamental process that is extensively involved in atmospheric and combustion chemistry. The practical significance of this type of reaction with polyatomic hydrocarbons is manifest, which has led to many kinetics studies. The detailed understanding of these reactions requires corresponding dynamics studies. However, in comparison to the A + HX {radical} AH + X reactions, the study of the dynamics of A + HR {yields} AH + R reactions is much more difficult, both experimentally and theoretically (here and in the following, A stands for an atom, X stands for a halogen atom,more » and R stands for a polyatomic hydrocarbon radical). The complication stems from the structured R, in contrast to the structureless X. First of all, there are many internal degrees of freedom in R that can participate in the reaction. In addition, there are different carbon sites from which an H atom can be abstracted, and the dynamics are correspondingly different; there are also multiple identical carbon sites in HR and in the picture of a local reaction, there exist competitions between neighboring H atoms, and so on. Despite this complexity, there have been continuing efforts to obtain insight into the dynamics of these reactions. In this chapter, some examples are presented, including the reactions of ground state H, Cl, and O atoms, with particular focus on our recent work using imaging to obtain the differential cross sections for these reactions.« less

Experimental methods of molecular matter-wave optics.

PubMed

Juffmann, Thomas; Ulbricht, Hendrik; Arndt, Markus

2013-08-01

We describe the state of the art in preparing, manipulating and detecting coherent molecular matter. We focus on experimental methods for handling the quantum motion of compound systems from diatomic molecules to clusters or biomolecules.Molecular quantum optics offers many challenges and innovative prospects: already the combination of two atoms into one molecule takes several well-established methods from atomic physics, such as for instance laser cooling, to their limits. The enormous internal complexity that arises when hundreds or thousands of atoms are bound in a single organic molecule, cluster or nanocrystal provides a richness that can only be tackled by combining methods from atomic physics, chemistry, cluster physics, nanotechnology and the life sciences.We review various molecular beam sources and their suitability for matter-wave experiments. We discuss numerous molecular detection schemes and give an overview over diffraction and interference experiments that have already been performed with molecules or clusters.Applications of de Broglie studies with composite systems range from fundamental tests of physics up to quantum-enhanced metrology in physical chemistry, biophysics and the surface sciences.Nanoparticle quantum optics is a growing field, which will intrigue researchers still for many years to come. This review can, therefore, only be a snapshot of a very dynamical process.

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy.

PubMed

Loquet, Antoine; Tolchard, James; Berbon, Melanie; Martinez, Denis; Habenstein, Birgit

2017-09-17

Supramolecular protein assemblies play fundamental roles in biological processes ranging from host-pathogen interaction, viral infection to the propagation of neurodegenerative disorders. Such assemblies consist in multiple protein subunits organized in a non-covalent way to form large macromolecular objects that can execute a variety of cellular functions or cause detrimental consequences. Atomic insights into the assembly mechanisms and the functioning of those macromolecular assemblies remain often scarce since their inherent insolubility and non-crystallinity often drastically reduces the quality of the data obtained from most techniques used in structural biology, such as X-ray crystallography and solution Nuclear Magnetic Resonance (NMR). We here present magic-angle spinning solid-state NMR spectroscopy (SSNMR) as a powerful method to investigate structures of macromolecular assemblies at atomic resolution. SSNMR can reveal atomic details on the assembled complex without size and solubility limitations. The protocol presented here describes the essential steps from the production of 13 C/ 15 N isotope-labeled macromolecular protein assemblies to the acquisition of standard SSNMR spectra and their analysis and interpretation. As an example, we show the pipeline of a SSNMR structural analysis of a filamentous protein assembly.

Communication: Fitting potential energy surfaces with fundamental invariant neural network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shao, Kejie; Chen, Jun; Zhao, Zhiqiang

A more flexible neural network (NN) method using the fundamental invariants (FIs) as the input vector is proposed in the construction of potential energy surfaces for molecular systems involving identical atoms. Mathematically, FIs finitely generate the permutation invariant polynomial (PIP) ring. In combination with NN, fundamental invariant neural network (FI-NN) can approximate any function to arbitrary accuracy. Because FI-NN minimizes the size of input permutation invariant polynomials, it can efficiently reduce the evaluation time of potential energy, in particular for polyatomic systems. In this work, we provide the FIs for all possible molecular systems up to five atoms. Potential energymore » surfaces for OH{sub 3} and CH{sub 4} were constructed with FI-NN, with the accuracy confirmed by full-dimensional quantum dynamic scattering and bound state calculations.« less

The polarization and the fundamental sensitivity of 39K (133Cs)-85Rb-4He hybrid optical pumping spin exchange relaxation free atomic magnetometers.

PubMed

Liu, Jian-Hua; Jing, Dong-Yang; Wang, Liang-Liang; Li, Yang; Quan, Wei; Fang, Jian-Cheng; Liu, Wu-Ming

2017-07-28

The hybrid optical pumping spin exchange relaxation free (SERF) atomic magnetometers can realize ultrahigh sensitivity measurement of magnetic field and inertia. We have studied the 85 Rb polarization of two types of hybrid optical pumping SERF magnetometers based on 39 K- 85 Rb- 4 He and 133 Cs- 85 Rb- 4 He respectively. Then we found that 85 Rb polarization varies with the number density of buffer gas 4 He and quench gas N 2 , pumping rate of pump beam and cell temperature respectively, which will provide an experimental guide for the design of the magnetometer. We obtain a general formula on the fundamental sensitivity of the hybrid optical pumping SERF magnetometer due to shot-noise. The formula describes that the fundamental sensitivity of the magnetometer varies with the number density of buffer gas and quench gas, the pumping rate of pump beam, external magnetic field, cell effective radius, measurement volume, cell temperature and measurement time. We obtain a highest fundamental sensitivity of 1.5073 aT/Hz 1/2 (1 aT = 10 -18 T) with 39 K- 85 Rb- 4 He magnetometer between above two types of magnetometers when 85 Rb polarization is 0.1116. We estimate the fundamental sensitivity limit of the hybrid optical pumping SERF magnetometer to be superior to 1.8359 × 10 -2 aT/Hz 1/2 , which is higher than the shot-noise-limited sensitivity of 1 aT/Hz 1/2 of K SERF atomic magnetometer.

Large conditional single-photon cross-phase modulation

NASA Astrophysics Data System (ADS)

Beck, Kristin; Hosseini, Mahdi; Duan, Yiheng; Vuletic, Vladan

2016-05-01

Deterministic optical quantum logic requires a nonlinear quantum process that alters the phase of a quantum optical state by π through interaction with only one photon. Here, we demonstrate a large conditional cross-phase modulation between a signal field, stored inside an atomic quantum memory, and a control photon that traverses a high-finesse optical cavity containing the atomic memory. This approach avoids fundamental limitations associated with multimode effects for traveling optical photons. We measure a conditional cross-phase shift of up to π / 3 between the retrieved signal and control photons, and confirm deterministic entanglement between the signal and control modes by extracting a positive concurrence. With a moderate improvement in cavity finesse, our system can reach a coherent phase shift of p at low loss, enabling deterministic and universal photonic quantum logic. Preprint: arXiv:1512.02166 [quant-ph

Quantum coherent control of the photoelectron angular distribution in bichromatic-field ionization of atomic neon

NASA Astrophysics Data System (ADS)

Gryzlova, E. V.; Grum-Grzhimailo, A. N.; Staroselskaya, E. I.; Douguet, N.; Bartschat, K.

2018-01-01

We investigate the coherent control of the photoelectron angular distribution in bichromatic atomic ionization. Neon is selected as target since it is one of the most popular systems in current gas-phase experiments with free-electron lasers (FELSs). In particular, we tackle practical questions, such as the role of the fine-structure splitting, the pulse length, and the intensity. Time-dependent and stationary perturbation theory are employed, and we also solve the time-dependent Schrödinger equation in a single-active electron model. We consider neon ionized by a FEL pulse whose fundamental frequency is in resonance with either 2 p -3 s or 2 p -4 s excitation. The contribution of the nonresonant two-photon process and its potential constructive or destructive role for quantum coherent control is investigated.

Role of catalysts in dehydrogenation of MgH2 nanoclusters

PubMed Central

Larsson, Peter; Araújo, C. Moysés; Larsson, J. Andreas; Jena, Puru; Ahuja, Rajeev

2008-01-01

A fundamental understanding of the role of catalysts in dehydrogenation of MgH2 nanoclusters is provided by carrying out first-principles calculations based on density functional theory. It is shown that the transition metal atoms Ti, V, Fe, and Ni not only lower desorption energies significantly but also continue to attract at least four hydrogen atoms even when the total hydrogen content of the cluster decreases. In particular, Fe is found to migrate from the surface sites to the interior sites during the dehydrogenation process, releasing more hydrogen as it diffuses. This diffusion mechanism may account for the fact that a small amount of catalysts is sufficient to improve the kinetics of MgH2, which is essential for the use of this material for hydrogen storage in fuel-cell applications. PMID:18550815

A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.

PubMed

Nosrati, Meisam; Berbasova, Tetyana; Vasileiou, Chrysoula; Borhan, Babak; Geiger, James H

2016-07-20

The members of the rhodopsin family of proteins are involved in many essential light-dependent processes in biology. Specific photoisomerization of the protein-bound retinylidene PSB at a specified wavelength range of light is at the heart of all of these systems. Nonetheless, it has been difficult to reproduce in an engineered system. We have developed rhodopsin mimics, using intracellular lipid binding protein family members as scaffolds, to study fundamental aspects of protein/chromophore interactions. Herein we describe a system that specifically isomerizes the retinylidene protonated Schiff base both thermally and photochemically. This isomerization has been characterized at atomic resolution by quantitatively interconverting the isomers in the crystal both thermally and photochemically. This event is accompanied by a large pKa change of the imine similar to the pKa changes observed in bacteriorhodopsin and visual opsins during isomerization.

Molecular Beam Studies of Hot Atom Chemical Reactions: Reactive Scattering of Energetic Deuterium Atoms

DOE R&D Accomplishments Database

Continetti, R. E.; Balko, B. A.; Lee, Y. T.

1989-02-01

A brief review of the application of the crossed molecular beams technique to the study of hot atom chemical reactions in the last twenty years is given. Specific emphasis is placed on recent advances in the use of photolytically produced energetic deuterium atoms in the study of the fundamental elementary reactions D + H{sub 2} -> DH + H and the substitution reaction D + C{sub 2}H{sub 2} -> C{sub 2}HD + H. Recent advances in uv laser and pulsed molecular beam techniques have made the detailed study of hydrogen atom reactions under single collision conditions possible.

Creation, Phase Change and Evolution of the Universe Based on the "Convection Bang Hypothesis"

NASA Astrophysics Data System (ADS)

Gholibeigian, Hassan; Amirshahkarami, Abdolazim; Gholibeigian, Kazem

2016-04-01

In our vision, it is believed that creation and phase change of universe and their coupling began by the gigantic Large Scale Forced Convection System (LSFCS) in very high temperature including a swirling wild wind and energetic particles like gravitons. That wind as the creator of the inflation process was carrying many Quantum Convection Loops (QCLs). Those QCLs have been transformed to black holes as the cores of galaxies. Convection Bang (CB) Model for creation, phase change and evolution of the Universe is constituted based on three assumptions as follows: The first is: "Gravity Hypothesis" that describes the gravity fields generation by the LSFCSs of the heat and mass inside the planets, stars, galaxies and clusters. The LSFCS changes the material properties of the domain and produces coupling of the matched electromagnetic and gravity fields. Gravity hypothesis is a new way to understand gravitation phenomenon which is different from the both Newton's law of gravity and Einstein's theory of general relativity approaches [Gholibeigian et. al, AGU Fall Meeting 2015, P11A-2056 ]. The second is: "Substantial Motion" theory of Iranian philosopher, Mulla Sadra (1571/2-1640), which describes space-time, time's relativity for all atoms (bodies) which are different from each other [Gholibeigian, APS April Meeting 2015, abstract #L1.027], atom's (body) volume squeezing, black hole's mass lightening while increases the velocities of its involved masses inward (a paradox with general relativity), and changes of material properties and geometries in speed of near light speed [Gholibeigian, APS March Meeting 2016, abstract #]. The third is: "Animated Sub-particles" model. These sub-particles (sub-strings) are origin of life and creator of the momentums of the fundamental particles and forces, and basic link of the information transfer to them, [Gholibeigian, APS April Meeting 2015, abstract #L1.027]. In this model, there are four proposed animated sub-particles of mater, plant, animal and human in substructure of each fundamental particle (string) as the origins of life and cause of differences between their spins. Material's sub-particle is always on and active (from beginning of CB). When the environmental conditions became ready for creation of each field of the plants, animals and humans, sub-particles of their elementary particles became on and active and then, those elementary particles participated in processes of creation (phase change) in their own fields. Sub-particles lead the fundamental particles in both individually and systematic (nucleons, atoms, molecules, gens, us...) forms. Sub-particles' system is inside of particles' (bodies)' system. Mechanism: Universe has been managed by coupling of these three assumptions in two micro and macro coupling scales. God, as the main source of information, has been communicated with sub-particles and transfers a package (bit) of information and laws (plus standard ethics for human's sub-particles) to each of them from their inside and outside for process and selection (mutation) of the next step of the motion (phase change) and coupling/communication of their fundamental particles with each other in each Plank's time (or smaller scale). This process is causality for particles' motion in quantum scale too [Gholibeigian, APS March Meeting 2015, abstract #V1.023].

University of Maryland MRSEC - Research: IRG1

Science.gov Websites

structure based on fundamental interactions, to device preparation and characterization. Materials systems figure: Electrical current in nanoscale structure perturbed by scattering at atomic scale features on its surfaces. An electrical current in a nanoscale structure is perturbed by scattering at atomic scale

Substrate induced changes in atomically thin 2-dimensional semiconductors: Fundamentals, engineering, and applications

NASA Astrophysics Data System (ADS)

Sun, Yinghui; Wang, Rongming; Liu, Kai

2017-03-01

Substrate has great influences on materials syntheses, properties, and applications. The influences are particularly crucial for atomically thin 2-dimensional (2D) semiconductors. Their thicknesses are less than 1 nm; however, the lateral sizes can reach up to several inches or more. Therefore, these materials must be placed onto a variety of substrates before subsequent post-processing techniques for final electronic or optoelectronic devices. Recent studies reveal that substrates have been employed as ways to modulate the optical, electrical, mechanical, and chemical properties of 2D semiconductors. In this review, we summarize recent progress upon the effects of substrates on properties of 2D semiconductors, mostly focused on 2D transition metal dichalcogenides, through viewpoints of both fundamental physics and device applications. First, we discuss various effects of substrates, including interface strain, charge transfer, dielectric screening, and optical interference. Second, we show the modulation of 2D semiconductors by substrate engineering, including novel substrates (patterned substrates, 2D-material substrates, etc.) and active substrates (phase transition materials, ferroelectric materials, flexible substrates, etc.). Last, we present prospectives and challenges in this research field. This review provides a comprehensive understanding of the substrate effects, and may inspire new ideas of novel 2D devices based on substrate engineering.

Current status and future perspectives of electron interactions with molecules, clusters, surfaces, and interfaces [Workshop on Fundamental challenges in electron-driven chemistry; Workshop on Electron-driven processes: Scientific challenges and technological opportunities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Becker, Kurt H.; McCurdy, C. William; Orlando, Thomas M.

2000-09-01

This report is based largely on presentations and discussions at two workshops and contributions from workshop participants. The workshop on Fundamental Challenges in Electron-Driven Chemistry was held in Berkeley, October 9-10, 1998, and addressed questions regarding theory, computation, and simulation. The workshop on Electron-Driven Processes: Scientific Challenges and Technological Opportunities was held at Stevens Institute of Technology, March 16-17, 2000, and focused largely on experiments. Electron-molecule and electron-atom collisions initiate and drive almost all the relevant chemical processes associated with radiation chemistry, environmental chemistry, stability of waste repositories, plasma-enhanced chemical vapor deposition, plasma processing of materials for microelectronic devices andmore » other applications, and novel light sources for research purposes (e.g. excimer lamps in the extreme ultraviolet) and in everyday lighting applications. The life sciences are a rapidly advancing field where the important role of electron-driven processes is only now beginning to be recognized. Many of the applications of electron-initiated chemical processes require results in the near term. A large-scale, multidisciplinary and collaborative effort should be mounted to solve these problems in a timely way so that their solution will have the needed impact on the urgent questions of understanding the physico-chemical processes initiated and driven by electron interactions.« less

Improved Simulations of Astrophysical Plasmas: Computation of New Atomic Data

NASA Technical Reports Server (NTRS)

Gorczyca, Thomas W.; Korista, Kirk T.

2005-01-01

Our research program is designed to carry out state-of-the-art atomic physics calculations crucial to advancing our understanding of fundamental astrophysical problems. We redress the present inadequacies in the atomic data base along two important areas: dielectronic recombination and inner-shell photoionization and multiple electron ejection/Auger fluorescence therefrom. All of these data are disseminated to the astrophysical community in the proper format for implementation in spectral simulation code.

Final Technical Report for Award DESC0011912, "Trimodal Tapping Mode Atomic Force Microscopy: Simultaneous 4D Mapping of Conservative and Dissipative Probe-Sample Interactions of Energy-Relevant Materials”

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solares, Santiago D.

The final project report covering the period 7/1/14-6/30/17 provides an overview of the technical accomplishments in the areas of (i) fundamental viscoelasticity, (ii) multifrequency atomic force microscopy, and (iii) characterization of energy-relevant materials with atomic force microscopy. A list of publications supported by the project is also provided.

Atomic weights of the elements--Review 2000 (IUPAC Technical Report)

USGS Publications Warehouse

de Laeter, John R.; Böhlke, John Karl; De Bièvre, P.; Hidaka, H.; Peiser, H.S.; Rosman, K.J.R.; Taylor, P.D.P.

2003-01-01

A consistent set of internationally accepted atomic weights has long been an essential aim of the scientific community because of the relevance of these values to science and technology, as well as to trade and commerce subject to ethical, legal, and international standards. The standard atomic weights of the elements are regularly evaluated, recommended, and published in updated tables by the Commission on Atomic Weights and Isotopic Abundances (CAWIA) of the International Union of Pure and Applied Chemistry (IUPAC). These values are invariably associated with carefully evaluated uncertainties. Atomic weights were originally determined by mass ratio measurements coupled with an understanding of chemical stoichiometry, but are now based almost exclusively on knowledge of the isotopic composition (derived from isotope-abundance ratio measurements) and the atomic masses of the isotopes of the elements. Atomic weights and atomic masses are now scaled to a numerical value of exactly 12 for the mass of the carbon isotope of mass number 12. Technological advances in mass spectrometry and nuclear-reaction energies have enabled atomic masses to be determined with a relative uncertainty of better than 1 ×10−7 . Isotope abundances for an increasing number of elements can be measured to better than 1 ×10−3 . The excellent precision of such measurements led to the discovery that many elements, in different specimens, display significant variations in their isotope-abundance ratios, caused by a variety of natural and industrial physicochemical processes. While such variations increasingly place a constraint on the uncertainties with which some standard atomic weights can be stated, they provide numerous opportunities for investigating a range of important phenomena in physical, chemical, cosmological, biological, and industrial processes. This review reflects the current and increasing interest of science in the measured differences between source-specific and even sample-specific atomic weights. These relative comparisons can often be made with a smaller uncertainty than is achieved in the best calibrated “absolute ” (=SI-traceable) atomic-weight determinations. Accurate determinations of the atomic weights of certain elements also influence the values of fundamental constants such as the Avogadro, Faraday, and universal gas constants. This review is in two parts: the first summarizes the development of the science of atomic-weight determinations during the 20th century; the second summarizes the changes and variations that have been recognized in the values and uncertainties of atomic weights, on an element-by-element basis, in the latter part of the 20th century.

Fundamentals of tribology at the atomic level

NASA Technical Reports Server (NTRS)

Ferrante, John; Pepper, Stephen V.

1989-01-01

Tribology, the science and engineering of solid surfaces in moving contact, is a field that encompasses many disciplines: solid state physics, chemistry, materials science, and mechanical engineering. In spite of the practical importance and maturity of the field, the fundamental understanding of basic phenomena has only recently been attacked. An attempt to define some of these problems and indicate some profitable directions for future research is presented. There are three broad classifications: (1) fluid properties (compression, rheology, additives and particulates); (2) material properties of the solids (deformation, defect formation and energy loss mechanisms); and (3) interfacial properties (adhesion, friction chemical reactions, and boundary films). Research in the categories has traditionally been approached by considering macroscopic material properties. Recent activity has shown that some issues can be approached at the atomic level: the atoms in the materials can be manipulated both experimentally and theoretically, and can produce results related to macroscopic phenomena.

Two-band induced superconductivity in single-layer graphene and topological insulator bismuth selenide

NASA Astrophysics Data System (ADS)

Talantsev, E. F.; Crump, W. P.; Tallon, J. L.

2018-01-01

Proximity-induced superconductivity in single-layer graphene (SLG) and in topological insulators represent almost ideal examples of superconductivity in two dimensions. Fundamental mechanisms governing superconductivity in the 2D limit are of central interest for modern condensed-matter physics. To deduce fundamental parameters of superconductor/graphene/superconductor and superconductor/bismuth selenide/superconductor junctions we investigate the self-field critical currents in these devices using the formalism of the Ambegaokar-Baratoff model. Our central finding is that the induced superconducting state in SLG and bismuth selenide each exhibits gapping on two superconducting bands. Based on recent results obtained on ultra-thin films of natural superconductors, including single-atomic layer of iron selenide, double and triple atomic layers of gallium, and several atomic layer tantalum disulphide, we conclude that a two-band induced superconducting state in SLG and bismuth selenide is part of a wider, more general multiple-band phenomenology of currently unknown origin.

The ACES mission: scientific objectives and present status

NASA Astrophysics Data System (ADS)

Cacciapuoti, L.; Dimarcq, N.; Salomon, C.

2017-11-01

"Atomic Clock Ensemble in Space" (ACES) is a mission in fundamental physics that will operate a new generation of atomic clocks in the microgravity environment of the International Space Station (ISS). The ACES clock signal will combine the medium term frequency stability of a space hydrogen maser (SHM) and the long term stability and accuracy of a frequency standard based on cold cesium atoms (PHARAO). Fractional frequency stability and accuracy of few parts in 1016 will be achieved. The on-board time base distributed on Earth via a microwave link (MWL) will be used to test fundamental laws of physics (Einstein's theories of Special and General Relativity, Standard Model Extension, string theories…) and to develop applications in time and frequency metrology, universal time scales, global positioning and navigation, geodesy and gravimetry. After a general overview on the mission concept and its scientific objectives, the present status of ACES instruments and sub-systems will be discussed.

Electronegativity determination of individual surface atoms by atomic force microscopy.

PubMed

Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

2017-04-26

Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale.

Electronegativity determination of individual surface atoms by atomic force microscopy

PubMed Central

Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

2017-01-01

Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale. PMID:28443645

Advances in research on structural characterisation of agricultural products using atomic force microscopy.

PubMed

Liu, Dongli; Cheng, Fang

2011-03-30

Atomic force microscopy (AFM) has many unique features compared with other conventional microscopies, such as high magnification with high resolution, minimal sample preparation, acquiring 2D and 3D images at the same time, observing ongoing processes directly, the possibility of manipulating macromolecules, etc. As a nanotechnology tool, AFM has been used to investigate the nanostructure of materials in many fields. This mini-review focuses mainly on its latest application to characterise the macromolecular nanostructure and surface topography of agricultural products. First the fundamentals of AFM are briefly explained. Then the macromolecular nanostructure information on agricultural products from AFM images is introduced by exploring the structure-function relationship in three aspects: agricultural product processing, agricultural product ripening and storage, and genetic and environmental factors. The surface topography characterisation of agricultural products using AFM is also discussed. The results reveal that AFM could be a powerful nanotechnology tool to acquire a deeper understanding of the mechanisms of structure and quality variations of agricultural products, which could be instructive in improving processing and storage technologies, and AFM is also helpful to reveal the essential nature of a product at nanoscale. Copyright © 2011 Society of Chemical Industry.

THE RADIATIVE NEUTRON CAPTURE ON 2H, 6Li, 7Li, 12C AND 13C AT ASTROPHYSICAL ENERGIES

NASA Astrophysics Data System (ADS)

Dubovichenko, Sergey; Dzhazairov-Kakhramanov, Albert; Burkova, Natalia

2013-05-01

The continued interest in the study of radiative neutron capture on atomic nuclei is due, on the one hand, to the important role played by this process in the analysis of many fundamental properties of nuclei and nuclear reactions, and, on the other hand, to the wide use of the capture cross-section data in the various applications of nuclear physics and nuclear astrophysics, and, also, to the importance of the analysis of primordial nucleosynthesis in the Universe. This paper is devoted to the description of results for the processes of the radiative neutron capture on certain light atomic nuclei at thermal and astrophysical energies. The consideration of these processes is done within the framework of the potential cluster model (PCM), general description of which was given earlier. The methods of usage of the results obtained, based on the phase shift analysis intercluster potentials, are demonstrated in calculations of the radiative capture characteristics. The considered capture reactions are not part of stellar thermonuclear cycles, but involve in the basic reaction chain of primordial nucleosynthesis in the course of the Universe formation.

Atomization and dense-fluid breakup regimes in liquid rocket engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

Atomization and dense-fluid breakup regimes in liquid rocket engines

DOE PAGES

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

2015-04-20

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

Ab initio theory of noble gas atoms in bcc transition metals

DOE PAGES

Jiang, Chao; Zhang, Yongfeng; Gao, Yipeng; ...

2018-01-01

Systematic ab initio calculations based on density functional theory have been performed to gain fundamental understanding of the interactions between noble gas atoms (He, Ne, Ar and Kr) and bcc transition metals in groups 5B (V, Nb and Ta), 6B (Cr, Mo and W) and 8B (Fe).

Fabrication and characterization of CNT-based smart tips for synchrotron assisted STM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Hui; Cummings, Marvin; Camino, Fernando

Determination of chemical composition along with imaging at the atomic level provides critical information towards fundamental understanding of the surface of materials and, hence, yields the capability to design new materials by tailoring their ultimate functionalities. Synchrotron X-ray assisted scanning tunneling microscopy (SX-STM) is a promising new technique to achieve real space chemically specific atomic mapping. Chemical sensitivity of SX-STM relies on excitation of core electrons by incident X-rays when their energy is tuned to an absorption edge of a particular element. However, along with core-level electrons, photoelectrons are also excited, which yield additional current and interfere with the tunnelingmore » current. To reduce the background photoelectron current and to improve ultimate resolution of SX-STM, we have developed and fabricated multiwalled carbon nanotubes (MWCNT) based “smart tips” using plasma enhanced chemical vapor deposition and focused ion beam milling. As a result, the newly developed CNT-based smart tips, characterized step by step by scanning electron microscopy (SEM) during the fabrication process, demonstrate good performance and provide opportunity for realizing atomic chemical mapping.« less

Toward improved understanding and control in analytical atomic spectrometry

NASA Astrophysics Data System (ADS)

Hieftje, Gary M.

1989-01-01

As with most papers which attempt to predict the future, this treatment will begin with a coverage of past events. It will be shown that progress in the field of analytical atomic spectrometry has occurred through a series of steps which involve the addition of new techniques and the occasional displacement of established ones. Because it is difficult or impossible to presage true breakthroughs, this manuscript will focus on how such existing methods can be modified or improved to greatest advantage. The thesis will be that rational improvement can be accomplished most effectively by understanding fundamentally the nature of an instrumental system, a measurement process, and a spectrometric technique. In turn, this enhanced understanding can lead to closer control, from which can spring improved performance. Areas where understanding is now lacking and where control is most greatly needed will be identified and a possible scheme for implementing control procedures will be outlined. As we draw toward the new millennium, these novel procedures seem particularly appealing; new high-speed computers, the availability of expert systems, and our enhanced understanding of atomic spectrometric events combine to make future prospects extremely bright.

Switchable polarization in an unzipped graphene oxide monolayer.

PubMed

Noor-A-Alam, Mohammad; Shin, Young-Han

2016-08-14

Ferroelectricity in low-dimensional oxide materials is generally suppressed at the scale of a few nanometers, and has attracted considerable attention from both fundamental and technological aspects. Graphene is one of the thinnest materials (one atom thick). Therefore, engineering switchable polarization in non-polar pristine graphene could potentially lead to two-dimensional (2D) ferroelectric materials. In the present study, based on density functional theory, we show that an unzipped graphene oxide (UGO) monolayer can exhibit switchable polarization due to its foldable bonds between the oxygen atom and two carbon atoms underneath the oxygen. We find that a free standing UGO monolayer exhibits antiferroelectric switchable polarization. A UGO monolayer can be obtained as an intermediate product during the chemical exfoliation process of graphene. Interestingly, despite its dimensionality, our estimated polarization in a UGO monolayer is comparable to that in bulk ferroelectric materials (e.g., ferroelectric polymers). Our calculations could help realize antiferroelectric switchable polarization in 2D materials, which could find various potential applications in nanoscale devices such as sensors, actuators, and capacitors with high energy-storage density.

Fabrication and characterization of CNT-based smart tips for synchrotron assisted STM

DOE PAGES

Yan, Hui; Cummings, Marvin; Camino, Fernando; ...

2015-08-05

Determination of chemical composition along with imaging at the atomic level provides critical information towards fundamental understanding of the surface of materials and, hence, yields the capability to design new materials by tailoring their ultimate functionalities. Synchrotron X-ray assisted scanning tunneling microscopy (SX-STM) is a promising new technique to achieve real space chemically specific atomic mapping. Chemical sensitivity of SX-STM relies on excitation of core electrons by incident X-rays when their energy is tuned to an absorption edge of a particular element. However, along with core-level electrons, photoelectrons are also excited, which yield additional current and interfere with the tunnelingmore » current. To reduce the background photoelectron current and to improve ultimate resolution of SX-STM, we have developed and fabricated multiwalled carbon nanotubes (MWCNT) based “smart tips” using plasma enhanced chemical vapor deposition and focused ion beam milling. As a result, the newly developed CNT-based smart tips, characterized step by step by scanning electron microscopy (SEM) during the fabrication process, demonstrate good performance and provide opportunity for realizing atomic chemical mapping.« less

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Saether, E.; Glaessgen, E.H.; Yamakov, V.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin; Saether, Erik; Glaessgen, Edward H/.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Proceedings of the 2003 NASA/JPL Workshop on Fundamental Physics in Space

NASA Technical Reports Server (NTRS)

Strayer, Don (Editor)

2003-01-01

The 2003 Fundamental Physics workshop included presentations ranging from forces acting on RNA to properties of clouds of degenerate Fermi atoms, to techniques to probe for a added space-time dimensions, and to flight hardware for low temperature experiments, amongst others. Mark Lee from NASA Headquarters described the new strategic plan that NASA has developed under Administrator Sean O'Keefe's leadership. Mark explained that the Fundamental Physics community now needs to align its research program and the roadmap describing the long-term goals of the program with the NASA plan. Ulf Israelsson of JPL discussed how the rewrite of the roadmap will be implemented under the leadership of the Fundamental Physics Discipline Working Group (DWG). Nick Bigelow, chair of the DWG, outlined how investigators can contribute to the writing of the roadmap. Results of measurements on very cold clouds of Fermi atoms near a Feshbach resonance were described by three investigators. Also, new measurements relating to tests of Einstein equivalence were discussed. Investigators also described methods to test other aspects of Einstein's relativity theories.

Full System Model of Magnetron Sputter Chamber - Proof-of-Principle Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walton, C; Gilmer, G; Zepeda-Ruiz, L

2007-05-04

The lack of detailed knowledge of internal process conditions remains a key challenge in magnetron sputtering, both for chamber design and for process development. Fundamental information such as the pressure and temperature distribution of the sputter gas, and the energies and arrival angles of the sputtered atoms and other energetic species is often missing, or is only estimated from general formulas. However, open-source or low-cost tools are available for modeling most steps of the sputter process, which can give more accurate and complete data than textbook estimates, using only desktop computations. To get a better understanding of magnetron sputtering, wemore » have collected existing models for the 5 major process steps: the input and distribution of the neutral background gas using Direct Simulation Monte Carlo (DSMC), dynamics of the plasma using Particle In Cell-Monte Carlo Collision (PIC-MCC), impact of ions on the target using molecular dynamics (MD), transport of sputtered atoms to the substrate using DSMC, and growth of the film using hybrid Kinetic Monte Carlo (KMC) and MD methods. Models have been tested against experimental measurements. For example, gas rarefaction as observed by Rossnagel and others has been reproduced, and it is associated with a local pressure increase of {approx}50% which may strongly influence film properties such as stress. Results on energies and arrival angles of sputtered atoms and reflected gas neutrals are applied to the Kinetic Monte Carlo simulation of film growth. Model results and applications to growth of dense Cu and Be films are presented.« less

Atmospheric science and power production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Randerson, D.

1984-07-01

This is the third in a series of scientific publications sponsored by the US Atomic Energy Commission and the two later organizations, the US Energy Research and Development Adminstration, and the US Department of Energy. The first book, Meteorology and Atomic Energy, was published in 1955; the second, in 1968. The present volume is designed to update and to expand upon many of the important concepts presented previously. However, the present edition draws heavily on recent contributions made by atmospheric science to the analysis of air quality and on results originating from research conducted and completed in the 1970s. Specialmore » emphasis is placed on how atmospheric science can contribute to solving problems relating to the fate of combustion products released into the atmosphere. The framework of this book is built around the concept of air-quality modeling. Fundamentals are addressed first to equip the reader with basic background information and to focus on available meteorological instrumentation and to emphasize the importance of data management procedures. Atmospheric physics and field experiments are described in detail to provide an overview of atmospheric boundary layer processes, of how air flows around obstacles, and of the mechanism of plume rise. Atmospheric chemistry and removal processes are also detailed to provide fundamental knowledge on how gases and particulate matter can be transformed while in the atmosphere and how they can be removed from the atmosphere. The book closes with a review of how air-quality models are being applied to solve a wide variety of problems. Separate analytics have been prepared for each chapter.« less

The Neutrino

NASA Astrophysics Data System (ADS)

Reines, Frederick; Cowan, Clyde L.

EACH new discovery of natural science broadens our knowledge and deepens our understanding of the physical universe; but at times these advances raise new and even more fundamental questions than those which they answer. Such was the case with the discovery and investigation of the radioactive process termed `beta decay'. In this process an atomic nucleus spontaneously emits either a negative or positive electron, and in so doing it becomes a different element with the same mass number but with a nuclear charge different from that of the parent element, by one electronic charge. As might be expected, intensive investigation of this interesting alchemy of Nature has shed much light on problems concerning the atomic nucleus. A new question arose at the beginning, however, when it was found that accompanying beta decay there was an unaccountable loss of energy from the decaying nucleus1, and that one could do nothing to the apparatus in which the decay occurred to trap this lost energy2. One possible explanation was that the conservation laws (upon which the entire structure of modern science is built) were not valid when applied to regions of subatomic dimensions. Another novel explanation, but one which would maintain the integrity of the conservation laws, was a proposal by Wolfgang Pauli in 1933 which hypothesized a new and fundamental particle3 to account for the loss of energy from the nucleus. This particle would be emitted by the nucleus simultaneously with the electron, would carry with it no electric charge but, would carry the missing energy and momentum—escaping from the laboratory equipment without detection…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuuichi Tooya; Tadahiro Washiya; Kenji Koizumi

Japan Atomic Energy Agency (JAEA) has been leading feasibility study on commercialized fast reactor cycle systems in Japan. In this study, we have proposed a new disassembly technology by mechanical disassembly system that consists of a mechanical cutting step and a wrapper tube pulling step. In the mechanical disassembly system, high durability mechanical tool grinds the wrapper tube (Slit-cut (S/C) operation in circle direction), and then the wrapper tube is pulled out and removed from the fuel assembly. Then the fuel pins are cut (Crop-cut (C/C) operation at entrance nozzle side) and the entrance nozzle is removed. The fuel pinsmore » are transported to the shearing device in next process. The Fundamental tests were carried out with simulated FBR fuel pins and wrapper tube, and cutting performance and wrapper tube pulling performance has been confirmed by engineering scale. As results, we established an efficient disassembly procedure and the fundamental design of mechanical disassembly system. (authors)« less

In Situ Monitoring of Chemical Reactions at a Solid-Water Interface by Femtosecond Acoustics.

PubMed

Shen, Chih-Chiang; Weng, Meng-Yu; Sheu, Jinn-Kong; Yao, Yi-Ting; Sun, Chi-Kuang

2017-11-02

Chemical reactions at a solid-liquid interface are of fundamental importance. Interfacial chemical reactions occur not only at the very interface but also in the subsurface area, while existing monitoring techniques either provide limited spatial resolution or are applicable only for the outmost atomic layer. Here, with the aid of the time-domain analysis with femtosecond acoustics, we demonstrate a subatomic-level-resolution technique to longitudinally monitor chemical reactions at solid-water interfaces, capable of in situ monitoring even the subsurface area under atmospheric conditions. Our work was proven by monitoring the already-known anode oxidation process occurring during photoelectrochemical water splitting. Furthermore, whenever the oxide layer thickness equals an integer  number of the effective atomic layer thickness, the measured acoustic echo will show higher signal-to-noise ratios with reduced speckle noise, indicating the quantum-like behavior of this coherent-phonon-based technique.

Mechanisms of protein and virus crystal growth: An atomic force microscopy study of canavalin and STMV crystallization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Land, T.A.; De Yoreo, J.J.; Malkin, A.J.

1996-05-01

The evolution of surface morphology and step dynamics during growth of rhombohedral crystals of the protein canavalin and crystals of the cubic satellite tobacco mosaic virus (STMV) have been investigated for the first time by in situ atomic force microscopy. These two crystals were observed to grow by very different mechanisms. Growth of canavalin occurs on complex vicinal hillocks formed by multiple, independently acting screw dislocations. Small clusters were observed on the terraces. STMV on the other hand, was observed to grow by 2D nucleation of islands. No dislocations were found on the crystal. The results are used to determinemore » the growth mechanisms and estimate the fundamental materials parameters. The images also illustrate the important mechanism of defect incorporation and provide insight to the processes that limit the growth rate and uniformity of these crystals.« less

In-Situ atomic force microscopic observation of ion beam bombarded plant cell envelopes

NASA Astrophysics Data System (ADS)

Sangyuenyongpipat, S.; Yu, L. D.; Brown, I. G.; Seprom, C.; Vilaithong, T.

2007-04-01

A program in ion beam bioengineering has been established at Chiang Mai University (CMU), Thailand, and ion beam induced transfer of plasmid DNA molecules into bacterial cells (Escherichia coli) has been demonstrated. However, a good understanding of the fundamental physical processes involved is lacking. In parallel work, onion skin cells have been bombarded with Ar+ ions at energy 25 keV and fluence1-2 × 1015 ions/cm2, revealing the formation of microcrater-like structures on the cell wall that could serve as channels for the transfer of large macromolecules into the cell interior. An in-situ atomic force microscope (AFM) system has been designed and installed in the CMU bio-implantation facility as a tool for the observation of these microcraters during ion beam bombardment. Here we describe some of the features of the in-situ AFM and outline some of the related work.

Large conditional single-photon cross-phase modulation

PubMed Central

Hosseini, Mahdi; Duan, Yiheng; Vuletić, Vladan

2016-01-01

Deterministic optical quantum logic requires a nonlinear quantum process that alters the phase of a quantum optical state by π through interaction with only one photon. Here, we demonstrate a large conditional cross-phase modulation between a signal field, stored inside an atomic quantum memory, and a control photon that traverses a high-finesse optical cavity containing the atomic memory. This approach avoids fundamental limitations associated with multimode effects for traveling optical photons. We measure a conditional cross-phase shift of π/6 (and up to π/3 by postselection on photons that remain in the system longer than average) between the retrieved signal and control photons, and confirm deterministic entanglement between the signal and control modes by extracting a positive concurrence. By upgrading to a state-of-the-art cavity, our system can reach a coherent phase shift of π at low loss, enabling deterministic and universal photonic quantum logic. PMID:27519798

Stimulated Emission of Terahertz Radiation from Internal ExcitonTransitions in Cu2O

NASA Astrophysics Data System (ADS)

Schmid, B. A.; Huber, R.; Shen, Y. R.; Kaindl, R. A.; Chemla, D. S.

2006-03-01

Excitons are among the most fundamental optical excitation modes in semiconductors. Resonant infrared pulses have been used to sensitively probe absorptive transitions between hydrogen-like bound pair states [1,2]. We report the first observation of the reverse quantum process: stimulated emission of electromagnetic radiation from intra-excitonic transitions [3]. Broadband terahertz pulses monitor the far-infrared electromagnetic response of Cu2O after ultrafast resonant photogeneration of 3p excitons. Stimulated emission from the 3p to the energetically lower 2s bound level occurs at a photon energy of 6.6 meV, with a cross section of ˜10-14 cm^2. Simultaneous excitation of both exciton levels, in turn, drives quantum beats which lead to efficient terahertz emission sharply peaked at the difference frequency. Our results demonstrate a new fundamental process of THz quantum optics and highlight analogies and differences between excitonic and atomic systems. [1] R. A. Kaindl et al., Nature 423, 734 (2003). [2] M. Kubouchi et al., Phys. Rev. Lett. 94, 016403 (2005). [3] R. Huber et al., Phys. Rev. Lett., to appear.

Metastable Oxygen Production by Electron-Impact of Oxygen

NASA Astrophysics Data System (ADS)

Hein, J. D.; Malone, C. P.; Kanik, I.; Johnson, P. V.

2013-12-01

Electron-impact excitation processes involving atomic and molecular oxygen are important in atmospheric interactions. The production of long-lived metastable O(1S) and O(1D) through electron impact of atomic O and molecular O2 play a significant role in the dynamics of oxygen-containing atmospheres (Earth, Europa, Io). Emissions from metastable O (1S → 1D) produce the well-recognized green light from terrestrial aurora. Electron-impact excitation to 1S and 1D are sensitive channels for determining energy partitioning and dynamics from space weather. Electron-impact excitation cross sections determined through fundamental experimental studies are necessary for modeling of natural phenomena and observation data. The detection of metastable states in laboratory experiments requires a novel approach, since typical detection techniques (e.g., fluorescence by radiative de-excitation) cannot be performed due to the long-lived nature of the excited species. In this work, metastable O is incident on a cryogenically cooled rare gas matrix, where excimer production and subsequent rapid radiative de-excitation provides measurable signal that is directly related to the originating electron-impact excitation process.

Metastable Oxygen Production by Electron-Impact of Oxygen

NASA Astrophysics Data System (ADS)

Hein, Jeffrey; Johnson, Paul; Kanik, Isik; Malone, Charles

2014-05-01

Electron-impact excitation processes involving atomic and molecular oxygen are important in atmospheric interactions. The production of long-lived metastable O(1S) and O(1D) through electron impact of atomic O and molecular O2 play a significant role in the dynamics of oxygen-containing atmospheres (Earth, Europa, Io). Emissions from metastable O (1S --> 1D) produce the well-recognized green light from terrestrial aurora. Electron-impact excitation to 1S and 1D are sensitive channels for determining energy partitioning and dynamics from space weather. Electron-impact excitation cross sections determined through fundamental experimental studies are necessary for modeling of natural phenomena and observation data. The detection of metastable states in laboratory experiments requires a novel approach, since typical detection techniques (e.g., fluorescence by radiative de-excitation) cannot be performed due to the long-lived nature of the excited species. In this work, metastable O is produced through electron impact, and is incident on a cryogenically cooled rare gas matrix. The excimer production and subsequent rapid radiative de-excitation provides measurable signal that is directly related to the originating electron-impact excitation process.

Basic Energy Sciences Program Update

DOE Office of Scientific and Technical Information (OSTI.GOV)

None, None

2016-01-04

The U.S. Department of Energy’s (DOE) Office of Basic Energy Sciences (BES) supports fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels to provide the foundations for new energy technologies and to support DOE missions in energy, environment, and national security. The research disciplines covered by BES—condensed matter and materials physics, chemistry, geosciences, and aspects of physical biosciences— are those that discover new materials and design new chemical processes. These disciplines touch virtually every aspect of energy resources, production, conversion, transmission, storage, efficiency, and waste mitigation. BES also plans, constructs, andmore » operates world-class scientific user facilities that provide outstanding capabilities for imaging and spectroscopy, characterizing materials of all kinds ranging from hard metals to fragile biological samples, and studying the chemical transformation of matter. These facilities are used to correlate the microscopic structure of materials with their macroscopic properties and to study chemical processes. Such experiments provide critical insights to electronic, atomic, and molecular configurations, often at ultrasmall length and ultrafast time scales.« less

Ab initio kinetics and thermal decomposition mechanism of mononitrobiuret and 1,5-dinitrobiuret

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Hongyan, E-mail: hongyan.sun1@gmail.com, E-mail: ghanshyam.vaghjiani@us.af.mil; Vaghjiani, Ghanshyam L., E-mail: hongyan.sun1@gmail.com, E-mail: ghanshyam.vaghjiani@us.af.mil

2015-05-28

Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 Å, due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was foundmore » that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV∞ Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH{sub 2} group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C{sub 2v} symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via Rice–Ramsperger–Kassel–Marcus/multi-well master equation simulations, the results of which reveal the formation of (NO{sub 2} + H{sub 2}O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klapötke et al. [Combust. Flame 139, 358–366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.« less

Kinetics in the real world: linking molecules, processes, and systems.

PubMed

Kohse-Höinghaus, Katharina; Troe, Jürgen; Grabow, Jens-Uwe; Olzmann, Matthias; Friedrichs, Gernot; Hungenberg, Klaus-Dieter

2018-04-25

Unravelling elementary steps, reaction pathways, and kinetic mechanisms is key to understanding the behaviour of many real-world chemical systems that span from the troposphere or even interstellar media to engines and process reactors. Recent work in chemical kinetics provides detailed information on the reactive changes occurring in chemical systems, often on the atomic or molecular scale. The optimisation of practical processes, for instance in combustion, catalysis, battery technology, polymerisation, and nanoparticle production, can profit from a sound knowledge of the underlying fundamental chemical kinetics. Reaction mechanisms can combine information gained from theory and experiments to enable the predictive simulation and optimisation of the crucial process variables and influences on the system's behaviour that may be exploited for both monitoring and control. Chemical kinetics, as one of the pillars of Physical Chemistry, thus contributes importantly to understanding and describing natural environments and technical processes and is becoming increasingly relevant for interactions in and with the real world.

Experiments with trapped ions and ultrafast laser pulses

NASA Astrophysics Data System (ADS)

Johnson, Kale Gifford

Since the dawn of quantum information science, laser-cooled trapped atomic ions have been one of the most compelling systems for the physical realization of a quantum computer. By applying qubit state dependent forces to the ions, their collective motional modes can be used as a bus to realize entangling quantum gates. Ultrafast state-dependent kicks [1] can provide a universal set of quantum logic operations, in conjunction with ultrafast single qubit rotations [2], which uses only ultrafast laser pulses. This may present a clearer route to scaling a trapped ion processor [3]. In addition to the role that spin-dependent kicks (SDKs) play in quantum computation, their utility in fundamental quantum mechanics research is also apparent. In this thesis, we present a set of experiments which demonstrate some of the principle properties of SDKs including ion motion independence (we demonstrate single ion thermometry from the ground state to near room temperature and the largest Schrodinger cat state ever created in an oscillator), high speed operations (compared with conventional atom-laser interactions), and multi-qubit entanglement operations with speed that is not fundamentally limited by the trap oscillation frequency. We also present a method to provide higher stability in the radial mode ion oscillation frequencies of a linear radiofrequency (rf) Paul trap-a crucial factor when performing operations on the rf-sensitive modes. Finally, we present the highest atomic position sensitivity measurement of an isolated atom to date of 0.5 nm Hz. (-1/2) with a minimum uncertaintyof 1.7 nm using a 0.6 numerical aperature (NA) lens system, along with a method to correct aberrations and a direct position measurement of ion micromotion (the inherent oscillations of an ion trapped in an oscillating rf field). This development could be used to directly image atom motion in the quantum regime, along with sensing forces at the yoctonewton [10. (-24) N)] scale forgravity sensing, and 3D imaging of atoms from static to higher frequency motion. These ultrafast atomic qubit manipulation tools demonstrate inherent advantages over conventional techniques, offering a fundamentally distinct regime of control and speed not previously achievable.

Dopant atoms as quantum components in silicon nanoscale devices

NASA Astrophysics Data System (ADS)

Zhao, Xiaosong; Han, Weihua; Wang, Hao; Ma, Liuhong; Li, Xiaoming; Zhang, Wang; Yan, Wei; Yang, Fuhua

2018-06-01

Recent progress in nanoscale fabrication allows many fundamental studies of the few dopant atoms in various semiconductor nanostructures. Since the size of nanoscale devices has touched the limit of the nature, a single dopant atom may dominate the performance of the device. Besides, the quantum computing considered as a future choice beyond Moore's law also utilizes dopant atoms as functional units. Therefore, the dopant atoms will play a significant role in the future novel nanoscale devices. This review focuses on the study of few dopant atoms as quantum components in silicon nanoscale device. The control of the number of dopant atoms and unique quantum transport characteristics induced by dopant atoms are presented. It can be predicted that the development of nanoelectronics based on dopant atoms will pave the way for new possibilities in quantum electronics. Project supported by National Key R&D Program of China (No. 2016YFA0200503).

An atomic clock with 10(-18) instability.

PubMed

Hinkley, N; Sherman, J A; Phillips, N B; Schioppo, M; Lemke, N D; Beloy, K; Pizzocaro, M; Oates, C W; Ludlow, A D

2013-09-13

Atomic clocks have been instrumental in science and technology, leading to innovations such as global positioning, advanced communications, and tests of fundamental constant variation. Timekeeping precision at 1 part in 10(18) enables new timing applications in relativistic geodesy, enhanced Earth- and space-based navigation and telescopy, and new tests of physics beyond the standard model. Here, we describe the development and operation of two optical lattice clocks, both using spin-polarized, ultracold atomic ytterbium. A measurement comparing these systems demonstrates an unprecedented atomic clock instability of 1.6 × 10(-18) after only 7 hours of averaging.

Atomic and close-to-atomic scale manufacturing—A trend in manufacturing development

NASA Astrophysics Data System (ADS)

Fang, Fengzhou

2016-12-01

Manufacturing is the foundation of a nation's economy. It is the primary industry to promote economic and social development. To accelerate and upgrade China's manufacturing sector from "precision manufacturing" to "high-performance and high-quality manufacturing", a new breakthrough should be found in terms of achieving a "leap-frog development". Unlike conventional manufacturing, the fundamental theory of "Manufacturing 3.0" is beyond the scope of conventional theory; rather, it is based on new principles and theories at the atomic and/or closeto- atomic scale. Obtaining a dominant role at the international level is a strategic move for China's progress.

The effect of grading the atomic number at resistive guide element interface on magnetic collimation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alraddadi, R. A. B.; Woolsey, N. C.; Robinson, A. P. L.

2016-07-15

Using 3 dimensional numerical simulations, this paper shows that grading the atomic number and thus the resistivity at the interface between an embedded high atomic number guide element and a lower atomic number substrate enhances the growth of a resistive magnetic field. This can lead to a large integrated magnetic flux density, which is fundamental to confining higher energy fast electrons. This results in significant improvements in both magnetic collimation and fast-electron-temperature uniformity across the guiding. The graded interface target provides a method for resistive guiding that is tolerant to laser pointing.

Nanosystem self-assembly pathways discovered via all-atom multiscale analysis.

PubMed

Pankavich, Stephen D; Ortoleva, Peter J

2012-07-26

We consider the self-assembly of composite structures from a group of nanocomponents, each consisting of particles within an N-atom system. Self-assembly pathways and rates for nanocomposites are derived via a multiscale analysis of the classical Liouville equation. From a reduced statistical framework, rigorous stochastic equations for population levels of beginning, intermediate, and final aggregates are also derived. It is shown that the definition of an assembly type is a self-consistency criterion that must strike a balance between precision and the need for population levels to be slowly varying relative to the time scale of atomic motion. The deductive multiscale approach is complemented by a qualitative notion of multicomponent association and the ensemble of exact atomic-level configurations consistent with them. In processes such as viral self-assembly from proteins and RNA or DNA, there are many possible intermediates, so that it is usually difficult to predict the most efficient assembly pathway. However, in the current study, rates of assembly of each possible intermediate can be predicted. This avoids the need, as in a phenomenological approach, for recalibration with each new application. The method accounts for the feedback across scales in space and time that is fundamental to nanosystem self-assembly. The theory has applications to bionanostructures, geomaterials, engineered composites, and nanocapsule therapeutic delivery systems.

An Introduction to the Fundamentals of Chemistry for the Marine Engineer - An Audio-Tutorial Correspondence Course (CH-1C).

ERIC Educational Resources Information Center

Schlenker, Richard M.

This document provides a study guide for a three-credit-hour fundamentals of chemistry course for marine engineer majors. The course is composed of 17 minicourses including: chemical reactions, atomic theory, solutions, corrosion, organic chemistry, water pollution, metric system, and remedial mathematics skills. Course grading, objectives,…

Teaching Avogadro's Hypothesis and Helping Students to See the World Differently

ERIC Educational Resources Information Center

Criswell, Brett

2008-01-01

Within the historical context of the development of chemistry, Avogadro's hypothesis represents a fundamental concept: It allowed Avogadro to explain Gay-Lussac's law of combining volumes and it allowed Cannizzaro to establish a more accurate set of atomic mass values. If students are going to understand the concept of relative atomic masses and…

Colloidal Disorder-Order Transition Experiment Probes Particle Interactions in Microgravity

NASA Technical Reports Server (NTRS)

1997-01-01

Everything in the universe is made up of the same basic building blocks - atoms. All physical properties of matter such as weight, hardness, and color are determined by the kind of atoms present and the way they interact with each other. The Colloidal Disorder-Order Transition (CDOT) shuttle flight experiment tested fundamental theories that model atomic interactions. The experiment was part of the Second United States Microgravity Laboratory (USML-2) aboard the Space Shuttle Columbia, which flew from October 20 to November 5, 1995.

The Quest for Greater Chemical Energy Storage II: On the Relationship between Bond Length and Bond Energy

NASA Astrophysics Data System (ADS)

Lindsay, Michael; Buszek, Robert; Boatz, Jerry; Fajardo, Mario

2017-06-01

This is the second in a series of papers aimed at exploring the fundamental limitations to chemical energy storage. In the previous work, we summarized the lessons learned in various high energy density materials (HEDM) programs, the different degrees of freedom in which to store energy in materials, and the fundamental limitations and orders of magnitude of the energies involved.1 That discussion focused almost exclusively on the topic of molar energy density (J/mol) from the perspective of the energy of oxidation of the elements and Fritz Zwicky's ``free atom limit.''2 In this talk, we extend the analysis by considering a different, though equally important, aspect of the energy density calculation: the volumetric density of the energetic material. Specifically, we examine how the distances between individual atoms (i.e. intra- and inter-molecular bond lengths) are coupled to (in fact, approximately inversely proportional to) the energy stored in the bonds of the molecule. This relationship further limits the chemical energy that theoretically can be stored in a material below that predicted by the ``free atom limit.'' This talk will give specific examples of the trends with different bonding motifs and the implications to the fundamental limitations of chemical energy storage.

Interface structure between tetraglyme and graphite

NASA Astrophysics Data System (ADS)

Minato, Taketoshi; Araki, Yuki; Umeda, Kenichi; Yamanaka, Toshiro; Okazaki, Ken-ichi; Onishi, Hiroshi; Abe, Takeshi; Ogumi, Zempachi

2017-09-01

Clarification of the details of the interface structure between liquids and solids is crucial for understanding the fundamental processes of physical functions. Herein, we investigate the structure of the interface between tetraglyme and graphite and propose a model for the interface structure based on the observation of frequency-modulation atomic force microscopy in liquids. The ordering and distorted adsorption of tetraglyme on graphite were observed. It is found that tetraglyme stably adsorbs on graphite. Density functional theory calculations supported the adsorption structure. In the liquid phase, there is a layered structure of the molecular distribution with an average distance of 0.60 nm between layers.

PREFACE Preface

NASA Astrophysics Data System (ADS)

Bachor, Hans; Drummond, Peter; Hannaford, Peter

2011-01-01

The 22nd International Conference on Atomic Physics (ICAP 2010) was held from 25 to 30 July, 2010 in Cairns, Tropical North Queensland, Australia. This conference followed on from the series of highly successful biennial ICAP conferences held in Storrs, Innsbruck, Rio, Cambridge MA, Florence, Windsor, Amsterdam, Boulder, Munich, Ann Arbor, Paris, Tokyo, Seattle, Göteborg, Cambridge MA, Riga, Berkeley, Heidelberg, Boulder, Oxford and New York. ICAP 2010 was attended by 630 participants from 37 countries. The conference presented an outstanding program of papers covering the most recent advances in atomic physics, including atomic tests of fundamental physics and basic symmetries; precision measurements, including atomic clocks, atom interferometers and fundamental constants; ultracold gases and Bose-Einstein condensates; ultracold Fermi gases; ultracold molecules; quantum simulators with atoms and ions; few-body systems; ultrafast phenomena and free electron lasers; quantum information with atoms and ions; quantum optics and cavity QED with atoms; and hybrid and optomechanical systems. The papers in this Proceedings represent a collection of the invited talks. The conference program consisted of 48 invited talks presented in plenary sessions, including 10 'hot topic' talks highlighting the most recent advances in the field, and about 490 poster papers presented in three afternoon sessions. The program included talks by Nobel Laureates Claude Cohen-Tannoudji, Wolfgang Ketterle and Bill Phillips, a memorium talk commemorating the scientific life of Vladilen Letokhov, and an evening lecture by Alain Aspect on 'Wave particle duality for a single photon: quantum weirdness brought to light'. The conference was preceded by a two-day workshop in Cairns on Variation of Fundamental Constants and Violation of Fundamental Symmetries P, T(EDM), CPT, Lorentz Invariance, organised by the University of New South Wales; and three-day Student Workshop at Cape Tribulation, organized by the Australian Research Council Centre of Excellence for Quantum-Atom Optics (ACQAO). A website with full details of the conference program, abstracts and other information can be found at: http://www.swin.edu.au/icap2010. We would like to thank the participants, especially those who contributed talks, posters and manuscripts, for making ICAP2010 such an exciting and memorable conference. We thank the Program Committee for putting together an outstanding program and the ICAP International Advisory Committee for their expert advice and suggestions. We gratefully acknowledge the financial support of our sponsors: the Australian National University, the Australian Research Council Centre of Excellence for Quantum-Atom Optics, Griffith University, the Ian Potter Foundation, the International Union of Pure and Applied Physics, the National Institute of Standards and Technology, Swinburne University of Technology, and contributors to the trade exhibition: Coherent, Coherent Scientific, the Institute of Physics Publishing, Lastek, NewSpec, Nufern, Oxford University Press, Spectra-Physics, Springer, Toptica Photonics and Warsash Scientific. Finally, we thank our Conference Secretariat, Maria Lamari, and the Local Organising Committee for their tireless and expert efforts in the organisation of ICAP2010, and the staff of the Cairns Convention Centre, whose friendly and efficient service contributed much to the success of the conference. The next ICAP conference is planned to be held in Palaiseau, France from 23 to 27 July 2012 (http://www.ifraf.org/icap2012). Hans BachorPeter DrummondPeter HannafordEditors

Optical characterization of antirelaxation coatings

NASA Astrophysics Data System (ADS)

Tsvetkov, S.; Gateva, S.; Cartaleva, S.; Mariotti, E.; Nasyrov, K.

2018-03-01

Antirelaxation coatings (ARC) are used in optical cells containing alkali metal vapor to reduce the depolarization of alkali atoms after collisions with the cell walls. The long-lived ground state polarization is a basis for development of atomic clocks, magnetometers, quantum memory, slow light experiments, precision measurements of fundamental symmetries etc. In this work, a simple method for measuring the number of collisions of the alkali atoms with the cell walls without atomic spin randomization (Nasyrov et al., Proc. SPIE (2015)) was applied to characterize the AR properties of two PDMS coatings prepared from different solutions in ether (PDMS 2% and PDMS 5%). We observed influence of the light-induced atomic desorption (LIAD) on the AR properties of coatings.

Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Yamada, Toshishige; Saini, Subhash (Technical Monitor)

1998-01-01

Adatom chains, precise structures artificially created on an atomically regulated surface, are the smallest possible candidates for future nanoelectronics. Since all the devices are created by combining adatom chains precisely prepared with atomic precision, device characteristics are predictable, and free from deviations due to accidental structural defects. In this atomic dimension, however, an analogy to the current semiconductor devices may not work. For example, Si structures are not always semiconducting. Adatom states do not always localize at the substrate surface when adatoms form chemical bonds to the substrate atoms. Transport properties are often determined for the entire system of the chain and electrodes, and not for chains only. These fundamental issues are discussed, which will be useful for future device considerations.

Physics in strong magnetic fields near neutron stars

NASA Technical Reports Server (NTRS)

Harding, Alice K.

1991-01-01

Electromagnetic phenomena occurring in the strong magnetic fields of neutron stars are currently of great interest in high-energy astrophysics. Observations of rotation rate changes and cyclotron lines in pulsars and gamma-ray bursts indicate that surface magnetic fields of neutron stars often exceed a trillion gauss. In fields this strong, where electrons behave much as if they were in bound atomic states, familiar processes undergo profound changes, and exotic processes become important. Strong magnetic fields affect the physics in several fundamental ways: energies perpendicular to the field are quantized, transverse momentum is not conserved, and electron-positron spin is important. Neutron stars therefore provide a unique laboratory for the study of physics in extremely high fields that cannot be generated on earth.

Single-Atom Demonstration of the Quantum Landauer Principle

NASA Astrophysics Data System (ADS)

Yan, L. L.; Xiong, T. P.; Rehan, K.; Zhou, F.; Liang, D. F.; Chen, L.; Zhang, J. Q.; Yang, W. L.; Ma, Z. H.; Feng, M.

2018-05-01

One of the outstanding challenges to information processing is the eloquent suppression of energy consumption in the execution of logic operations. The Landauer principle sets an energy constraint in deletion of a classical bit of information. Although some attempts have been made to experimentally approach the fundamental limit restricted by this principle, exploring the Landauer principle in a purely quantum mechanical fashion is still an open question. Employing a trapped ultracold ion, we experimentally demonstrate a quantum version of the Landauer principle, i.e., an equality associated with the energy cost of information erasure in conjunction with the entropy change of the associated quantized environment. Our experimental investigation substantiates an intimate link between information thermodynamics and quantum candidate systems for information processing.

Phase Transformations and Microstructural Evolution: Part II

DOE PAGES

Clarke, Amy Jean

2015-10-30

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance. In this issue, aspects of liquid–solid and solid-state phase transformations and microstructural evolution are highlighted. Many papers in thismore » issue are highlighted by this paper, giving a brief summary of what they bring to the scientific community.« less

Solid State Division progress report for period ending September 30, 1993

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, P.H.; Hinton, L.W.

1994-08-01

This report covers research progress in the Solid State Division from April 1, 1992, to September 30, 1993. During this period, the division conducted a broad, interdisciplinary materials research program with emphasis on theoretical solid state physics, neutron scattering, synthesis and characterization of materials, ion beam and laser processing, and the structure of solids and surfaces. This research effort was enhanced by new capabilities in atomic-scale materials characterization, new emphasis on the synthesis and processing of materials, and increased partnering with industry and universities. The theoretical effort included a broad range of analytical studies, as well as a new emphasismore » on numerical simulation stimulated by advances in high-performance computing and by strong interest in related division experimental programs. Superconductivity research continued to advance on a broad front from fundamental mechanisms of high-temperature superconductivity to the development of new materials and processing techniques. The Neutron Scattering Program was characterized by a strong scientific user program and growing diversity represented by new initiatives in complex fluids and residual stress. The national emphasis on materials synthesis and processing was mirrored in division research programs in thin-film processing, surface modification, and crystal growth. Research on advanced processing techniques such as laser ablation, ion implantation, and plasma processing was complemented by strong programs in the characterization of materials and surfaces including ultrahigh resolution scanning transmission electron microscopy, atomic-resolution chemical analysis, synchrotron x-ray research, and scanning tunneling microscopy.« less

Probing Atomic Dynamics and Structures Using Optical Patterns

NASA Astrophysics Data System (ADS)

Schmittberger, Bonnie L.; Gauthier, Daniel J.

2015-05-01

Pattern formation is a widely studied phenomenon that can provide fundamental insights into nonlinear systems. Emergent patterns in cold atoms are of particular interest in condensed matter physics and quantum information science because one can relate optical patterns to spatial structures in the atoms. In our experimental system, we study multimode optical patterns generated from a sample of cold, thermal atoms. We observe this nonlinear optical phenomenon at record low input powers due to the highly nonlinear nature of the spatial bunching of atoms in an optical lattice. We present a detailed study of the dynamics of these bunched atoms during optical pattern formation. We show how small changes in the atomic density distribution affect the symmetry of the generated patterns as well as the nature of the nonlinearity that describes the light-atom interaction. We gratefully acknowledge the financial support of the National Science Foundation through Grant #PHY-1206040.

Development and assessment of atomistic models for predicting static friction coefficients

NASA Astrophysics Data System (ADS)

Jahangiri, Soran; Heverly-Coulson, Gavin S.; Mosey, Nicholas J.

2016-08-01

The friction coefficient relates friction forces to normal loads and plays a key role in fundamental and applied areas of science and technology. Despite its importance, the relationship between the friction coefficient and the properties of the materials forming a sliding contact is poorly understood. We illustrate how simple relationships regarding the changes in energy that occur during slip can be used to develop a quantitative model relating the friction coefficient to atomic-level features of the contact. The slip event is considered as an activated process and the load dependence of the slip energy barrier is approximated with a Taylor series expansion of the corresponding energies with respect to load. The resulting expression for the load-dependent slip energy barrier is incorporated in the Prandtl-Tomlinson (PT) model and a shear-based model to obtain expressions for friction coefficient. The results indicate that the shear-based model reproduces the static friction coefficients μs obtained from first-principles molecular dynamics simulations more accurately than the PT model. The ability of the model to provide atomistic explanations for differences in μs amongst different contacts is also illustrated. As a whole, the model is able to account for fundamental atomic-level features of μs, explain the differences in μs for different materials based on their properties, and might be also used in guiding the development of contacts with desired values of μs.

Mechanism of Contact between a Droplet and an Atomically Smooth Substrate

NASA Astrophysics Data System (ADS)

Lo, Hau Yung; Liu, Yuan; Xu, Lei

2017-04-01

When a droplet gently lands on an atomically smooth substrate, it will most likely contact the underlying surface in about 0.1 s. However, theoretical estimation from fluid mechanics predicts a contact time of 10-100 s. What causes this large discrepancy, and how does nature speed up contact by 2 orders of magnitude? To probe this fundamental question, we prepare atomically smooth substrates by either coating a liquid film on glass or using a freshly cleaved mica surface, and visualize the droplet contact dynamics with 30-nm resolution. Interestingly, we discover two distinct speed-up approaches: (1) droplet skidding due to even minute perturbations breaks rotational symmetry and produces early contact at the thinnest gap location, and (2) for the unperturbed situation with rotational symmetry, a previously unnoticed boundary flow around only 0.1 mm /s expedites air drainage by over 1 order of magnitude. Together, these two mechanisms universally explain general contact phenomena on smooth substrates. The fundamental discoveries shed new light on contact and drainage research.

Prediction of absolute infrared intensities for the fundamental vibrations of H2O2

NASA Technical Reports Server (NTRS)

Rogers, J. D.; Hillman, J. J.

1981-01-01

Absolute infrared intensities are predicted for the vibrational bands of gas-phase H2O2 by the use of a hydrogen atomic polar tensor transferred from the hydroxyl hydrogen atom of CH3OH. These predicted intensities are compared with intensities predicted by the use of a hydrogen atomic polar tensor transferred from H2O. The predicted relative intensities agree well with published spectra of gas-phase H2O2, and the predicted absolute intensities are expected to be accurate to within at least a factor of two. Among the vibrational degrees of freedom, the antisymmetric O-H bending mode nu(6) is found to be the strongest with a calculated intensity of 60.5 km/mole. The torsional band, a consequence of hindered rotation, is found to be the most intense fundamental with a predicted intensity of 120 km/mole. These results are compared with the recent absolute intensity determinations for the nu(6) band.

Using a Virtual Tissue Culture System to Assist Students in Understanding Life at the Cellular Level

ERIC Educational Resources Information Center

McLauglin, Jacqueline S.; Seaquist, Stephen B.

2008-01-01

In every biology course ever taught in the nation's classrooms, and in every biology book ever published, students are taught about the "cell." The cell is as fundamental to biology as the atom is to chemistry. Truly, everything an organism does occurs fundamentally at the cellular level. Beyond memorizing the cellular definition, students are not…

And so Ad Infinitum: The Search for Quark and Lepton Substructure

ERIC Educational Resources Information Center

Lincoln, Don

2018-01-01

The saga of the search for the ultimate constituents of matter has long been one of finding a seemingly fundamental structure that, in turn, was found to be made of even smaller building blocks. Matter is made of molecules. Molecules are in turn made of atoms, which are themselves made of electrons and atomic nuclei. The nucleus consists of…

Dynamics-Enabled Nanoelectromechanical Systems (NEMS) Oscillators

DTIC Science & Technology

2014-06-01

it becomes strongly nonlinear, and thus constitutes an archetypal candidate for nonlinear engineering • its fundamental resonant frequency...width of spectral peaks of atomic force microscopy (AFM) resonators as they are brought close to a surface. 39 Approved for public release...alternating current AD Allan Deviation AFM atomic force microscopy AFRL Air Force Research Laboratory AlN aluminum nitride APN Anomalous Phase

Atom Interferometry with Ultracold Quantum Gases in a Microgravity Environment

NASA Astrophysics Data System (ADS)

Williams, Jason; D'Incao, Jose; Chiow, Sheng-Wey; Yu, Nan

2015-05-01

Precision atom interferometers (AI) in space promise exciting technical capabilities for fundamental physics research, with proposals including unprecedented tests of the weak equivalence principle, precision measurements of the fine structure and gravitational constants, and detection of gravity waves and dark energy. Consequently, multiple AI-based missions have been proposed to NASA, including a dual-atomic-species interferometer that is to be integrated into the Cold Atom Laboratory (CAL) onboard the International Space Station. In this talk, I will discuss our plans and preparation at JPL for the proposed flight experiments to use the CAL facility to study the leading-order systematics expected to corrupt future high-precision measurements of fundamental physics with AIs in microgravity. The project centers on the physics of pairwise interactions and molecular dynamics in these quantum systems as a means to overcome uncontrolled shifts associated with the gravity gradient and few-particle collisions. We will further utilize the CAL AI for proof-of-principle tests of systematic mitigation and phase-readout techniques for use in the next-generation of precision metrology experiments based on AIs in microgravity. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

Quantum-projection-noise-limited interferometry with coherent atoms in a Ramsey-type setup

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doering, D.; McDonald, G.; Debs, J. E.

2010-04-15

Every measurement of the population in an uncorrelated ensemble of two-level systems is limited by what is known as the quantum projection noise limit. Here, we present quantum-projection-noise-limited performance of a Ramsey-type interferometer using freely propagating coherent atoms. The experimental setup is based on an electro-optic modulator in an inherently stable Sagnac interferometer, optically coupling the two interfering atomic states via a two-photon Raman transition. Going beyond the quantum projection noise limit requires the use of reduced quantum uncertainty (squeezed) states. The experiment described demonstrates atom interferometry at the fundamental noise level and allows the observation of possible squeezing effectsmore » in an atom laser, potentially leading to improved sensitivity in atom interferometers.« less

Detection of NMR signals with a radio-frequency atomic magnetometer.

PubMed

Savukov, I M; Seltzer, S J; Romalis, M V

2007-04-01

We demonstrate detection of proton NMR signals with a radio-frequency (rf) atomic magnetometer tuned to the NMR frequency of 62 kHz. High-frequency operation of the atomic magnetometer makes it relatively insensitive to ambient magnetic field noise. We obtain magnetic field sensitivity of 7 fT/Hz1/2 using only a thin aluminum shield. We also derive an expression for the fundamental sensitivity limit of a surface inductive pick-up coil as a function of frequency and find that an atomic rf magnetometer is intrinsically more sensitive than a coil of comparable size for frequencies below about 50 MHz.

Ultrafast Relaxation Dynamics of Au 38 (SC 2 H 4 Ph) 24 Nanoclusters and Effects of Structural Isomerism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Meng; Tian, Shubo; Zeng, Chenjie

Structural isomerism in nanoparticles has recently emerged as a new topic and stimulated research interest because the atomic structures of ultrasmall nanoparticles may have great impact on their fundamental properties and applications. We report the correlation between ultrafast relaxation dynamics and atomic structures of two isomers of thiolate-protected Au 38(SC 2H 4Ph) 24. The bi-icosahedral Au 38 (denoted as Au 38Q) with a Au 23 inner core in its atomic structure shows rapid decay (1.5 ps) followed by nanosecond relaxation to the ground state, whereas its structural isomer (Au 38T) exhibits similar relaxation processes, but the rapid decay is acceleratedmore » by ~50% (1.0 ps). The picosecond relaxations in both cases can be assigned to core–shell charge transfer or electronic rearrangement within the metal core. The acceleration of the fast decay in Au38T is ascribed to its unique core structure, which is made up of a mono-icosahedral Au 13 capped by a Au 12 tri-tetrahedron by sharing two atoms. Interestingly, coherent phonon emissions (25 cm –1 for Au 38Q, 27 and 60 cm –1 for Au 38T) are observed in both isomers with pumping in the NIR region. These results illustrate for the first time the importance of atomic structures in the photophysics of same sized gold nanoclusters.« less

Ultrafast Relaxation Dynamics of Au 38 (SC 2 H 4 Ph) 24 Nanoclusters and Effects of Structural Isomerism

DOE PAGES

Zhou, Meng; Tian, Shubo; Zeng, Chenjie; ...

2016-12-22

Structural isomerism in nanoparticles has recently emerged as a new topic and stimulated research interest because the atomic structures of ultrasmall nanoparticles may have great impact on their fundamental properties and applications. We report the correlation between ultrafast relaxation dynamics and atomic structures of two isomers of thiolate-protected Au 38(SC 2H 4Ph) 24. The bi-icosahedral Au 38 (denoted as Au 38Q) with a Au 23 inner core in its atomic structure shows rapid decay (1.5 ps) followed by nanosecond relaxation to the ground state, whereas its structural isomer (Au 38T) exhibits similar relaxation processes, but the rapid decay is acceleratedmore » by ~50% (1.0 ps). The picosecond relaxations in both cases can be assigned to core–shell charge transfer or electronic rearrangement within the metal core. The acceleration of the fast decay in Au38T is ascribed to its unique core structure, which is made up of a mono-icosahedral Au 13 capped by a Au 12 tri-tetrahedron by sharing two atoms. Interestingly, coherent phonon emissions (25 cm –1 for Au 38Q, 27 and 60 cm –1 for Au 38T) are observed in both isomers with pumping in the NIR region. These results illustrate for the first time the importance of atomic structures in the photophysics of same sized gold nanoclusters.« less

Coherent Radiation in Atomic Systems

NASA Astrophysics Data System (ADS)

Sutherland, Robert Tyler

Over the last century, quantum mechanics has dramatically altered our understanding of light and matter. Impressively, exploring the relationship between the two continues to provide important insights into the physics of many-body systems. In this thesis, we add to this still growing field of study. Specifically, we discuss superradiant line-broadening and cooperative dipole-dipole interactions for cold atom clouds in the linear-optics regime. We then discuss how coherent radiation changes both the photon scattering properties and the excitation distribution of atomic arrays. After that, we explore the nature of superradiance in initially inverted clouds of multi-level atoms. Finally, we explore the physics of clouds with degenerate Zeeman ground states, and show that this creates quantum effects that fundamentally change the photon scattering of atomic ensembles.

Continuous-variable controlled-Z gate using an atomic ensemble

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Mingfeng; Jiang Nianquan; Jin Qingli

2011-06-15

The continuous-variable controlled-Z gate is a canonical two-mode gate for universal continuous-variable quantum computation. It is considered as one of the most fundamental continuous-variable quantum gates. Here we present a scheme for realizing continuous-variable controlled-Z gate between two optical beams using an atomic ensemble. The gate is performed by simply sending the two beams propagating in two orthogonal directions twice through a spin-squeezed atomic medium. Its fidelity can run up to one if the input atomic state is infinitely squeezed. Considering the noise effects due to atomic decoherence and light losses, we show that the observed fidelities of the schememore » are still quite high within presently available techniques.« less

Isomer and Fluorination Effects among Fluorine Substituted Hydrocarbon C3/C4 Molecules in Electron Impact Ionization

NASA Astrophysics Data System (ADS)

Patel, U. R.; Joshipura, K. N.

2015-05-01

Electron collision processes are very important in both man-made and natural plasmas, for determining the energy balances and transport properties of electrons. Electron -molecule scattering leading to ionization represents one of the most fundamental processes in collision physics. In the gas phase, the total efficiency of the process is described by the absolute total electron impact ionization cross section. Carbon based materials are some of the widely used materials for a divertor plate and magnetically confined fusion devices. In the ``ITER,'' it is very important for steady state operation to have an estimate of the lifetime of carbon plasma facing components. Apart from fusion plasma relevance, the present theoretical study is very important in modeling and controlling other electron assisted processes in many areas. Hydrocarbons play an important role for plasma diagnostics as impurities in the Tokamak fusion divertor, as seed gases for the production of radicals and ions in low temperature plasma processing. Fluorine substituted hydrocarbons (perfluorocarbons) are important as reactants in plasma assisted fabrication processes. In the present work, we have calculated total ionization cross sections Qion for C3/C4 Hydrocarbon isomers by electron impact, and comparisons are made mutually to observe isomer effect. Comparisons are also made by substituting H atom by F atom and revealing fluorination effect. The present calculations are quite significant owing to the lack of experimental data, with just an isolated previous theoretical work in some cases.

Boron Nitride Nanoporous Membranes with High Surface Charge by Atomic Layer Deposition.

PubMed

Weber, Matthieu; Koonkaew, Boonprakrong; Balme, Sebastien; Utke, Ivo; Picaud, Fabien; Iatsunskyi, Igor; Coy, Emerson; Miele, Philippe; Bechelany, Mikhael

2017-05-17

In this work, we report the design and the fine-tuning of boron nitride single nanopore and nanoporous membranes by atomic layer deposition (ALD). First, we developed an ALD process based on the use of BBr 3 and NH 3 as precursors in order to synthesize BN thin films. The deposited films were characterized in terms of thickness, composition, and microstructure. Next, we used the newly developed process to grow BN films on anodic aluminum oxide nanoporous templates, demonstrating the conformality benefit of BN prepared by ALD, and its scalability for the manufacturing of membranes. For the first time, the ALD process was then used to tune the diameter of fabricated single transmembrane nanopores by adjusting the BN thickness and to enable studies of the fundamental aspects of ionic transport on a single nanopore. At pH = 7, we estimated a surface charge density of 0.16 C·m -2 without slip and 0.07 C·m -2 considering a reasonable slip length of 3 nm. Molecular dynamics simulations performed with experimental conditions confirmed the conductivities and the sign of surface charges measured. The high ion transport results obtained and the ability to fine-tune nanoporous membranes by such a scalable method pave the way toward applications such as ionic separation, energy harvesting, and ultrafiltration devices.

New Mechanism of Low Energy Nuclear Reactions Using Superlow

NASA Astrophysics Data System (ADS)

Gareev, F. A.; Zhidkova, I. E.

2006-03-01

We proposed a new mechanism of LENR (low energy nuclear reactions) cooperative processes in the whole system - nuclei+atoms+condensed matter can occur at smaller threshold than the corresponding ones assoiciated with free constituents. The cooperative processes can be induced and enhanced by (``superlow energy'') external fields. The excess heat is the emission of internal energy, and transmutations from LENR are the result of redistribution of the internal energy of the whole system. A review of possible stimulation mechanisms of LENR is presented. We have concluded that transmutation of nuclei at low energies and excess heat are possible in the framework of the known fundamental physical laws: The universal resonance synchronization principle, and based on it, different enhancement mechanisms of reaction rates are responsible for these processes. The excitation and ionization of atoms may play the role of a trigger for LENR. F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/0511092 v1 30 Nov 2005. F.A. Gareev, In: FPB-98, Novosibirsk, June 1998, p.92; F.A.Gareev, G.F. Gareeva, in: Novosibirsk, July 2000, p.161. F.A. Gareev, I.E. Zhidkova and Yu.L. Ratis, Preprint JINR P4-2004-68, Dubna, 2004. F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/0505021 9 May 2005.

Electroluminescence and Photocurrent Generation from Atomically Sharp WSe2/MoS2 Heterojunction p–n Diodes

PubMed Central

2015-01-01

The p–n diodes represent the most fundamental device building blocks for diverse optoelectronic functions, but are difficult to achieve in atomically thin transition metal dichalcogenides (TMDs) due to the challenges in selectively doping them into p- or n-type semiconductors. Here, we demonstrate that an atomically thin and sharp heterojunction p–n diode can be created by vertically stacking p-type monolayer tungsten diselenide (WSe2) and n-type few-layer molybdenum disulfide (MoS2). Electrical measurements of the vertically staked WSe2/MoS2 heterojunctions reveal excellent current rectification behavior with an ideality factor of 1.2. Photocurrent mapping shows rapid photoresponse over the entire overlapping region with a highest external quantum efficiency up to 12%. Electroluminescence studies show prominent band edge excitonic emission and strikingly enhanced hot-electron luminescence. A systematic investigation shows distinct layer-number dependent emission characteristics and reveals important insight about the origin of hot-electron luminescence and the nature of electron–orbital interaction in TMDs. We believe that these atomically thin heterojunction p–n diodes represent an interesting system for probing the fundamental electro-optical properties in TMDs and can open up a new pathway to novel optoelectronic devices such as atomically thin photodetectors, photovoltaics, as well as spin- and valley-polarized light emitting diodes, on-chip lasers. PMID:25157588

FAST TRACK COMMUNICATION: Novel mechanism for nanoscale catalysis

NASA Astrophysics Data System (ADS)

Msezane, Alfred Z.; Felfli, Zineb; Sokolovski, Dmitri

2010-10-01

The interplay between Regge resonances and Ramsauer-Townsend minima in the electron elastic total cross sections for Au and Pd atoms along with their large electron affinities is proposed as the fundamental atomic mechanism responsible for the observed exceptional catalytic properties of Au nanoparticles and to explain why the combination Au-Pd possesses an even higher catalytic activity than Au or Pd separately when catalyzing H2O2, consistent with recent experiments. The investigation uses the recent complex angular momentum description of electron scattering from neutral atoms and the proposed mechanism in general.

Ab initio molecular dynamics study of thermite reaction at Al and CuO nano-interfaces at different temperatures

NASA Astrophysics Data System (ADS)

Tang, Cui-Ming; Chen, Xiao-Xu; Cheng, Xin-Lu; Zhang, Chao-Yang; Lu, Zhi-Peng

2018-05-01

The thermite reaction at Al/CuO nano-interfaces is investigated with ab initio molecular dynamics calculations in canonical ensemble at 500 K, 800 K, 1200 K and 1500 K, respectively. The reaction process and reaction products are analyzed in terms of chemical bonds, average charge, time constants and total potential energy. The activity of the reactants enhances with increasing temperature, which induces a faster thermite reaction. The alloy reaction obviously expands outward at Cu-rich interface of Al/CuO system, and the reaction between Al and O atoms obviously expands outward at O-rich interface as temperature increases. Different reaction products are found at the outermost layer of different interfaces in the Al/CuO system. In generally, the average charge of the outer layer aluminum atoms (i.e., Al1, Al2, Al5 and Al6) increases with temperature. The potential energy of Al/CuO system decreases significantly, which indicates that drastic exothermic reaction occurs at the Al/CuO system. This research enhances fundamental understanding in temperature effect on the thermite reaction at atomic level, which can potentially open new possibilities for its industrial application.

The Global Positioning System: a high-tech success story

NASA Astrophysics Data System (ADS)

Ashby, Neil

2002-03-01

The Global Positioning System (GPS) consists of 24 or more satellites in twelve-hour orbits, each carrying atomic clocks and transmitting synchronized time and position information. The satellite system is supported by time referencing and processing centers, and data collection stations around the world. The signals make possible accurate navigation anywhere in the vicinity of Earth. There is probably no other large engineering system that relies on a broader range of applications of fundamental modern physics, such as special and general relativity, and atomic physics. Atomic clocks only a few inches on a side have been developed to an almost incredible stage of reliability and stability. Modern circuit fabrication techniques produce GPS receivers on a chip at cost comparable to that of handheld cell phones. Widespread availability and low cost in the civilian sector has led to a host of interesting applications. The economic impact of GPS is in the billions of dollars annually and is increasing. A comparable system, currently with only a few satellites, is the Soviet GLONASS. Europeans are developing another competitor, GALILEO, and have plans to place Hydrogen masers in space. These systems are changing the way we determine where we are and are revolutionizing many fields of scientific research.

Perspective: Size selected clusters for catalysis and electrochemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halder, Avik; Curtiss, Larry A.; Fortunelli, Alessandro

We report that size-selected clusters containing a handful of atoms may possess noble catalytic properties different from nano-sized or bulk catalysts. Size- and composition-selected clusters can also serve as models of the catalytic active site, where an addition or removal of a single atom can have a dramatic effect on their activity and selectivity. In this Perspective, we provide an overview of studies performed under both ultra-high vacuum and realistic reaction conditions aimed at the interrogation, characterization and understanding of the performance of supported size-selected clusters in heterogeneous and electrochemical reactions, which address the effects of cluster size, cluster composition,more » cluster-support interactions and reaction conditions, the key parameters for the understanding and control of catalyst functionality. Computational modelling based on density functional theory sampling of local minima and energy barriers or ab initio Molecular Dynamics simulations is an integral part of this research by providing fundamental understanding of the catalytic processes at the atomic level, as well as by predicting new materials compositions which can be validated in experiments. Lastly, we discuss approaches which aim at the scale up of the production of well-defined clusters for use in real world applications.« less

Perspective: Size selected clusters for catalysis and electrochemistry

DOE PAGES

Halder, Avik; Curtiss, Larry A.; Fortunelli, Alessandro; ...

2018-03-15

We report that size-selected clusters containing a handful of atoms may possess noble catalytic properties different from nano-sized or bulk catalysts. Size- and composition-selected clusters can also serve as models of the catalytic active site, where an addition or removal of a single atom can have a dramatic effect on their activity and selectivity. In this Perspective, we provide an overview of studies performed under both ultra-high vacuum and realistic reaction conditions aimed at the interrogation, characterization and understanding of the performance of supported size-selected clusters in heterogeneous and electrochemical reactions, which address the effects of cluster size, cluster composition,more » cluster-support interactions and reaction conditions, the key parameters for the understanding and control of catalyst functionality. Computational modelling based on density functional theory sampling of local minima and energy barriers or ab initio Molecular Dynamics simulations is an integral part of this research by providing fundamental understanding of the catalytic processes at the atomic level, as well as by predicting new materials compositions which can be validated in experiments. Lastly, we discuss approaches which aim at the scale up of the production of well-defined clusters for use in real world applications.« less

Perspective: Size selected clusters for catalysis and electrochemistry

NASA Astrophysics Data System (ADS)

Halder, Avik; Curtiss, Larry A.; Fortunelli, Alessandro; Vajda, Stefan

2018-03-01

Size-selected clusters containing a handful of atoms may possess noble catalytic properties different from nano-sized or bulk catalysts. Size- and composition-selected clusters can also serve as models of the catalytic active site, where an addition or removal of a single atom can have a dramatic effect on their activity and selectivity. In this perspective, we provide an overview of studies performed under both ultra-high vacuum and realistic reaction conditions aimed at the interrogation, characterization, and understanding of the performance of supported size-selected clusters in heterogeneous and electrochemical reactions, which address the effects of cluster size, cluster composition, cluster-support interactions, and reaction conditions, the key parameters for the understanding and control of catalyst functionality. Computational modeling based on density functional theory sampling of local minima and energy barriers or ab initio molecular dynamics simulations is an integral part of this research by providing fundamental understanding of the catalytic processes at the atomic level, as well as by predicting new materials compositions which can be validated in experiments. Finally, we discuss approaches which aim at the scale up of the production of well-defined clusters for use in real world applications.

Composite pulses for interferometry in a thermal cold atom cloud

NASA Astrophysics Data System (ADS)

Dunning, Alexander; Gregory, Rachel; Bateman, James; Cooper, Nathan; Himsworth, Matthew; Jones, Jonathan A.; Freegarde, Tim

2014-09-01

Atom interferometric sensors and quantum information processors must maintain coherence while the evolving quantum wave function is split, transformed, and recombined, but suffer from experimental inhomogeneities and uncertainties in the speeds and paths of these operations. Several error-correction techniques have been proposed to isolate the variable of interest. Here we apply composite pulse methods to velocity-sensitive Raman state manipulation in a freely expanding thermal atom cloud. We compare several established pulse sequences, and follow the state evolution within them. The agreement between measurements and simple predictions shows the underlying coherence of the atom ensemble, and the inversion infidelity in a ˜80μK atom cloud is halved. Composite pulse techniques, especially if tailored for atom interferometric applications, should allow greater interferometer areas, larger atomic samples, and longer interaction times, and hence improve the sensitivity of quantum technologies from inertial sensing and clocks to quantum information processors and tests of fundamental physics.

Final Report for DE-SC0008059

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karnik, Rohit

Graphene, a one-atom thick material comprising hexagonally bonded carbon atoms, is one of the strongest materials known and is impermeable to even helium gas. The potential for creation of tunable nanometer-scale pores in graphene, combined with mechanical strength, chemical resistance, and atomic thickness, make it a promising material for improving selectivity, permeability, and energy efficiency in a diverse range of membrane separations. However, fundamental understanding of creation of porous graphene, its mass transport properties, and the relationship between porosity and membrane performance is lacking. This project studied methods to create pores in graphene by ion irradiation and etching, and investigatedmore » the effect of the porosity of graphene on mass transport properties at the membrane level as well as across individual pores. Detailed characterization of pore size distributions in graphene using high-resolution scanning transmission electron microscopy was performed to elucidate the relationship between different pore creation processes and the resulting porosity. New methods to create tunable nanometer-scale pores in graphene at high density over large areas were developed. Graphene membranes were fabricated comprising single-layer porous graphene on appropriate support membranes. Mass transport of ions, molecules, water, and gases across the membranes was investigated, and predictive models were developed to relate the graphene porosity and support membrane structure to the mass transport properties of the membranes. The effect of graphene porosity on permeance of the membranes to water, salts, and small molecules was experimentally quantified. Single-pore measurements were performed and a model was developed to understand ion transport across graphene pores, which led to the experimental observation of heterogeneity in transport behaviors and spontaneous fluctuations of ion transport. Functional single-layer nanoporous graphene membranes comprising a high density of pores over macro-scale areas with molecular selectivity were demonstrated for the first time. This project led to three patent applications and 9 journal articles. The fundamental developments in understanding nanoporous graphene membranes have laid the foundations to develop energy-efficient nanoporous graphene membranes for various applications in water desalination, oil and natural gas separations, biotechnology, and chemical processing.« less

Fundamental Physics

NASA Image and Video Library

2003-01-22

Still photographs taken over 16 hours on Nov. 13, 2001, on the International Space Station have been condensed into a few seconds to show the de-mixing -- or phase separation -- process studied by the Experiment on Physics of Colloids in Space. Commanded from the ground, dozens of similar tests have been conducted since the experiment arrived on ISS in 2000. The sample is a mix of polymethylmethacrylate (PMMA or acrylic) colloids, polystyrene polymers and solvents. The circular area is 2 cm (0.8 in.) in diameter. The phase separation process occurs spontaneously after the sample is mechanically mixed. The evolving lighter regions are rich in colloid and have the structure of a liquid. The dark regions are poor in colloids and have the structure of a gas. This behavior carnot be observed on Earth because gravity causes the particles to fall out of solution faster than the phase separation can occur. While similar to a gas-liquid phase transition, the growth rate observed in this test is different from any atomic gas-liquid or liquid-liquid phase transition ever measured experimentally. Ultimately, the sample separates into colloid-poor and colloid-rich areas, just as oil and vinegar separate. The fundamental science of de-mixing in this colloid-polymer sample is the same found in the annealing of metal alloys and plastic polymer blends. Improving the understanding of this process may lead to improving processing of these materials on Earth.

Dissipative production of a maximally entangled steady state of two quantum bits.

PubMed

Lin, Y; Gaebler, J P; Reiter, F; Tan, T R; Bowler, R; Sørensen, A S; Leibfried, D; Wineland, D J

2013-12-19

Entangled states are a key resource in fundamental quantum physics, quantum cryptography and quantum computation. Introduction of controlled unitary processes--quantum gates--to a quantum system has so far been the most widely used method to create entanglement deterministically. These processes require high-fidelity state preparation and minimization of the decoherence that inevitably arises from coupling between the system and the environment, and imperfect control of the system parameters. Here we combine unitary processes with engineered dissipation to deterministically produce and stabilize an approximate Bell state of two trapped-ion quantum bits (qubits), independent of their initial states. Compared with previous studies that involved dissipative entanglement of atomic ensembles or the application of sequences of multiple time-dependent gates to trapped ions, we implement our combined process using trapped-ion qubits in a continuous time-independent fashion (analogous to optical pumping of atomic states). By continuously driving the system towards the steady state, entanglement is stabilized even in the presence of experimental noise and decoherence. Our demonstration of an entangled steady state of two qubits represents a step towards dissipative state engineering, dissipative quantum computation and dissipative phase transitions. Following this approach, engineered coupling to the environment may be applied to a broad range of experimental systems to achieve desired quantum dynamics or steady states. Indeed, concurrently with this work, an entangled steady state of two superconducting qubits was demonstrated using dissipation.

Fundamental Studies and Isolation Strategies for Metal Compound Nanoclusters

DTIC Science & Technology

2009-02-28

probe nanocluster structure, bonding and stability, metal oxide, carbide and silicide clusters with up to 50 atoms were investigated with mass...transition metal compounds (carbides, oxides, silicides ) that are expected to have high stability, an essential property for their isolation...Metal carbide, oxide and silicide nanoclusters are studied in the size range from a few up to about 300 atoms. New infrared laser spectroscopy

Determination of Pb in Biological Samples by Graphite Furnace Atomic Absorption Spectrophotometry: An Exercise in Common Interferences and Fundamental Practices in Trace Element Determination

ERIC Educational Resources Information Center

Spudich, Thomas M.; Herrmann, Jennifer K.; Fietkau, Ronald; Edwards, Grant A.

2004-01-01

An experiment is conducted to ascertain trace-level Pb in samples of bovine liver or muscle by applying graphite furnace atomic absorption spectrophotometry (GFAAS). The primary objective is to display the effects of physical and spectral intrusions in determining trace elements, and project the usual methods employed to minimize accuracy errors…

Multi-photon ionization of atoms in intense short-wavelength radiation fields

NASA Astrophysics Data System (ADS)

Meyer, Michael

2015-05-01

The unprecedented characteristics of XUV and X-ray Free Electron Lasers (FELs) have stimulated numerous investigations focusing on the detailed understanding of fundamental photon-matter interactions in atoms and molecules. In particular, the high intensities (up to 106 W/cm2) giving rise to non-linear phenomena in the short wavelength regime. The basic phenomenology involves the production of highly charged ions via electron emission to which both sequential and direct multi-photon absorption processes contribute. The detailed investigation of the role and relative weight of these processes under different conditions (wavelength, pulse duration, intensity) is the key element for a comprehensive understanding of the ionization dynamics. Here the results of recent investigations are presented, performed at the FELs in Hamburg (FLASH) and Trieste (FERMI) on atomic systems with electronic structures of increasing complexity (Ar, Ne and Xe). Mainly, electron spectroscopy is used to obtain quantitative information about the relevance of various multi-photon ionization processes. For the case of Ar, a variety of processes including above threshold ionization (ATI) from 3p and 3s valence shells, direct 2p two-photon ionization and resonant 2p-4p two-photon excitations were observed and their role was quantitatively determined comparing the experimental ionization yields to ab-initio calculations of the cross sections for the multi-photon processes. Using Ar as a benchmark to prove the reliability of the combined experimental and theoretical approach, the more complex and intriguing case of Xe was studied. Especially, the analysis of the two-photon ATI from the Xe 4d shell reveals new insight into the character of the 4d giant resonance, which was unresolved in the linear one-photon regime. Finally, the influence of intense XUV radiation to the relaxation dynamics of the Ne 2s-3p resonance was investigated by angle-resolved electron spectroscopy, especially be observing the intensity dependent variation of the angular distribution patterns for the sequential ionization process.

Atomtronics: Realizing the behavior of electronic components in ultracold atomic systems

NASA Astrophysics Data System (ADS)

Pepino, Ron

2007-06-01

Atomtronics focuses on creating an analogy of electronic devices and circuits with ultracold atoms. Such an analogy can come from the highly tunable band structure of ultracold neutral atoms trapped in optical lattices. Solely by tuning the parameters of the optical lattice, we demonstrate that conditions can be created that cause atoms in lattices to exhibit the same behavior as electrons moving through solid state media. We present our model and show how the atomtronic diode, field effect transistor, and bipolar junction transistor can all be realized. Our analogs of these fundamental components exhibit precisely-controlled atomic signal amplification, trimming, and switching (on/off) characteristics. In addition, the evolution of dynamics of the superfluid atomic currents within these systems is completely reversible. This implies a possible use of atomtronic systems in the development of quantum computational devices.

Dynamic fracture of tantalum under extreme tensile stress.

PubMed

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily; Faenov, Anatoly; Habara, Hideaki; Harmand, Marion; Hartley, Nicholas; Ilnitsky, Denis; Inogamov, Nail; Inubushi, Yuichi; Ishikawa, Tetsuya; Katayama, Tetsuo; Koyama, Takahisa; Koenig, Michel; Krygier, Andrew; Matsuoka, Takeshi; Matsuyama, Satoshi; McBride, Emma; Migdal, Kirill Petrovich; Morard, Guillaume; Ohashi, Haruhiko; Okuchi, Takuo; Pikuz, Tatiana; Purevjav, Narangoo; Sakata, Osami; Sano, Yasuhisa; Sato, Tomoko; Sekine, Toshimori; Seto, Yusuke; Takahashi, Kenjiro; Tanaka, Kazuo; Tange, Yoshinori; Togashi, Tadashi; Tono, Kensuke; Umeda, Yuhei; Vinci, Tommaso; Yabashi, Makina; Yabuuchi, Toshinori; Yamauchi, Kazuto; Yumoto, Hirokatsu; Kodama, Ryosuke

2017-06-01

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power optical laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of [Formula: see text] ~2 × 10 8 to 3.5 × 10 8 s -1 . A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions.

Dynamic fracture of tantalum under extreme tensile stress

PubMed Central

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily; Faenov, Anatoly; Habara, Hideaki; Harmand, Marion; Hartley, Nicholas; Ilnitsky, Denis; Inogamov, Nail; Inubushi, Yuichi; Ishikawa, Tetsuya; Katayama, Tetsuo; Koyama, Takahisa; Koenig, Michel; Krygier, Andrew; Matsuoka, Takeshi; Matsuyama, Satoshi; McBride, Emma; Migdal, Kirill Petrovich; Morard, Guillaume; Ohashi, Haruhiko; Okuchi, Takuo; Pikuz, Tatiana; Purevjav, Narangoo; Sakata, Osami; Sano, Yasuhisa; Sato, Tomoko; Sekine, Toshimori; Seto, Yusuke; Takahashi, Kenjiro; Tanaka, Kazuo; Tange, Yoshinori; Togashi, Tadashi; Tono, Kensuke; Umeda, Yuhei; Vinci, Tommaso; Yabashi, Makina; Yabuuchi, Toshinori; Yamauchi, Kazuto; Yumoto, Hirokatsu; Kodama, Ryosuke

2017-01-01

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power optical laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of ε. ~2 × 108 to 3.5 × 108 s−1. A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions. PMID:28630909

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power opticalmore » laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of Embedded Image ~2 × 10 8 to 3.5 × 10 8 s -1. A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions.« less

Electron-Beam Atomic Spectroscopy for In Situ Measurements of Melt Composition for Refractory Metals: Analysis of Fundamental Physics and Plasma Models

NASA Astrophysics Data System (ADS)

Gasper, Paul Joseph; Apelian, Diran

2015-04-01

Electron-beam (EB) melting is used for the processing of refractory metals, such as Ta, Nb, Mo, and W. These metals have high value and are critical to many industries, including the semiconductor, aerospace, and nuclear industries. EB melting can also purify secondary feedstock, enabling the recovery and recycling of these materials. Currently, there is no method for measuring melt composition in situ during EB melting. Optical emission spectroscopy of the plasma generated by EB impact with vapor above the melt, a technique here termed electron-beam atomic spectroscopy, can be used to measure melt composition in situ, allowing for analysis of melt dynamics, facilitating improvement of EB melting processes and aiding recycling and recovery of these critical and high-value metals. This paper reviews the physics of the plasma generation by EB impact by characterizing the densities and energies of electrons, ions, and neutrals, and describing the interactions between them. Then several plasma models are introduced and their suitability to this application analyzed. Lastly, a potential method for calibration-free composition measurement is described and the challenges for implementation addressed.

Charge Exchange X-Ray Emission due to Highly Charged Ion Collisions with H, He, and H2: Line Ratios for Heliospheric and Interstellar Applications

NASA Astrophysics Data System (ADS)

Cumbee, R. S.; Mullen, P. D.; Lyons, D.; Shelton, R. L.; Fogle, M.; Schultz, D. R.; Stancil, P. C.

2018-01-01

The fundamental collisional process of charge exchange (CX) has been established as a primary source of X-ray emission from the heliosphere, planetary exospheres, and supernova remnants. In this process, X-ray emission results from the capture of an electron by a highly charged ion from a neutral atom or molecule, to form a highly excited, high-charge state ion. As the captured electron cascades down to the lowest energy level, photons are emitted, including X-rays. To provide reliable CX-induced X-ray spectral models to realistically simulate these environments, line ratios and spectra are computed using theoretical CX cross sections obtained with the multi-channel Landau-Zener, atomic-orbital close-coupling, molecular-orbital close-coupling, and classical trajectory Monte Carlo methods for various collisional velocities relevant to astrophysics. X-ray spectra were computed for collisions of bare and H-like C to Al ions with H, He, and H2 with results compared to available experimental data. Using these line ratios, XSPEC models of CX emission in the northeast rim of the Cygnus Loop supernova remnant and the heliosphere are shown as examples with ion velocity dependence.

Photoemission and photoionization time delays and rates

PubMed Central

Gallmann, L.; Jordan, I.; Wörner, H. J.; Castiglioni, L.; Hengsberger, M.; Osterwalder, J.; Arrell, C. A.; Chergui, M.; Liberatore, E.; Rothlisberger, U.; Keller, U.

2017-01-01

Ionization and, in particular, ionization through the interaction with light play an important role in fundamental processes in physics, chemistry, and biology. In recent years, we have seen tremendous advances in our ability to measure the dynamics of photo-induced ionization in various systems in the gas, liquid, or solid phase. In this review, we will define the parameters used for quantifying these dynamics. We give a brief overview of some of the most important ionization processes and how to resolve the associated time delays and rates. With regard to time delays, we ask the question: how long does it take to remove an electron from an atom, molecule, or solid? With regard to rates, we ask the question: how many electrons are emitted in a given unit of time? We present state-of-the-art results on ionization and photoemission time delays and rates. Our review starts with the simplest physical systems: the attosecond dynamics of single-photon and tunnel ionization of atoms in the gas phase. We then extend the discussion to molecular gases and ionization of liquid targets. Finally, we present the measurements of ionization delays in femto- and attosecond photoemission from the solid–vacuum interface. PMID:29308414

Elementary surface processes during reactive magnetron sputtering of chromium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monje, Sascha; Corbella, Carles, E-mail: carles.corbella@rub.de; Keudell, Achim von

2015-10-07

The elementary surface processes occurring on chromium targets exposed to reactive plasmas have been mimicked in beam experiments by using quantified fluxes of Ar ions (400–800 eV) and oxygen atoms and molecules. For this, quartz crystal microbalances were previously coated with Cr thin films by means of high-power pulsed magnetron sputtering. The measured growth and etching rates were fitted by flux balance equations, which provided sputter yields of around 0.05 for the compound phase and a sticking coefficient of O{sub 2} of 0.38 on the bare Cr surface. Further fitted parameters were the oxygen implantation efficiency and the density of oxidationmore » sites at the surface. The increase in site density with a factor 4 at early phases of reactive sputtering is identified as a relevant mechanism of Cr oxidation. This ion-enhanced oxygen uptake can be attributed to Cr surface roughening and knock-on implantation of oxygen atoms deeper into the target. This work, besides providing fundamental data to control oxidation state of Cr targets, shows that the extended Berg's model constitutes a robust set of rate equations suitable to describe reactive magnetron sputtering of metals.« less

Electron correlation in real time.

PubMed

Sansone, Giuseppe; Pfeifer, Thomas; Simeonidis, Konstantinos; Kuleff, Alexander I

2012-02-01

Electron correlation, caused by the interaction among electrons in a multielectron system, manifests itself in all states of matter. A complete theoretical description of interacting electrons is challenging; different approximations have been developed to describe the fundamental aspects of the correlation that drives the evolution of simple (few-electron systems in atoms/molecules) as well as complex (multielectron wave functions in atoms, molecules, and solids) systems. Electron correlation plays a key role in the relaxation mechanisms that characterize excited states of neutral or ionized atoms and molecules populated by absorption of extreme ultraviolet (XUV) or X-ray radiation. The dynamics of these states can lead to different processes such as Fano resonance and Auger decay in atoms or interatomic Coulombic decay or charge migration in molecules and clusters. Many of these relaxation mechanisms are ubiquitous in nature and characterize the interaction of complex systems, such as biomolecules, adsorbates on surfaces, and hydrogen-bonded clusters, with XUV light. These mechanisms evolve typically on the femtosecond (1 fs=10(-15) s) or sub-femtosecond timescale. The experimental availability of few-femtosecond and attosecond (1 as=10(-18) s) XUV pulses achieved in the last 10 years offers, for the first time, the opportunity to excite and probe in time these dynamics giving the possibility to trace and control multielectron processes. The generation of ultrashort XUV radiation has triggered the development and application of spectroscopy techniques that can achieve time resolution well into the attosecond domain, thereby offering information on the correlated electronic motion and on the correlation between electron and nuclear motion. A deeper understanding of how electron correlation works could have a large impact in several research fields, such as biochemistry and biology, and trigger important developments in the design and optimization of electronic devices. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hybrid quantum logic and a test of Bell's inequality using two different atomic isotopes.

PubMed

Ballance, C J; Schäfer, V M; Home, J P; Szwer, D J; Webster, S C; Allcock, D T C; Linke, N M; Harty, T P; Aude Craik, D P L; Stacey, D N; Steane, A M; Lucas, D M

2015-12-17

Entanglement is one of the most fundamental properties of quantum mechanics, and is the key resource for quantum information processing (QIP). Bipartite entangled states of identical particles have been generated and studied in several experiments, and post-selected or heralded entangled states involving pairs of photons, single photons and single atoms, or different nuclei in the solid state, have also been produced. Here we use a deterministic quantum logic gate to generate a 'hybrid' entangled state of two trapped-ion qubits held in different isotopes of calcium, perform full tomography of the state produced, and make a test of Bell's inequality with non-identical atoms. We use a laser-driven two-qubit gate, whose mechanism is insensitive to the qubits' energy splittings, to produce a maximally entangled state of one (40)Ca(+) qubit and one (43)Ca(+) qubit, held 3.5 micrometres apart in the same ion trap, with 99.8 ± 0.6 per cent fidelity. We test the CHSH (Clauser-Horne-Shimony-Holt) version of Bell's inequality for this novel entangled state and find that it is violated by 15 standard deviations; in this test, we close the detection loophole but not the locality loophole. Mixed-species quantum logic is a powerful technique for the construction of a quantum computer based on trapped ions, as it allows protection of memory qubits while other qubits undergo logic operations or are used as photonic interfaces to other processing units. The entangling gate mechanism used here can also be applied to qubits stored in different atomic elements; this would allow both memory and logic gate errors caused by photon scattering to be reduced below the levels required for fault-tolerant quantum error correction, which is an essential prerequisite for general-purpose quantum computing.

Studies of Ionic Photoionization Using Relativistic Random Phase Approximation and Relativistic Multichannel Quantum Defect Theory

NASA Astrophysics Data System (ADS)

Haque, Ghousia Nasreen

The absorption of electromagnetic radiation by positive ions is one of the fundamental processes of nature which occurs in every intensely hot environment. Due to the difficulties in producing sufficient densities of ions in a laboratory, there are very few measurements of ionic photoabsorption parameters. On the theoretical side, some calculations have been made of a few major photoionization parameters, but generally speaking, most of the work done so far has employed rather simple single particle models and any theoretical work which has adequately taken into account intricate atomic many-body and relativistic effects is only scanty. In the present work, several complex aspects of atomic/ionic photoabsorption parameters have been studied. Non -resonant photoionization in neon and argon isonuclear as well as isoelectronic sequences has been studied using a very sophisticated technique, namely the relativistic random phase approximation (RRPA). This technique takes into account relativistic effects as well as an important class of major many-body effects on the same footing. The present calculations confirmed that gross features of photoionization parameters calculated using simpler models were not an artifact of the simple model. Also, the present RRPA calculations on K^+ ion and neutral Ar brought out the relative importance of various many-body effects such the inter-channel coupling. Inter-channel coupling between discrete bound state photoexcitation channels from an inner atomic/ionic level and photoionization continuum channels from an outer atomic/ionic level leads to the phenomena of autoionization resonances in the photoionization process. These resonances lead to very complex effects in the atomic/ionic photoabsorption spectra. These resonances have been calculated and studied in the present work in the neon and magnesium isoelectronic sequences using the relativistic multi-channel quantum defect theory (RMQDT) within the framework of the RRPA. The character of the autoionization resonances studied was determined in the present work and the effect of series perturbations in the Rydberg series due to interference between various multichannel processes was quantitatively determined. Furthermore, results of the present calculations also serve as important pointer to measure the relative strengths of radiative (fluorescence) decay modes and non -radiative (autoionization/auger) decay modes in an isoelectronic sequence.

Crystal Growth and Other Materials Physical Researches in Space Environment

NASA Astrophysics Data System (ADS)

Pan, Mingxiang

Material science researches in space environment are based on reducing the effects of buoyancy driven transport, the effects of atomic oxygen, radiation, extremes of heat and cold and the ultrahigh vacuum, so as to unveil the underlying fundamental phenomena, lead maybe to new potential materials or new industrial processes and develop space techniques. Currently, research program on materials sciences in Chinese Manned Space Engineering (CMSE) is going on. More than ten projects related to crystal growth and materials processes are selected as candidates to be executed in Shenzhou spacecraft, Tiangong Space Laboratory and Chinese Space Station. In this talk, we will present some examples of the projects, which are being prepared and executed in the near future flight tasks. They are both basic and applied research, from discovery to technology.

Continuous-wave, single-frequency 229  nm laser source for laser cooling of cadmium atoms.

PubMed

Kaneda, Yushi; Yarborough, J M; Merzlyak, Yevgeny; Yamaguchi, Atsushi; Hayashida, Keitaro; Ohmae, Noriaki; Katori, Hidetoshi

2016-02-15

Continuous-wave output at 229 nm for the application of laser cooling of Cd atoms was generated by the fourth harmonic using two successive second-harmonic generation stages. Employing a single-frequency optically pumped semiconductor laser as a fundamental source, 0.56 W of output at 229 nm was observed with a 10-mm long, Brewster-cut BBO crystal in an external cavity with 1.62 W of 458 nm input. Conversion efficiency from 458 nm to 229 nm was more than 34%. By applying a tapered amplifier (TA) as a fundamental source, we demonstrated magneto-optical trapping of all stable Cd isotopes including isotopes Cd111 and Cd113, which are applicable to optical lattice clocks.

Growth and process identification of CuInS 2 on GaP by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Hwang, H. L.; Sun, C. Y.; Fang, C. S.; Chang, S. D.; Cheng, C. H.; Yang, M. H.; Lin, H. H.; Tuwan-Mu, H.

1981-10-01

Experimental techniques for growing CuInS 2 layers on GaP substrates by the metalorganic method have been developed. Hydrogen sulfide gas together with the vapors of CuCl( NCCH3) n and InCl3( NCCH3) both of which were generated by bubbling nitrogen through sources, using a solvent of acetonitride, were used as transport agents. Various characterization techniques such as atomic absorption (AA), neutron activation analysis (NAA), energy dispersive analysis by X-rays (EDAX), Rutherford back-scattering analysis (RBS), and X-ray analyses were used to help understand the fundamental mechanism of the CVD growth.

Time resolved study of hydroxyl radical oxidation of oleic acid at the air-water interface

NASA Astrophysics Data System (ADS)

Zhang, Xinxing; Barraza, Kevin M.; Upton, Kathleen T.; Beauchamp, J. L.

2017-09-01

The ubiquity of oleic acid (OA) renders it a poster child for laboratory investigations of environmental oxidation chemistry. In the current study, mechanistic details of the oxidation of OA by hydroxyl radicals at the air-water interface are investigated using field-induced droplet ionization mass spectrometry (FIDI-MS). Products from OH oxidation of both unsaturated and saturated carbon atoms are identified, and mechanisms for both types of oxidation processes are proposed. Uptake of oxygen in the interfacial layer increases linearly with time, consistent with Langmuir-Hinshelwood reaction kinetics. These results provide fundamental knowledge relating to OH initiated degradation of fatty acids in atmospheric aerosols.

Observation and elimination of broken symmetry in L1{sub 0} FePt nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quarterman, P.; Wang, Hao; Qiu, Jiao-Ming

2015-12-07

An unexplained surface anisotropy effect was observed and confirmed in the magnetization reversal process of both L1{sub 0} phase FePt nanoparticles with octahedral shape and (001) textured L1{sub 0} FePt thin films with island nanostructures. We suggest that the nature of the observed surface effect is caused by broken symmetry on the FePt surface, which results in weakened exchange coupling for surface atoms. Furthermore, we propose, and experimentally demonstrate, a method to repair the broken symmetry by capping the FePt islands with a Pt layer, which could prove invaluable in understanding fundamental limitations of magnetic nanostructures.

Which strategy for a protein crystallization project?

NASA Technical Reports Server (NTRS)

Kundrot, C. E.

2004-01-01

The three-dimensional, atomic-resolution protein structures produced by X-ray crystallography over the past 50+ years have led to tremendous chemical understanding of fundamental biochemical processes. The pace of discovery in protein crystallography has increased greatly with advances in molecular biology, crystallization techniques, cryocrystallography, area detectors, synchrotrons and computing. While the methods used to produce single, well-ordered crystals have also evolved over the years in response to increased understanding and advancing technology, crystallization strategies continue to be rooted in trial-and-error approaches. This review summarizes the current approaches in protein crystallization and surveys the first results to emerge from the structural genomics efforts.

Which Strategy for a Protein Crystallization Project?

NASA Technical Reports Server (NTRS)

Kundrot, Craig E.

2003-01-01

The three-dimensional, atomic-resolution protein structures produced by X-ray crystallography over the past 50+ years have led to tremendous chemical understanding of fundamental biochemical processes. The pace of discovery in protein crystallography has increased greatly with advances in molecular biology, crystallization techniques, cryo-crystallography, area detectors, synchrotrons and computing. While the methods used to produce single, well-ordered crystals have also evolved over the years in response to increased understanding and advancing technology, crystallization strategies continue to be rooted in trial-and-error approaches. This review summarizes the current approaches in protein crystallization and surveys the first results to emerge from the structural genomics efforts.

FUNDAMENTAL AREAS OF PHENOMENOLOGY (INCLUDING APPLICATIONS): Teleportation of Entangled States through Divorce of Entangled Pair Mediated by a Weak Coherent Field in a High-Q Cavity

NASA Astrophysics Data System (ADS)

Cardoso B., W.; Almeida G. de, N.

2008-07-01

We propose a scheme to partially teleport an unknown entangled atomic state. A high-Q cavity, supporting one mode of a weak coherent state, is needed to accomplish this process. By partial teleportation we mean that teleportation will occur by changing one of the partners of the entangled state to be teleported. The entangled state to be teleported is composed by one pair of particles, we called this surprising characteristic of maintaining the entanglement, even when one of the particle of the entangled pair being teleported is changed, of divorce of entangled states.

Potential Energy Curves and Collisions Integrals of Air Components. 2; Interactions Involving Ionized Atoms

NASA Technical Reports Server (NTRS)

Stallcop, James R.; Partridge, Harry; Levin, Eugene; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

Collision integrals are fundamental quantities required to determine the transport properties of the environment surrounding aerospace vehicles in the upper atmosphere. These collision integrals can be determined as a function of temperature from the potential energy curves describing the atomic and molecular collisions. Ab initio calculations provide a practical method of computing the required interaction potentials. In this work we will discuss recent advances in scattering calculations with an emphasis on the accuracy that is obtainable. Results for interactions of the atoms and ionized atoms of nitrogen and oxygen will be reviewed and their application to the determination of transport properties, such as diffusion and viscosity coefficients, will be examined.

SLAC All Access: Atomic, Molecular and Optical Science Instrument

ScienceCinema

Bozek, John

2018-02-13

John Bozek, a staff scientist at SLAC's Linac Coherent Light Source (LCLS) X-ray laser who manages the LCLS Soft X-ray Department, takes us behind the scenes at the Atomic, Molecular and Optical Science (AMO) instrument, the first of six experimental stations now operating at LCLS. Samples used in AMO experiments include atoms, molecules, clusters, and nanoscale objects such as protein crystals or viruses. Science performed at AMO includes fundamental studies of light-matter interactions in the extreme X-ray intensity of the LCLS pules, time-resolved studies of increasingly charged states of atoms and molecules, X-ray diffraction imaging of nanocrystals, and single-shot imaging of a variety of objects.

Reflective Amplification without Population Inversion from a Strongly Driven Superconducting Qubit

NASA Astrophysics Data System (ADS)

Wen, P. Y.; Kockum, A. F.; Ian, H.; Chen, J. C.; Nori, F.; Hoi, I.-C.

2018-02-01

Amplification of optical or microwave fields is often achieved by strongly driving a medium to induce population inversion such that a weak probe can be amplified through stimulated emission. Here we strongly couple a superconducting qubit, an artificial atom, to the field in a semi-infinite waveguide. When driving the qubit strongly on resonance such that a Mollow triplet appears, we observe a 7% amplitude gain for a weak probe at frequencies in between the triplet. This amplification is not due to population inversion, neither in the bare qubit basis nor in the dressed-state basis, but instead results from a four-photon process that converts energy from the strong drive to the weak probe. We find excellent agreement between the experimental results and numerical simulations without any free fitting parameters. Since our device consists of a single two-level artificial atom, the simplest possible quantum system, it can be viewed as the most fundamental version of a four-wave-mixing parametric amplifier.

Activated recombinative desorption: A potential component in mechanisms of spacecraft glow

NASA Technical Reports Server (NTRS)

Cross, J. B.

1985-01-01

The concept of activated recombination of atomic species on surfaces can explain the production of vibrationally and translationally excited desorbed molecular species. Equilibrium statistical mechanics predicts that the molecular quantum state distributions of desorbing molecules is a function of surface temperature only when the adsorption probability is unity and independent of initial collision conditions. In most cases, the adsorption probability is dependent upon initial conditions such as collision energy or internal quantum state distribution of impinging molecules. From detailed balance, such dynamical behavior is reflected in the internal quantum state distribution of the desorbing molecule. This concept, activated recombinative desorption, may offer a common thread in proposed mechanisms of spacecraft glow. Using molecular beam techniques and equipment available at Los Alamos, which includes a high translational energy 0-atom beam source, mass spectrometric detection of desorbed species, chemiluminescence/laser induced fluorescence detection of electronic and vibrationally excited reaction products, and Auger detection of surface adsorbed reaction products, a fundamental study of the gas surface chemistry underlying the glow process is proposed.

Free Energy Perturbation Calculations of the Thermodynamics of Protein Side-Chain Mutations.

PubMed

Steinbrecher, Thomas; Abel, Robert; Clark, Anthony; Friesner, Richard

2017-04-07

Protein side-chain mutation is fundamental both to natural evolutionary processes and to the engineering of protein therapeutics, which constitute an increasing fraction of important medications. Molecular simulation enables the prediction of the effects of mutation on properties such as binding affinity, secondary and tertiary structure, conformational dynamics, and thermal stability. A number of widely differing approaches have been applied to these predictions, including sequence-based algorithms, knowledge-based potential functions, and all-atom molecular mechanics calculations. Free energy perturbation theory, employing all-atom and explicit-solvent molecular dynamics simulations, is a rigorous physics-based approach for calculating thermodynamic effects of, for example, protein side-chain mutations. Over the past several years, we have initiated an investigation of the ability of our most recent free energy perturbation methodology to model the thermodynamics of protein mutation for two specific problems: protein-protein binding affinities and protein thermal stability. We highlight recent advances in the field and outline current and future challenges. Copyright © 2017 Elsevier Ltd. All rights reserved.

Rayleigh scattering in an emitter-nanofiber-coupling system

NASA Astrophysics Data System (ADS)

Tang, Shui-Jing; Gao, Fei; Xu, Da; Li, Yan; Gong, Qihuang; Xiao, Yun-Feng

2017-04-01

Scattering is a general process in both fundamental and applied physics. In this paper, we investigate Rayleigh scattering of a solid-state-emitter coupled to a nanofiber, by S -matrix-like theory in k -space description. Under this model, both Rayleigh scattering and dipole interaction are studied between a two-level artificial atom embedded in a nanocrystal and fiber modes (guided and radiation modes). It is found that Rayleigh scattering plays a critical role in the transport properties and quantum statistics of photons. On the one hand, Rayleigh scattering produces the transparency in the optical transmitted field of the nanofiber, accompanied by the change of atomic phase, population, and frequency shift. On the other hand, the interference between two kinds of scattering fields by Rayleigh scattering and dipole transition modifies the photon statistics (second-order autocorrelation function) of output fields, showing a strong wavelength dependence. This study provides guidance for the solid-state emitter acting as a single-photon source and can be extended to explore the scattering effect in many-body physics.

Using the Tools and Resources of the RCSB Protein Data Bank.

PubMed

Costanzo, Luigi Di; Ghosh, Sutapa; Zardecki, Christine; Burley, Stephen K

2016-09-07

The Protein Data Bank (PDB) archive is the worldwide repository of experimentally determined three-dimensional structures of large biological molecules found in all three kingdoms of life. Atomic-level structures of these proteins, nucleic acids, and complex assemblies thereof are central to research and education in molecular, cellular, and organismal biology, biochemistry, biophysics, materials science, bioengineering, ecology, and medicine. Several types of information are associated with each PDB archival entry, including atomic coordinates, primary experimental data, polymer sequence(s), and summary metadata. The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) serves as the U.S. data center for the PDB, distributing archival data and supporting both simple and complex queries that return results. These data can be freely downloaded, analyzed, and visualized using RCSB PDB tools and resources to gain a deeper understanding of fundamental biological processes, molecular evolution, human health and disease, and drug discovery. © 2016 by John Wiley & Sons, Inc. Copyright © 2016 John Wiley & Sons, Inc.

Molecular dynamics of single-particle impacts predicts phase diagrams for large scale pattern formation.

PubMed

Norris, Scott A; Samela, Juha; Bukonte, Laura; Backman, Marie; Djurabekova, Flyura; Nordlund, Kai; Madi, Charbel S; Brenner, Michael P; Aziz, Michael J

2011-01-01

Energetic particle irradiation can cause surface ultra-smoothening, self-organized nanoscale pattern formation or degradation of the structural integrity of nuclear reactor components. A fundamental understanding of the mechanisms governing the selection among these outcomes has been elusive. Here we predict the mechanism governing the transition from pattern formation to flatness using only parameter-free molecular dynamics simulations of single-ion impacts as input into a multiscale analysis, obtaining good agreement with experiment. Our results overturn the paradigm attributing these phenomena to the removal of target atoms via sputter erosion: the mechanism dominating both stability and instability is the impact-induced redistribution of target atoms that are not sputtered away, with erosive effects being essentially irrelevant. We discuss the potential implications for the formation of a mysterious nanoscale topography, leading to surface degradation, of tungsten plasma-facing fusion reactor walls. Consideration of impact-induced redistribution processes may lead to a new design criterion for stability under irradiation.

Electron collisions—experiment, theory, and applications

NASA Astrophysics Data System (ADS)

Bartschat, Klaus

2018-07-01

Electron collisions with atoms, ions, and molecules have represented an important area of ‘applied quantum mechanics’ for more than a century. This Topical Review is the write-up of the Allis Prize Lecture given by the author at the 2016 meeting of the Division of Atomic, Molecular, and Optical Physics of the American Physical Society and the 2017 Gaseous Electronics Conference. In light of the enormous size of the field, the examples presented were selected in order to tell the story of how experimental and theoretical/numerical methods have developed over time, how fruitful collaborations between data producers (experimentalists and theorists) and data users have led to significant progress, and how the results of these studies, which were often designed for fundamental research in order to push both experiment and theory to new frontiers, continue to be highly sought after for modeling applications in a variety of fields. The impact of electron collision studies on other fields, such as photoinduced processes and quantum information, is also discussed.

The GSAM software: A global search algorithm of minima exploration for the investigation of low lying isomers of clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marchal, Rémi; Carbonnière, Philippe; Pouchan, Claude

2015-01-22

The study of atomic clusters has become an increasingly active area of research in the recent years because of the fundamental interest in studying a completely new area that can bridge the gap between atomic and solid state physics. Due to their specific properties, such compounds are of great interest in the field of nanotechnology [1,2]. Here, we would present our GSAM algorithm based on a DFT exploration of the PES to find the low lying isomers of such compounds. This algorithm includes the generation of an intial set of structure from which the most relevant are selected. Moreover, anmore » optimization process, called raking optimization, able to discard step by step all the non physically reasonnable configurations have been implemented to reduce the computational cost of this algorithm. Structural properties of Ga{sub n}Asm clusters will be presented as an illustration of the method.« less

Fundamental studies of desulfurization processes: reaction of methanethiol on ZnO and Cs/ZnO

NASA Astrophysics Data System (ADS)

Dvorak, Joseph; Jirsak, Tomas; Rodriguez, José A.

2001-05-01

The reaction of methanethiol on ZnO and Cs promoted ZnO surfaces has been studied with synchrotron based photoemission and thermal desorption spectroscopy. On ZnO, methanethiol undergoes selective reaction to produce carbon monoxide (37-58%), methane (23-38%), formaldehyde (12-15%), ethane (1-11%), and a mixture of ethylene and acetylene (3-13%). At low temperatures (<100 K), methanethiol reacts to yield thiolate intermediate bound to Zn 2+ cations. The thiolate is stable to 500 K. Above this temperature, C-S bond cleavage occurs to yield methyl intermediate and atomic S. Carbon is removed from the surface as gaseous products above 500 K, and atomic sulfur remains bound to the zinc sites of the surface. Submonolayer amounts of cesium do not have a significant promotional effect on C-S bond cleavage, whereas Cs multilayers are found to significantly lower the activation barrier for C-S bond cleavage. This study illustrates the chemistry associated with the desulfurization of thiols on a catalytically relevant oxide surface.

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

DOE PAGES

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

2015-08-04

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

DNA-mediated nanoparticle crystallization into Wulff polyhedra

NASA Astrophysics Data System (ADS)

Auyeung, Evelyn; Li, Ting I. N. G.; Senesi, Andrew J.; Schmucker, Abrin L.; Pals, Bridget C.; de La Cruz, Monica Olvera; Mirkin, Chad A.

2014-01-01

Crystallization is a fundamental and ubiquitous process much studied over the centuries. But although the crystallization of atoms is fairly well understood, it remains challenging to predict reliably the outcome of molecular crystallization processes that are complicated by various molecular interactions and solvent involvement. This difficulty also applies to nanoparticles: high-quality three-dimensional crystals are mostly produced using drying and sedimentation techniques that are often impossible to rationalize and control to give a desired crystal symmetry, lattice spacing and habit (crystal shape). In principle, DNA-mediated assembly of nanoparticles offers an ideal opportunity for studying nanoparticle crystallization: a well-defined set of rules have been developed to target desired lattice symmetries and lattice constants, and the occurrence of features such as grain boundaries and twinning in DNA superlattices and traditional crystals comprised of molecular or atomic building blocks suggests that similar principles govern their crystallization. But the presence of charged biomolecules, interparticle spacings of tens of nanometres, and the realization so far of only polycrystalline DNA-interconnected nanoparticle superlattices, all suggest that DNA-guided crystallization may differ from traditional crystal growth. Here we show that very slow cooling, over several days, of solutions of complementary-DNA-modified nanoparticles through the melting temperature of the system gives the thermodynamic product with a specific and uniform crystal habit. We find that our nanoparticle assemblies have the Wulff equilibrium crystal structure that is predicted from theoretical considerations and molecular dynamics simulations, thus establishing that DNA hybridization can direct nanoparticle assembly along a pathway that mimics atomic crystallization.

Atom guidance in the TE01 donut mode of a large-core hollow fiber

NASA Astrophysics Data System (ADS)

Pechkis, J. A.; Fatemi, F. K.

2011-05-01

We report on our progress towards low-light-level nonlinear optics experiments by optically guiding atoms in the TE01 donut mode of a hollow fiber. Atoms are transported over 12 cm from a ``source'' magneto-optical trap (MOT) through a 100- μm-diameter hollow fiber and are recaptured by a ``collection'' MOT situated directly below the fiber. For red-detuned guiding, we compare the guiding efficiency between the fundamental (Gaussian-like) mode and this donut mode, which has a larger guiding area but lower peak intensity. We also discuss our progress in transporting atoms in the dark core of this mode using blue-detuned light, which has more stringent constraints to atom guidance compared to red-detuned light. This work is supported by ONR.

Fundamentals of Gas Turbine combustion

NASA Technical Reports Server (NTRS)

Gerstein, M.

1979-01-01

Combustion problems and research recommendations are discussed in the areas of atomization and vaporization, combustion chemistry, combustion dynamics, and combustion modelling. The recommendations considered of highest priority in these areas are presented.

ZAPP shot summary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loisel, Guillaume Pascal

This was the second Z Astrophysical Plasma Properties (ZAPP) fundamental science shot series of 2015. ZAPP experiments measure fundamental properties of atoms in plasmas to solve the following important astrophysical puzzles: Why can’t we accurately model the opacity of Fe at the convection zone boundary in the Sun? How accurate are the photoionization models used to interpret data from xray satellite observations? and Why doesn’t spectral fitting provide the correct properties for White Dwarfs?

Higher order microfibre modes for dielectric particle trapping and propulsion

PubMed Central

Maimaiti, Aili; Truong, Viet Giang; Sergides, Marios; Gusachenko, Ivan; Nic Chormaic, Síle

2015-01-01

Optical manipulation in the vicinity of optical micro- and nanofibres has shown potential across several fields in recent years, including microparticle control, and cold atom probing and trapping. To date, most work has focussed on the propagation of the fundamental mode through the fibre. However, along the maximum mode intensity axis, higher order modes have a longer evanescent field extension and larger field amplitude at the fibre waist compared to the fundamental mode, opening up new possibilities for optical manipulation and particle trapping. We demonstrate a microfibre/optical tweezers compact system for trapping and propelling dielectric particles based on the excitation of the first group of higher order modes at the fibre waist. Speed enhancement of polystyrene particle propulsion was observed for the higher order modes compared to the fundamental mode for particles ranging from 1 μm to 5 μm in diameter. The optical propelling velocity of a single, 3 μm polystyrene particle was found to be 8 times faster under the higher order mode than the fundamental mode field for a waist power of 25 mW. Experimental data are supported by theoretical calculations. This work can be extended to trapping and manipulation of laser-cooled atoms with potential for quantum networks. PMID:25766925

Fundamental Physics with Antihydrogen

NASA Astrophysics Data System (ADS)

Hangst, J. S.

Antihydrogen—the antimatter equivalent of the hydrogen atom—is of fundamental interest as a test bed for universal symmetries—such as CPT and the Weak Equivalence Principle for gravitation. Invariance under CPT requires that hydrogen and antihydrogen have the same spectrum. Antimatter is of course intriguing because of the observed baryon asymmetry in the universe—currently unexplained by the Standard Model. At the CERN Antiproton Decelerator (AD) [1], several groups have been working diligently since 1999 to produce, trap, and study the structure and behaviour of the antihydrogen atom. One of the main thrusts of the AD experimental program is to apply precision techniques from atomic physics to the study of antimatter. Such experiments complement the high-energy searches for physics beyond the Standard Model. Antihydrogen is the only atom of antimatter to be produced in the laboratory. This is not so unfortunate, as its matter equivalent, hydrogen, is one of the most well-understood and accurately measured systems in all of physics. It is thus very compelling to undertake experimental examinations of the structure of antihydrogen. As experimental spectroscopy of antihydrogen has yet to begin in earnest, I will give here a brief introduction to some of the ion and atom trap developments necessary for synthesizing and trapping antihydrogen, so that it can be studied.

Photonic quantum state transfer between a cold atomic gas and a crystal.

PubMed

Maring, Nicolas; Farrera, Pau; Kutluer, Kutlu; Mazzera, Margherita; Heinze, Georg; de Riedmatten, Hugues

2017-11-22

Interfacing fundamentally different quantum systems is key to building future hybrid quantum networks. Such heterogeneous networks offer capabilities superior to those of their homogeneous counterparts, as they merge the individual advantages of disparate quantum nodes in a single network architecture. However, few investigations of optical hybrid interconnections have been carried out, owing to fundamental and technological challenges such as wavelength and bandwidth matching of the interfacing photons. Here we report optical quantum interconnection of two disparate matter quantum systems with photon storage capabilities. We show that a quantum state can be transferred faithfully between a cold atomic ensemble and a rare-earth-doped crystal by means of a single photon at 1,552  nanometre telecommunication wavelength, using cascaded quantum frequency conversion. We demonstrate that quantum correlations between a photon and a single collective spin excitation in the cold atomic ensemble can be transferred to the solid-state system. We also show that single-photon time-bin qubits generated in the cold atomic ensemble can be converted, stored and retrieved from the crystal with a conditional qubit fidelity of more than 85 per cent. Our results open up the prospect of optically connecting quantum nodes with different capabilities and represent an important step towards the realization of large-scale hybrid quantum networks.

A two-in-one process for reliable graphene transistors processed with photo-lithography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahlberg, P.; Hinnemo, M.; Song, M.

2015-11-16

Research on graphene field-effect transistors (GFETs) has mainly relied on devices fabricated using electron-beam lithography for pattern generation, a method that has known problems with polymer contaminants. GFETs fabricated via photo-lithography suffer even worse from other chemical contaminations, which may lead to strong unintentional doping of the graphene. In this letter, we report on a scalable fabrication process for reliable GFETs based on ordinary photo-lithography by eliminating the aforementioned issues. The key to making this GFET processing compatible with silicon technology lies in a two-in-one process where a gate dielectric is deposited by means of atomic layer deposition. During thismore » deposition step, contaminants, likely unintentionally introduced during the graphene transfer and patterning, are effectively removed. The resulting GFETs exhibit current-voltage characteristics representative to that of intrinsic non-doped graphene. Fundamental aspects pertaining to the surface engineering employed in this work are investigated in the light of chemical analysis in combination with electrical characterization.« less

Joining engineering ceramics

NASA Astrophysics Data System (ADS)

Loehman, Ronald E.

Methods for joining ceramics are outlined with attention given to their fundamental properties, and some examples of ceramic bonding in engineering ceramic systems are presented. Ceramic-ceramic bonds using no filler material include diffusion and electric-field bonding and ceramic welding, and bonds with filler materials can be provided by Mo-Mn brazing, microwave joining, and reactive nonmetallic liquid bonding. Ceramic-metal joints can be effected with filler material by means of the same ceramic-ceramic processes and without filler material by means of use of molten glass or diffusion bonding. Key properties of the bonding processes include: bonds with discontinuous material properties, energies that are positive relative to the bulk material, and unique chemical and mechanical properties. The processes and properties are outlined for ceramic-metal joints and for joining silicon nitride, and the factors that control wetting, adhesion, and reaction on the atomic scale are critical for establishing successful joints.

Proton-Coupled Electron Transfer in Organic Synthesis: Fundamentals, Applications, and Opportunities

PubMed Central

Miller, David C.; Tarantino, Kyle T.; Knowles, Robert R.

2016-01-01

Proton-coupled electron transfers (PCETs) are unconventional redox processes in which both protons and electrons are exchanged, often in a concerted elementary step. While PCET is now recognized to play a central a role in biological redox catalysis and inorganic energy conversion technologies, its applications in organic synthesis are only beginning to be explored. In this chapter we aim to highlight the origins, development and evolution of PCET processes most relevant to applications in organic synthesis. Particular emphasis is given to the ability of PCET to serve as a non-classical mechanism for homolytic bond activation that is complimentary to more traditional hydrogen atom transfer processes, enabling the direct generation of valuable organic radical intermediates directly from their native functional group precursors under comparatively mild catalytic conditions. The synthetically advantageous features of PCET reactivity are described in detail, along with examples from the literature describing the PCET activation of common organic functional groups. PMID:27573270

Noncontact Atomic Force Microscopy: An Emerging Tool for Fundamental Catalysis Research.

PubMed

Altman, Eric I; Baykara, Mehmet Z; Schwarz, Udo D

2015-09-15

Although atomic force microscopy (AFM) was rapidly adopted as a routine surface imaging apparatus after its introduction in 1986, it has not been widely used in catalysis research. The reason is that common AFM operating modes do not provide the atomic resolution required to follow catalytic processes; rather the more complex noncontact (NC) mode is needed. Thus, scanning tunneling microscopy has been the principal tool for atomic scale catalysis research. In this Account, recent developments in NC-AFM will be presented that offer significant advantages for gaining a complete atomic level view of catalysis. The main advantage of NC-AFM is that the image contrast is due to the very short-range chemical forces that are of interest in catalysis. This motivated our development of 3D-AFM, a method that yields quantitative atomic resolution images of the potential energy surfaces that govern how molecules approach, stick, diffuse, and rebound from surfaces. A variation of 3D-AFM allows the determination of forces required to push atoms and molecules on surfaces, from which diffusion barriers and variations in adsorption strength may be obtained. Pushing molecules towards each other provides access to intermolecular interaction between reaction partners. Following reaction, NC-AFM with CO-terminated tips yields textbook images of intramolecular structure that can be used to identify reaction intermediates and products. Because NC-AFM and STM contrast mechanisms are distinct, combining the two methods can produce unique insight. It is demonstrated for surface-oxidized Cu(100) that simultaneous 3D-AFM/STM yields resolution of both the Cu and O atoms. Moreover, atomic defects in the Cu sublattice lead to variations in the reactivity of the neighboring O atoms. It is shown that NC-AFM also allows a straightforward imaging of work function variations which has been used to identify defect charge states on catalytic surfaces and to map charge transfer within an individual molecule. These advances highlight the potential for NC-AFM-based methods to become the cornerstone upon which a quantitative atomic scale view of each step of a catalytic process may be gained. Realizing this potential will rely on two breakthroughs: (1) development of robust methods for tip functionalization and (2) simplification of NC-AFM instrumentation and control schemes. Quartz force sensors may offer paths forward in both cases. They allow any material with an atomic asperity to be used as a tip, opening the door to a wide range of surface functionalization chemistry. In addition, they do not suffer from the instabilities that motivated the initial adoption of complex control strategies that are still used today.

First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

NASA Astrophysics Data System (ADS)

Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing

2017-05-01

In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008

Improved momentum-transfer theory for ion mobility. 1. Derivation of the fundamental equation.

PubMed

Siems, William F; Viehland, Larry A; Hill, Herbert H

2012-11-20

For the first time the fundamental ion mobility equation is derived by a bottom-up procedure, with N real atomic ion-atomic neutral collisions replaced by N repetitions of an average collision. Ion drift velocity is identified as the average of all pre- and postcollision velocities in the field direction. To facilitate velocity averaging, collisions are sorted into classes that "cool" and "heat" the ion. Averaging over scattering angles establishes mass-dependent relationships between pre- and postcollision velocities for the cooling and heating classes, and a combined expression for drift velocity is obtained by weighted addition according to relative frequencies of the cooling and heating encounters. At zero field this expression becomes identical to the fundamental low-field ion mobility equation. The bottom-up derivation identifies the low-field drift velocity as 3/4 of the average precollision ion velocity in the field direction and associates the passage from low-field to high-field conditions with the increasing dominance of "cooling" collisions over "heating" collisions. Most significantly, the analysis provides a direct path for generalization to fields of arbitrary strength.

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain.

PubMed

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; Li, Leigang; Zhu, Yuanyuan; Xia, Zhenhai; Lu, Ping; Boullay, Philippe; Wu, Lijun; Zhu, Yimei; MacManus-Driscoll, Judith L; Jia, Quanxi; Zhou, Honghui; Narayan, Jagdish; Zhang, Xinghang; Wang, Haiyan

2016-07-06

Study of layered complex oxides emerge as one of leading topics in fundamental materials science because of the strong interplay among intrinsic charge, spin, orbital, and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials that exhibit new phenomena beyond their conventional forms. Here, we report a strain-driven self-assembly of bismuth-based supercell (SC) with a two-dimensional (2D) layered structure. With combined experimental analysis and first-principles calculations, we investigated the full SC structure and elucidated the fundamental growth mechanism achieved by the strain-enabled self-assembled atomic layer stacking. The unique SC structure exhibits room-temperature ferroelectricity, enhanced magnetic responses, and a distinct optical bandgap from the conventional double perovskite structure. This study reveals the important role of interfacial strain modulation and atomic rearrangement in self-assembling a layered singe-phase multiferroic thin film, which opens up a promising avenue in the search for and design of novel 2D layered complex oxides with enormous promise.

Structural building principles of complex face-centered cubic intermetallics.

PubMed

Dshemuchadse, Julia; Jung, Daniel Y; Steurer, Walter

2011-08-01

Fundamental structural building principles are discussed for all 56 known intermetallic phases with approximately 400 or more atoms per unit cell and space-group symmetry F43m, Fd3m, Fd3, Fm3m or Fm3c. Despite fundamental differences in chemical composition, bonding and electronic band structure, their complex crystal structures show striking similarities indicating common building principles. We demonstrate that the structure-determining elements are flat and puckered atomic {110} layers stacked with periodicities 2p. The atoms on this set of layers, which intersect each other, form pentagon face-sharing endohedral fullerene-like clusters arranged in a face-centered cubic packing (f.c.c.). Due to their topological layer structure, all these crystal structures can be described as (p × p × p) = p(3)-fold superstructures of a common basic structure of the double-diamond type. The parameter p, with p = 3, 4, 7 or 11, is determined by the number of layers per repeat unit and the type of cluster packing, which in turn are controlled by chemical composition.

Manifestations of Dark matter and variation of the fundamental constants in atomic and astrophysical phenomena

NASA Astrophysics Data System (ADS)

Flambaum, Victor

2016-05-01

Low-mass boson dark matter particles produced after Big Bang form classical field and/or topological defects. In contrast to traditional dark matter searches, effects produced by interaction of an ordinary matter with this field and defects may be first power in the underlying interaction strength rather than the second or fourth power (which appears in a traditional search for the dark matter). This may give a huge advantage since the dark matter interaction constant is extremely small. Interaction between the density of the dark matter particles and ordinary matter produces both `slow' cosmological evolution and oscillating variations of the fundamental constants including the fine structure constant alpha and particle masses. Recent atomic dysprosium spectroscopy measurements and the primordial helium abundance data allowed us to improve on existing constraints on the quadratic interactions of the scalar dark matter with the photon, electron and light quarks by up to 15 orders of magnitude. Limits on the linear and quadratic interactions of the dark matter with W and Z bosons have been obtained for the first time. In addition to traditional methods to search for the variation of the fundamental constants (atomic clocks, quasar spectra, Big Bang Nucleosynthesis, etc) we discuss variations in phase shifts produced in laser/maser interferometers (such as giant LIGO, Virgo, GEO600 and TAMA300, and the table-top silicon cavity and sapphire interferometers), changes in pulsar rotational frequencies (which may have been observed already in pulsar glitches), non-gravitational lensing of cosmic radiation and the time-delay of pulsar signals. Other effects of dark matter and dark energy include apparent violation of the fundamental symmetries: oscillating or transient atomic electric dipole moments, precession of electron and nuclear spins about the direction of Earth's motion through an axion condensate, and axion-mediated spin-gravity couplings, violation of Lorentz symmetry and Einstein equivalence principle. Finally, we explore a possibility to explain the DAMA collaboration claim of dark matter detection by the dark matter scattering on electrons. We have shown that the electron relativistic effects increase the ionization differential cross section up to 3 orders of magnitude [9].

Optical angular momentum and atoms

PubMed Central

2017-01-01

Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom’s angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light’s OAM, aiding our fundamental understanding of light–matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors. This article is part of the themed issue ‘Optical orbital angular momentum’. PMID:28069766

Atomic spectroscopy with twisted photons: Separation of M 1 -E 2 mixed multipoles

NASA Astrophysics Data System (ADS)

Afanasev, Andrei; Carlson, Carl E.; Solyanik, Maria

2018-02-01

We analyze atomic photoexcitation into the discrete states by twisted photons, or photons carrying extra orbital angular momentum along their direction of propagation. From the angular momentum and parity considerations, we are able to relate twisted-photon photoexcitation amplitudes to their plane-wave analogs, independently of the details of the atomic wave functions. We analyze the photoabsorption cross sections of mixed-multipolarity E 2 -M 1 transitions in ionized atoms and found fundamental differences coming from the photon topology. Our theoretical analysis demonstrates that it is possible to extract the relative transition rates of different multipolar contributions by measuring the photoexcitation rate as a function of the atom's position (or impact parameter) with respect to the optical vortex center. The proposed technique for separation of multipoles can be implemented if the target's atom position is resolved with subwavelength accuracy; for example, with Paul traps. Numerical examples are presented for Boron-like highly charged ions.

Atomic electron tomography: 3D structures without crystals

DOE PAGES

Miao, Jianwei; Ercius, Peter; Billinge, S. J. L.

2016-09-23

Crystallography has been fundamental to the development of many fields of science over the last century. However, much of our modern science and technology relies on materials with defects and disorders, and their three-dimensional (3D) atomic structures are not accessible to crystallography. One method capable of addressing this major challenge is atomic electron tomography. By combining advanced electron microscopes and detectors with powerful data analysis and tomographic reconstruction algorithms, it is now possible to determine the 3D atomic structure of crystal defects such as grain boundaries, stacking faults, dislocations, and point defects, as well as to precisely localize the 3Dmore » coordinates of individual atoms in materials without assuming crystallinity. In this work, we review the recent advances and the interdisciplinary science enabled by this methodology. We also outline further research needed for atomic electron tomography to address long-standing unresolved problems in the physical sciences.« less

Controllable vacuum-induced diffraction of matter-wave superradiance using an all-optical dispersive cavity

NASA Astrophysics Data System (ADS)

Su, Shih-Wei; Lu, Zhen-Kai; Gou, Shih-Chuan; Liao, Wen-Te

2016-10-01

Cavity quantum electrodynamics (CQED) has played a central role in demonstrating the fundamental principles of the quantum world, and in particular those of atom-light interactions. Developing fast, dynamical and non-mechanical control over a CQED system is particularly desirable for controlling atomic dynamics and building future quantum networks at high speed. However conventional mirrors do not allow for such flexible and fast controls over their coupling to intracavity atoms mediated by photons. Here we theoretically investigate a novel all-optical CQED system composed of a binary Bose-Einstein condensate (BEC) sandwiched by two atomic ensembles. The highly tunable atomic dispersion of the CQED system enables the medium to act as a versatile, all-optically controlled atomic mirror that can be employed to manipulate the vacuum-induced diffraction of matter-wave superradiance. Our study illustrates a innovative all-optical element of atomtroics and sheds new light on controlling light-matter interactions.

Mapping atomic motions with ultrabright electrons: towards fundamental limits in space-time resolution.

PubMed

Manz, Stephanie; Casandruc, Albert; Zhang, Dongfang; Zhong, Yinpeng; Loch, Rolf A; Marx, Alexander; Hasegawa, Taisuke; Liu, Lai Chung; Bayesteh, Shima; Delsim-Hashemi, Hossein; Hoffmann, Matthias; Felber, Matthias; Hachmann, Max; Mayet, Frank; Hirscht, Julian; Keskin, Sercan; Hada, Masaki; Epp, Sascha W; Flöttmann, Klaus; Miller, R J Dwayne

2015-01-01

The long held objective of directly observing atomic motions during the defining moments of chemistry has been achieved based on ultrabright electron sources that have given rise to a new field of atomically resolved structural dynamics. This class of experiments requires not only simultaneous sub-atomic spatial resolution with temporal resolution on the 100 femtosecond time scale but also has brightness requirements approaching single shot atomic resolution conditions. The brightness condition is in recognition that chemistry leads generally to irreversible changes in structure during the experimental conditions and that the nanoscale thin samples needed for electron structural probes pose upper limits to the available sample or "film" for atomic movies. Even in the case of reversible systems, the degree of excitation and thermal effects require the brightest sources possible for a given space-time resolution to observe the structural changes above background. Further progress in the field, particularly to the study of biological systems and solution reaction chemistry, requires increased brightness and spatial coherence, as well as an ability to tune the electron scattering cross-section to meet sample constraints. The electron bunch density or intensity depends directly on the magnitude of the extraction field for photoemitted electron sources and electron energy distribution in the transverse and longitudinal planes of electron propagation. This work examines the fundamental limits to optimizing these parameters based on relativistic electron sources using re-bunching cavity concepts that are now capable of achieving 10 femtosecond time scale resolution to capture the fastest nuclear motions. This analysis is given for both diffraction and real space imaging of structural dynamics in which there are several orders of magnitude higher space-time resolution with diffraction methods. The first experimental results from the Relativistic Electron Gun for Atomic Exploration (REGAE) are given that show the significantly reduced multiple electron scattering problem in this regime, which opens up micron scale systems, notably solution phase chemistry, to atomically resolved structural dynamics.

Atomization off thin water films generated by high-frequency substrate wave vibrations.

PubMed

Collins, David J; Manor, Ofer; Winkler, Andreas; Schmidt, Hagen; Friend, James R; Yeo, Leslie Y

2012-11-01

Generating aerosol droplets via the atomization of thin aqueous films with high frequency surface acoustic waves (SAWs) offers several advantages over existing nebulization methods, particularly for pulmonary drug delivery, offering droplet sizes in the 1-5-μm range ideal for effective pulmonary therapy. Nevertheless, the physics underlying SAW atomization is not well understood, especially in the context of thin liquid film formation and spreading and how this affects the aerosol production. Here, we demonstrate that the film geometry, governed primarily by the applied power and frequency of the SAW, indeed plays a crucial role in the atomization process and, in particular, the size of the atomized droplets. In contrast to the continuous spreading of low surface energy liquids atop similar platforms, high surface energy liquids such as water, in the present case, are found to undergo transient spreading due to the SAW to form a quasisteady film whose height is determined by self-selection of the energy minimum state associated with the acoustic resonance in the film and whose length arises from a competition between acoustic streaming and capillary effects. This is elucidated from a fundamental model for the thin film spreading behavior under SAW excitation, from which we show good agreement between the experimentally measured and theoretically predicted droplet dimension, both of which consistently indicate a linear relationship between the droplet diameter and the mechanical power coupled into the liquid by the SAW (the latter captured by an acoustic Weber number to the two thirds power, and the reciprocal of the SAW frequency).

Ion-enhanced oxidation of aluminum as a fundamental surface process during target poisoning in reactive magnetron sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuschel, Thomas; Keudell, Achim von

2010-05-15

Plasma deposition of aluminum oxide by reactive magnetron sputtering (RMS) using an aluminum target and argon and oxygen as working gases is an important technological process. The undesired oxidation of the target itself, however, causes the so-called target poisoning, which leads to strong hysteresis effects during RMS operation. The oxidation occurs by chemisorption of oxygen atoms and molecules with a simultaneous ion bombardment being present. This heterogenous surface reaction is studied in a quantified particle beam experiment employing beams of oxygen molecules and argon ions impinging onto an aluminum-coated quartz microbalance. The oxidation and/or sputtering rates are measured with thismore » microbalance and the resulting oxide layers are analyzed by x-ray photoelectron spectroscopy. The sticking coefficient of oxygen molecules is determined to 0.015 in the zero coverage limit. The sputtering yields of pure aluminum by argon ions are determined to 0.4, 0.62, and 0.8 at 200, 300, and 400 eV. The variation in the effective sticking coefficient and sputtering yield during the combined impact of argon ions and oxygen molecules is modeled with a set of rate equations. A good agreement is achieved if one postulates an ion-induced surface activation process, which facilitates oxygen chemisorption. This process may be identified with knock-on implantation of surface-bonded oxygen, with an electric-field-driven in-diffusion of oxygen or with an ion-enhanced surface activation process. Based on these fundamental processes, a robust set of balance equations is proposed to describe target poisoning effects in RMS.« less

78 FR 7399 - Application(s) for Duty-Free Entry of Scientific Instruments

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-01

... superconductors in two dimensions, to program fundamental couplings at near-atomic scales and quantum simulation... mechanisms, by using predicted topological properties of superconductors in two dimensions, to program...

Particles, Quarks, Leptons and Coloured Glue.

ERIC Educational Resources Information Center

Ryder, Lewis

1980-01-01

Explains the current situation in particle physics by reviewing the three major periods in the development of atomic theory. Outlines the current picture of fundamental particles and identifies five major problems with this model. (GS)

Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems.

PubMed

Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin; Kestell, John D; Boscoboinik, Alejandro M; Kim, Taejin; Stacchiola, Dario J; Lu, Deyu; Boscoboinik, J Anibal

2017-07-17

The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. In this work, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, the permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. These findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.

Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems

DOE PAGES

Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin; ...

2017-07-17

The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. Here, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, themore » permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. Our findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.« less

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Rui; Chen, Chien-Chun; Wu, Li

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE PAGES

Xu, Rui; Chen, Chien-Chun; Wu, Li; ...

2015-09-21

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin

The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. Here, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, themore » permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. Our findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.« less

Fundamental transport mechanisms, fabrication and potential applications of nanoporous atomically thin membranes.

PubMed

Wang, Luda; Boutilier, Michael S H; Kidambi, Piran R; Jang, Doojoon; Hadjiconstantinou, Nicolas G; Karnik, Rohit

2017-06-06

Graphene and other two-dimensional materials offer a new approach to controlling mass transport at the nanoscale. These materials can sustain nanoscale pores in their rigid lattices and due to their minimum possible material thickness, high mechanical strength and chemical robustness, they could be used to address persistent challenges in membrane separations. Here we discuss theoretical and experimental developments in the emerging field of nanoporous atomically thin membranes, focusing on the fundamental mechanisms of gas- and liquid-phase transport, membrane fabrication techniques and advances towards practical application. We highlight potential functional characteristics of the membranes and discuss applications where they are expected to offer advantages. Finally, we outline the major scientific questions and technological challenges that need to be addressed to bridge the gap from theoretical simulations and proof-of-concept experiments to real-world applications.

Long-range interactions between metastable rare gases atoms

NASA Astrophysics Data System (ADS)

Vrinceanu, D.; Marinescu, M.; Flannery, M. R.

1998-10-01

Knowledge of the long-range interaction between atoms and molecules is of fundamental importance for low-energy and low-temperature collisions. The electronic interaction between the charge distributions of two metastable rare gases atoms can be expanded in inverse powers of R, the internuclear distance. The coefficients C_6, C_8, and C_10 of, respectively, the R-6, R-8, and R-10 terms are calculated by integrating the products of the dynamic electric polarizabilities of the individual atoms at imaginary frequencies, which are in turn obtained by solving a system of coupled inhomogeneous differential equations. The triplet state spectrum of the rare gases atoms is described by precise l-dependent one-electron model potentials. Numerical results for the C_6, C_8, and C_10 dispersion coefficients for homonuclear and heteronuclear metastable rare gases diatoms are presented.

Long-range interactions between metastable rare gases atoms

NASA Astrophysics Data System (ADS)

Vrinceanu, D.; Marinescu, M.; Flannery, M. R.

1998-05-01

Knowledge of the long-range interaction between atoms and molecules is of fundamental importance for low-energy and low-temperature collisions. The electronic interaction between the charge distributions of two metastable rare gases atoms can be expanded in inverse powers of R, the internuclear distance. The coefficients C_6, C_8, and C_10 of, respectively, the R-6, R-8, and R-10 terms are calculated by integrating the products of the dynamic electric polarizabilities of the individual atoms at imaginary frequencies, which are in turn obtained by solving a system of coupled inhomogeneous differential equations. The triplet state spectrum of the rare gases atoms is described by precise l-dependent one-electron model potentials. Numerical results for the C_6, C_8, and C_10 dispersion coefficients for homonuclear and heteronuclear metastable rare gases diatoms are presented.

Adiabatic Quantum Computing via the Rydberg Blockade

NASA Astrophysics Data System (ADS)

Keating, Tyler; Goyal, Krittika; Deutsch, Ivan

2012-06-01

We study an architecture for implementing adiabatic quantum computation with trapped neutral atoms. Ground state atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study the performance of a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. We model a realistic architecture, including the effects of magnetic level structure, with qubits encoded into the clock states of ^133Cs, effective B-fields implemented through microwaves and light shifts, and atom-atom coupling achieved by excitation to a high-lying Rydberg level. Including the fundamental effects of photon scattering we find a high fidelity for the two-qubit implementation.

Self-Stabilizing Measurement of Phase

NASA Astrophysics Data System (ADS)

Vinjanampathy, Sai

2014-05-01

Measuring phase accurately constitutes one of the most important task in precision measurement science. Such measurements can be deployed to measure everything from fundamental constants to measuring detuning and tunneling rates of atoms more precisely. Quantum mechanics enhances the ultimate bounds on the precision of such measurements possible, and exploit coherence and entanglement to reduce the phase uncertainty. In this work, we will describe a method to stabilize a decohering two-level atom and use the stabilizing measurements to learn the unknown phase acquired by the atom. Such measurements will employ a Bayesian learner to do active feedback control on the atom. We will discuss some ultimate bounds employed in precision metrology and an experimental proposal for the implementation of this scheme. Financial support from Ministry of Education, Singapore.

Energy level diagrams for black hole orbits

NASA Astrophysics Data System (ADS)

Levin, Janna

2009-12-01

A spinning black hole with a much smaller black hole companion forms a fundamental gravitational system, like a colossal classical analog to an atom. In an appealing if imperfect analogy with atomic physics, this gravitational atom can be understood through a discrete spectrum of periodic orbits. Exploiting a correspondence between the set of periodic orbits and the set of rational numbers, we are able to construct periodic tables of orbits and energy level diagrams of the accessible states around black holes. We also present a closed-form expression for the rational q, thereby quantifying zoom-whirl behavior in terms of spin, energy and angular momentum. The black hole atom is not just a theoretical construct, but corresponds to extant astrophysical systems detectable by future gravitational wave observatories.

Coherence properties of nanofiber-trapped cesium atoms.

PubMed

Reitz, D; Sayrin, C; Mitsch, R; Schneeweiss, P; Rauschenbeutel, A

2013-06-14

We experimentally study the ground state coherence properties of cesium atoms in a nanofiber-based two-color dipole trap, localized ∼ 200 nm away from the fiber surface. Using microwave radiation to coherently drive the clock transition, we record Ramsey fringes as well as spin echo signals and infer a reversible dephasing time of T(2)(*) = 0.6 ms and an irreversible dephasing time of T(2)(') = 3.7 ms. By modeling the signals, we find that, for our experimental parameters, T(2)(*) and T(2)(') are limited by the finite initial temperature of the atomic ensemble and the heating rate, respectively. Our results represent a fundamental step towards establishing nanofiber-based traps for cold atoms as a building block in an optical fiber quantum network.

Quantum theory of atoms in molecules charge-charge flux-dipole flux models for the infrared intensities of X(2)CY (X = H, F, Cl; Y = O, S) molecules.

PubMed

Faria, Sergio H D M; da Silva, João Viçozo; Haiduke, Roberto L A; Vidal, Luciano N; Vazquez, Pedro A M; Bruns, Roy E

2007-08-16

The molecular dipole moments, their derivatives, and the fundamental IR intensities of the X2CY (X = H, F, Cl; Y = O, S) molecules are determined from QTAIM atomic charges and dipoles and their fluxes at the MP2/6-311++G(3d,3p) level. Root-mean-square errors of +/-0.03 D and +/-1.4 km mol(-1) are found for the molecular dipole moments and fundamental IR intensities calculated using quantum theory of atoms in molecules (QTAIM) parameters when compared with those obtained directly from the MP2/6-311++G(3d,3p) calculations and +/-0.05 D and 51.2 km mol(-1) when compared with the experimental values. Charge (C), charge flux (CF), and dipole flux (DF) contributions are reported for all the normal vibrations of these molecules. A large negative correlation coefficient of -0.83 is calculated between the charge flux and dipole flux contributions and indicates that electronic charge transfer from one side of the molecule to the other during vibrations is accompanied by a relaxation effect with electron density polarization in the opposite direction. The characteristic substituent effect that has been observed for experimental infrared intensity parameters and core electron ionization energies has been applied to the CCFDF/QTAIM parameters of F2CO, Cl2CO, F2CS, and Cl2CS. The individual atomic charge, atomic charge flux, and atomic dipole flux contributions are seen to obey the characteristic substituent effect equation just as accurately as the total dipole moment derivative. The CH, CF, and CCl stretching normal modes of these molecules are shown to have characteristic sets of charge, charge flux, and dipole flux contributions.

Random numbers certified by Bell's theorem.

PubMed

Pironio, S; Acín, A; Massar, S; de la Giroday, A Boyer; Matsukevich, D N; Maunz, P; Olmschenk, S; Hayes, D; Luo, L; Manning, T A; Monroe, C

2010-04-15

Randomness is a fundamental feature of nature and a valuable resource for applications ranging from cryptography and gambling to numerical simulation of physical and biological systems. Random numbers, however, are difficult to characterize mathematically, and their generation must rely on an unpredictable physical process. Inaccuracies in the theoretical modelling of such processes or failures of the devices, possibly due to adversarial attacks, limit the reliability of random number generators in ways that are difficult to control and detect. Here, inspired by earlier work on non-locality-based and device-independent quantum information processing, we show that the non-local correlations of entangled quantum particles can be used to certify the presence of genuine randomness. It is thereby possible to design a cryptographically secure random number generator that does not require any assumption about the internal working of the device. Such a strong form of randomness generation is impossible classically and possible in quantum systems only if certified by a Bell inequality violation. We carry out a proof-of-concept demonstration of this proposal in a system of two entangled atoms separated by approximately one metre. The observed Bell inequality violation, featuring near perfect detection efficiency, guarantees that 42 new random numbers are generated with 99 per cent confidence. Our results lay the groundwork for future device-independent quantum information experiments and for addressing fundamental issues raised by the intrinsic randomness of quantum theory.

Update and evaluation of decay data for spent nuclear fuel analyses

NASA Astrophysics Data System (ADS)

Simeonov, Teodosi; Wemple, Charles

2017-09-01

Studsvik's approach to spent nuclear fuel analyses combines isotopic concentrations and multi-group cross-sections, calculated by the CASMO5 or HELIOS2 lattice transport codes, with core irradiation history data from the SIMULATE5 reactor core simulator and tabulated isotopic decay data. These data sources are used and processed by the code SNF to predict spent nuclear fuel characteristics. Recent advances in the generation procedure for the SNF decay data are presented. The SNF decay data includes basic data, such as decay constants, atomic masses and nuclide transmutation chains; radiation emission spectra for photons from radioactive decay, alpha-n reactions, bremsstrahlung, and spontaneous fission, electrons and alpha particles from radioactive decay, and neutrons from radioactive decay, spontaneous fission, and alpha-n reactions; decay heat production; and electro-atomic interaction data for bremsstrahlung production. These data are compiled from fundamental (ENDF, ENSDF, TENDL) and processed (ESTAR) sources for nearly 3700 nuclides. A rigorous evaluation procedure of internal consistency checks and comparisons to measurements and benchmarks, and code-to-code verifications is performed at the individual isotope level and using integral characteristics on a fuel assembly level (e.g., decay heat, radioactivity, neutron and gamma sources). Significant challenges are presented by the scope and complexity of the data processing, a dearth of relevant detailed measurements, and reliance on theoretical models for some data.

Designing Metallic and Insulating Nanocrystal Heterostructures to Fabricate Highly Sensitive and Solution Processed Strain Gauges for Wearable Sensors.

PubMed

Lee, Woo Seok; Lee, Seung-Wook; Joh, Hyungmok; Seong, Mingi; Kim, Haneun; Kang, Min Su; Cho, Ki-Hyun; Sung, Yun-Mo; Oh, Soong Ju

2017-12-01

All-solution processed, high-performance wearable strain sensors are demonstrated using heterostructure nanocrystal (NC) solids. By incorporating insulating artificial atoms of CdSe quantum dot NCs into metallic artificial atoms of Au NC thin film matrix, metal-insulator heterostructures are designed. This hybrid structure results in a shift close to the percolation threshold, modifying the charge transport mechanism and enhancing sensitivity in accordance with the site percolation theory. The number of electrical pathways is also manipulated by creating nanocracks to further increase its sensitivity, inspired from the bond percolation theory. The combination of the two strategies achieves gauge factor up to 5045, the highest sensitivity recorded among NC-based strain gauges. These strain sensors show high reliability, durability, frequency stability, and negligible hysteresis. The fundamental charge transport behavior of these NC solids is investigated and the combined site and bond percolation theory is developed to illuminate the origin of their enhanced sensitivity. Finally, all NC-based and solution-processed strain gauge sensor arrays are fabricated, which effectively measure the motion of each finger joint, the pulse of heart rate, and the movement of vocal cords of human. This work provides a pathway for designing low-cost and high-performance electronic skin or wearable devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cobalt and iron segregation and nitride formation from nitrogen plasma treatment of CoFeB surfaces

NASA Astrophysics Data System (ADS)

Mattson, E. C.; Michalak, D. J.; Veyan, J. F.; Chabal, Y. J.

2017-02-01

Cobalt-iron-boron (CoFeB) thin films are the industry standard for ferromagnetic layers in magnetic tunnel junction devices and are closely related to the relevant surfaces of CoFe-based catalysts. Identifying and understanding the composition of their surfaces under relevant processing conditions is therefore critical. Here we report fundamental studies on the interaction of nitrogen plasma with CoFeB surfaces using infrared spectroscopy, x-ray photoemission spectroscopy, and low energy ion scattering. We find that, upon exposure to nitrogen plasma, clean CoFeB surfaces spontaneously reorganize to form an overlayer comprised of Fe2N3 and BN, with the Co atoms moved well below the surface through a chemically driven process. Subsequent annealing to 400 °C removes nitrogen, resulting in a Fe-rich termination of the surface region.

Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing

PubMed Central

Vandivort, Kirby L.; Barragan, Angela; Singharoy, Abhishek; Teo, Ivan; Ribeiro, João V.; Isralewitz, Barry; Liu, Bo; Goh, Boon Chong; Phillips, James C.; MacGregor-Chatwin, Craig; Johnson, Matthew P.; Kourkoutis, Lena F.; Hunter, C. Neil

2016-01-01

The cellular process responsible for providing energy for most life on Earth, namely photosynthetic light-harvesting, requires the cooperation of hundreds of proteins across an organelle, involving length and time scales spanning several orders of magnitude over quantum and classical regimes. Simulation and visualization of this fundamental energy conversion process pose many unique methodological and computational challenges. We present, in two accompanying movies, light-harvesting in the photosynthetic apparatus found in purple bacteria, the so-called chromatophore. The movies are the culmination of three decades of modeling efforts, featuring the collaboration of theoretical, experimental, and computational scientists. We describe the techniques that were used to build, simulate, analyze, and visualize the structures shown in the movies, and we highlight cases where scientific needs spurred the development of new parallel algorithms that efficiently harness GPU accelerators and petascale computers. PMID:27274603

Generation and the role of dislocations in single-crystalline phase-change In 2 Se 3 nanowires under electrical pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mafi, Elham; Tao, Xin; Zhu, Wenguang

2016-07-08

Using single crystalline In2Se3 nanowires as a platform, we have studied the RESET switching (from low to high electrical resistance) in this phase-change material under electric pulses. Particularly, we correlated the atomic-scale structural evolutions with local electrical resistance variations, by performing transmission electron microscopy and scanning Kelvin probe microscopy on the same nanowires. By coupling the experimental results with density functional theory calculations, we show that the immobile dislocations generated via vacancy condensations are responsible for the RESET switching and that the material maintains the single crystallinity during the process. This new mechanism is fundamentally different from the crystalline-amorphous transition,more » which is commonly understood as the underlying process for the RESET switching in similar phase-change materials.« less

The Use of NMR to Study Transient Carbohydrate-Protein Interactions.

PubMed

Nieto, Pedro M

2018-01-01

Carbohydrates are biologically ubiquitous and are essential to the existence of all known living organisms. Although they are better known for their role as energy sources (glucose/glycogen or starch) or structural elements (chitin or cellulose), carbohydrates also participate in the recognition events of molecular recognition processes. Such interactions with other biomolecules (nucleic acids, proteins, and lipids) are fundamental to life and disease. This review focuses on the application of NMR methods to understand at the atomic level the mechanisms by which sugar molecules can be recognized by proteins to form complexes, creating new entities with different properties to those of the individual component molecules. These processes have recently gained attention as new techniques have been developed, while at the same time old techniques have been reinvented and adapted to address newer emerging problems.

Anitproton-matter interactions in antiproton applications

NASA Technical Reports Server (NTRS)

Morgan, David L., Jr.

1990-01-01

By virtue of the highly energetic particles released when they annihilate in matter, antiprotons have a variety of potentially important applications. Among others, these include remote 3-D density and composition imaging of the human body and also of thick, dense materials, cancer therapy, and spacecraft propulsion. Except for spacecraft propulsion, the required numbers of low energy antiprotons can be produced, stored, and transported through reliance on current or near term technology. Paramount to these applications and to fundamental research involving antiprotons is knowledge of how antiprotons interact with matter. The basic annihilation process is fairly well understood, but the antiproton annihilation and energy loss rates in matter depend in complex ways on a number of atomic processes. The rates, and the corresponding cross sections, were measured or are accurately predictable only for limited combinations of antiproton kinetic energy and material species.

Solid-state harmonics beyond the atomic limit.

PubMed

Ndabashimiye, Georges; Ghimire, Shambhu; Wu, Mengxi; Browne, Dana A; Schafer, Kenneth J; Gaarde, Mette B; Reis, David A

2016-06-23

Strong-field laser excitation of solids can produce extremely nonlinear electronic and optical behaviour. As recently demonstrated, this includes the generation of high harmonics extending into the vacuum-ultraviolet and extreme-ultraviolet regions of the electromagnetic spectrum. High harmonic generation is shown to occur fundamentally differently in solids and in dilute atomic gases. How the microscopic mechanisms in the solid and the gas differ remains a topic of intense debate. Here we report a direct comparison of high harmonic generation in the solid and gas phases of argon and krypton. Owing to the weak van der Waals interaction, rare (noble)-gas solids are a near-ideal medium in which to study the role of high density and periodicity in the generation process. We find that the high harmonic generation spectra from the rare-gas solids exhibit multiple plateaus extending well beyond the atomic limit of the corresponding gas-phase harmonics measured under similar conditions. The appearance of multiple plateaus indicates strong interband couplings involving multiple single-particle bands. We also compare the dependence of the solid and gas harmonic yield on laser ellipticity and find that they are similar, suggesting the importance of electron-hole recollision in these solids. This implies that gas-phase methods such as polarization gating for attosecond pulse generation and orbital tomography could be realized in solids.

Multiphysics control of a two-fluid coaxial atomizer supported by electric-charge on the liquid jet

NASA Astrophysics Data System (ADS)

Machicoane, Nathanael; Osuna, Rodrigo; Aliseda, Alberto

2017-11-01

We present an experimental setup to investigate multiphysics control strategies on atomization of a laminar fluid stream by a coaxial turbulent jet. Spray control (i.e. driving the droplet size distribution and the spatio-temporal location of the droplets towards a desired objective) has many potential engineering applications, but requires a mechanistic understanding of the processes that control droplet formation and transport (primary and secondary instabilities, turbulent transport, hydrodynamic and electric forces on the droplets, ...). We characterize experimentally the break-up dynamics in a canonical coaxial atomizer, and the spray structure (droplet size, location, and velocity as a function of time) in a series of open loop conditions with harmonic forcing of the gas swirl ratio, liquid injection rate, the electric field strength at the nozzle and along the spray development region. The effect of these actuators are characterized for different gas Reynolds numbers ranging from 104-106. This open-loop characterization of the injector will be used to develop reduced order models for feedback control, as well as to validate assumptions underlying an adjoint-based computational control strategy. This work is part of a large-scale project funded by an ONR MURI to provide fundamental understanding of the mechanisms for feedback control of sprays.

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy.

PubMed

Guo, Jing; You, Sifan; Wang, Zhichang; Peng, Jinbo; Ma, Runze; Jiang, Ying

2018-05-27

Water/solid interfaces are ubiquitous and play a key role in many environmental, biophysical, and technological processes. Resolving the internal structure and probing the hydrogen-bond (H-bond) dynamics of the water molecules adsorbed on solid surfaces are fundamental issues of water science, which remains a great challenge owing to the light mass and small size of hydrogen. Scanning tunneling microscopy (STM) is a promising tool for attacking these problems, thanks to its capabilities of sub-Ångström spatial resolution, single-bond vibrational sensitivity, and atomic/molecular manipulation. The designed experimental system consists of a Cl-terminated tip and a sample fabricated by dosing water molecules in situ onto the Au(111)-supported NaCl(001) surfaces. The insulating NaCl films electronically decouple the water from the metal substrates, so the intrinsic frontier orbitals of water molecules are preserved. The Cl-tip facilitates the manipulation of the single water molecules, as well as gating the orbitals of water to the proximity of Fermi level (EF) via tip-water coupling. This paper outlines the detailed methods of submolecular resolution imaging, molecular/atomic manipulation, and single-bond vibrational spectroscopy of interfacial water. These studies open up a new route for investigating the H-bonded systems at the atomic scale.

The Volume Field Model about Strong Interaction and Weak Interaction

NASA Astrophysics Data System (ADS)

Liu, Rongwu

2016-03-01

For a long time researchers have believed that strong interaction and weak interaction are realized by exchanging intermediate particles. This article proposes a new mechanism as follows: Volume field is a form of material existence in plane space, it takes volume-changing motion in the form of non-continuous motion, volume fields have strong interaction or weak interaction between them by overlapping their volume fields. Based on these concepts, this article further proposes a ``bag model'' of volume field for atomic nucleus, which includes three sub-models of the complex structure of fundamental body (such as quark), the atom-like structure of hadron, and the molecule-like structure of atomic nucleus. This article also proposes a plane space model and formulates a physics model of volume field in the plane space, as well as a model of space-time conversion. The model of space-time conversion suggests that: Point space-time and plane space-time convert each other by means of merging and rupture respectively, the essence of space-time conversion is the mutual transformations of matter and energy respectively; the process of collision of high energy hadrons, the formation of black hole, and the Big Bang of universe are three kinds of space-time conversions.

Even-parity resonances with synchrotron radiation from Laser Excited Lithium at 1s^22p State

NASA Astrophysics Data System (ADS)

Huang, Ming-Tie; Wehlitz, Ralf

2010-03-01

Correlated many-body dynamics is still one of the unsolved fundamental problems in physics. Such correlation effects can be most clearly studied in processes involving single atoms for their simplicity.Lithium, being the simplest open shell atom, has been under a lot of study. Most of the studies focused on ground state lithium. However, only odd parity resonances can be populated through single photon (synchrotron radiation) absorption from ground state lithium (1s^22s). Lithium atoms, after being laser excited to the 1s^22p state, allow the study of even parity resonances. We have measured some of the even parity resonances of lithium for resonant energies below 64 eV. A single-mode diode laser is used to excite lithium from 1s^22s ground state to 1s^22p (^2P3/2) state. Photoions resulting from the interaction between the excited lithium and synchrotron radiation were analyzed and collected by an ion time-of-flight (TOF) spectrometer with a Z- stack channel plate detector. The Li^+ ion yield was recorded while scanning the undulator along with the monochromator. The energy scans have been analyzed regarding resonance energies and parameters of the Fano profiles. Our results for the observed resonances will be presented.

Faculty Member for Research in an Undergraduate Institution Prize Talk: Research and Teaching through high-precision spectroscopy of heavy atoms

NASA Astrophysics Data System (ADS)

Majumder, Tiku

2017-04-01

In recent decades, substantial experimental effort has centered on heavy (high-Z) atomic and molecular systems for atomic-physics-based tests of standard model physics, through (for example) measurements of atomic parity nonconservation and searches for permanent electric dipole moments. In all of this work, a crucial role is played by atomic theorists, whose accurate wave function calculations are essential in connecting experimental observables to tests of relevant fundamental physics parameters. At Williams College, with essential contributions from dozens of undergraduate students, we have pursued a series of precise atomic structure measurements in heavy metal atoms such as thallium, indium, and lead. These include measurements of hyperfine structure, transition amplitudes, and atomic polarizability. This work, involving diode lasers, heated vapor cells, and an atomic beam apparatus, has both tested the accuracy and helped guide the refinement of new atomic theory calculations. I will discuss a number of our recent experimental results, emphasizing the role played by students and the opportunities that have been afforded for research-training in this undergraduate environment. Work supported by Research Corporation, the NIST Precision Measurement Grants program, and the National Science Foundation.

The Scientific Legacy of Ugo Fano

NASA Astrophysics Data System (ADS)

Inokuti, Mitio

2001-04-01

In 1934 Fano received a Sc. D. degree in mathematics at University of Turin, Italy (the city of his birth in 1912). He was then led to physics by his cousin Guilio Racah, and received postdoctoral training from Fermi at Rome and from Heisenberg at Leipzig. He worked at institutions near Washington, D. C. during the war, and joined the staff of the National Bureau of Standards in 1946. He became a professor of physics at The University of Chicago in 1966. His contributions to radiation physics, atomic and molecular physics, and statistical physics are extensive and outstanding. Recognition includes many honors such as the Fermi Award by the DOE, and terms such as the Beutler-Fano profile of certain spectral lines, the Fano factor characterizing the fluctuations of the radiation-induced ionization, the Fano-Lichten mechanism for inelastic atomic collisions, and the Fano effect leading to spin-polarized photoelectrons. His work follows a style inherited from Fermi and is characterized by incisive insight into the physics behind experimental data, penetrating mathematical analysis, and close communications with many colleagues. Because he took a leading role in developing new areas of research and in nurturing young scientists, his influence now permeates many topics of physics. They include far uv and soft x-ray spectroscopy with synchrotron radiation and fundamental radiological physics, both stemming from his time at NBS, as well as multi-channel quantum-defect theory and hyperspherical-coordinate approach, both pioneered at Chicago. Fuller accounts of his life and science are seen in Inokuti [1], in Rau [2], and in a forthcoming special issue of Physics Essays in his honor. The present work is supported by U. S. DOE, Office of Science, Nuclear Physics Division, under Contract No. W-31-109-Eng-38. References 1. M. Inokuti, in Fundamental Processes of Atomic Dynamics, J. S. Briggs et al. (eds.), (Plenum, New York, 1988), p. 1. 2. A. R. P. Rau, Comments At. Mol. Phys. 33, 181 (1997).

Ab initio modeling of transport and thermodynamic stability for hafnia memristive devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Xiaoliang; Rungger, Ivan; Zapol, Peter

HfO 2-based memristive switching devices are currently under intensive investigation due to their high performance and mature fabrication techniques. However, several critical issues have to be addressed to bring them from lab to market. We have recently looked into two important issues with the use of density functional theory methods. One is the wide distribution of device resistance in off-states. We have modeled the switching process of a Pt-HfO 2-Pt structure for which quantized conductance was observed. Oxygen atoms moving inside a conductive oxygen vacancy filament divide the filament into several quantum wells. Device conductance changes exponentially when one oxygenmore » atom moves away from interface into filament. We propose that the high sensitivity of device conductance to the position of oxygen atoms results in the large variation of device off-state resistance. Another issue that we have recently addressed is the poor switching performance of devices based on a TiN-HfO 2-TiN structure. While recent experiments have shown that by inserting an "oxygen scavenger" metal between positive electrode and oxide significantly improves device performance, the fundamental understanding of the improvement is lacking.We provide detailed understanding how scavenger layers improve device performance. First, we show that Ta insertion facilitates formation of on-states by reducing the formation energy. Second, the inserted Ta layer reduces the Schottky barrier height in the off-states by changing interface electric dipole at the oxide electrode interface. Nevertheless, the device maintains a high on/off resistance ratio. Finally, with Ta insertion the on-state conductance becomes much less sensitive to the specific location from which the oxygen was removed from the oxide. In conclusion, our studies provide fundamental understanding needed for enabling realization of a non-volatile memory technology with reduced energy consumption.« less

Ab initio modeling of transport and thermodynamic stability for hafnia memristive devices

DOE PAGES

Zhong, Xiaoliang; Rungger, Ivan; Zapol, Peter; ...

2017-09-05

HfO 2-based memristive switching devices are currently under intensive investigation due to their high performance and mature fabrication techniques. However, several critical issues have to be addressed to bring them from lab to market. We have recently looked into two important issues with the use of density functional theory methods. One is the wide distribution of device resistance in off-states. We have modeled the switching process of a Pt-HfO 2-Pt structure for which quantized conductance was observed. Oxygen atoms moving inside a conductive oxygen vacancy filament divide the filament into several quantum wells. Device conductance changes exponentially when one oxygenmore » atom moves away from interface into filament. We propose that the high sensitivity of device conductance to the position of oxygen atoms results in the large variation of device off-state resistance. Another issue that we have recently addressed is the poor switching performance of devices based on a TiN-HfO 2-TiN structure. While recent experiments have shown that by inserting an "oxygen scavenger" metal between positive electrode and oxide significantly improves device performance, the fundamental understanding of the improvement is lacking.We provide detailed understanding how scavenger layers improve device performance. First, we show that Ta insertion facilitates formation of on-states by reducing the formation energy. Second, the inserted Ta layer reduces the Schottky barrier height in the off-states by changing interface electric dipole at the oxide electrode interface. Nevertheless, the device maintains a high on/off resistance ratio. Finally, with Ta insertion the on-state conductance becomes much less sensitive to the specific location from which the oxygen was removed from the oxide. In conclusion, our studies provide fundamental understanding needed for enabling realization of a non-volatile memory technology with reduced energy consumption.« less

Dynamic fracture of tantalum under extreme tensile stress

DOE PAGES

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily; ...

2017-06-02

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power opticalmore » laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of Embedded Image ~2 × 10 8 to 3.5 × 10 8 s -1. A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions.« less

Growth kinetics for temperature-controlled atomic layer deposition of GaN using trimethylgallium and remote-plasma-excited NH3

NASA Astrophysics Data System (ADS)

Pansila, P.; Kanomata, K.; Miura, M.; Ahmmad, B.; Kubota, S.; Hirose, F.

2015-12-01

Fundamental surface reactions in the atomic layer deposition of GaN with trimethylgallium (TMG) and plasma-excited NH3 are investigated by multiple-internal-reflection infrared absorption spectroscopy (MIR-IRAS) at surface temperatures varying from room temperature (RT) to 400 °C. It is found that TMG is saturated at RT on GaN surfaces when the TMG exposure exceeds 8 × 104 Langmuir (L), where 1 L corresponds to 1.33 × 10-4 Pa s (or 1.0 × 10-6 Torr s), and its saturation density reaches the maximum value at RT. Nitridation with the plasma-excited NH3 on the TMG-saturated GaN surface is investigated by X-ray photoelectron spectroscopy (XPS). The nitridation becomes effective at surface temperatures in excess of 100 °C. The reaction models of TMG adsorption and nitridation on the GaN surface are proposed in this paper. Based on the surface analysis, a temperature-controlled ALD process consisting of RT-TMG adsorption and nitridation at 115 °C is examined, where the growth per cycle of 0.045 nm/cycle is confirmed. XPS analysis indicates that all N atoms are bonded as GaN. Atomic force microscopy indicates an average roughness of 0.23 nm. We discuss the reaction mechanism of GaN ALD in the low-temperature region at around 115 °C with TMG and plasma-excited NH3.

Novel systems and methods for quantum communication, quantum computation, and quantum simulation

NASA Astrophysics Data System (ADS)

Gorshkov, Alexey Vyacheslavovich

Precise control over quantum systems can enable the realization of fascinating applications such as powerful computers, secure communication devices, and simulators that can elucidate the physics of complex condensed matter systems. However, the fragility of quantum effects makes it very difficult to harness the power of quantum mechanics. In this thesis, we present novel systems and tools for gaining fundamental insights into the complex quantum world and for bringing practical applications of quantum mechanics closer to reality. We first optimize and show equivalence between a wide range of techniques for storage of photons in atomic ensembles. We describe experiments demonstrating the potential of our optimization algorithms for quantum communication and computation applications. Next, we combine the technique of photon storage with strong atom-atom interactions to propose a robust protocol for implementing the two-qubit photonic phase gate, which is an important ingredient in many quantum computation and communication tasks. In contrast to photon storage, many quantum computation and simulation applications require individual addressing of closely-spaced atoms, ions, quantum dots, or solid state defects. To meet this requirement, we propose a method for coherent optical far-field manipulation of quantum systems with a resolution that is not limited by the wavelength of radiation. While alkali atoms are currently the system of choice for photon storage and many other applications, we develop new methods for quantum information processing and quantum simulation with ultracold alkaline-earth atoms in optical lattices. We show how multiple qubits can be encoded in individual alkaline-earth atoms and harnessed for quantum computing and precision measurements applications. We also demonstrate that alkaline-earth atoms can be used to simulate highly symmetric systems exhibiting spin-orbital interactions and capable of providing valuable insights into strongly correlated physics of transition metal oxides, heavy fermion materials, and spin liquid phases. While ultracold atoms typically exhibit only short-range interactions, numerous exotic phenomena and practical applications require long-range interactions, which can be achieved with ultracold polar molecules. We demonstrate the possibility to engineer a repulsive interaction between polar molecules, which allows for the suppression of inelastic collisions, efficient evaporative cooling, and the creation of novel phases of polar molecules.

Lévy walks

NASA Astrophysics Data System (ADS)

Zaburdaev, V.; Denisov, S.; Klafter, J.

2015-04-01

Random walk is a fundamental concept with applications ranging from quantum physics to econometrics. Remarkably, one specific model of random walks appears to be ubiquitous across many fields as a tool to analyze transport phenomena in which the dispersal process is faster than dictated by Brownian diffusion. The Lévy-walk model combines two key features, the ability to generate anomalously fast diffusion and a finite velocity of a random walker. Recent results in optics, Hamiltonian chaos, cold atom dynamics, biophysics, and behavioral science demonstrate that this particular type of random walk provides significant insight into complex transport phenomena. This review gives a self-consistent introduction to Lévy walks, surveys their existing applications, including latest advances, and outlines further perspectives.

N-Heterocyclic Carbenes as Promotors for the Rearrangement of Phosphaketenes to Phosphaheteroallenes: A Case Study for OCP to OPC Constitutional Isomerism.

PubMed

Li, Zhongshu; Chen, Xiaodan; Benkő, Zoltán; Liu, Liu; Ruiz, David A; Peltier, Jesse L; Bertrand, Guy; Su, Chen-Yong; Grützmacher, Hansjörg

2016-05-10

The concept of isomerism is essential to chemistry and allows defining molecules with an identical composition but different connectivity (bonds) between their atoms (constitutional isomers) and/or a different arrangement in space (stereoisomers). The reaction of phosphanyl ketenes, (NHP)-P=C=O (NHP=N-heterocyclic phosphenium) with N-heterocyclic carbenes (NHCs) leads to phosphaheteroallenes (NHP)-O-P=C=NHC in which the PCO unit has been isomerized to OPC. Based on the isolation of several intermediates and DFT calculations, a mechanism for this fundamental isomerisation process is proposed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular structure, spectroscopic (FTIR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO-LUMO analysis of 2,4-difluoroacetophenone

NASA Astrophysics Data System (ADS)

Jeyavijayan, S.

2015-02-01

The FTIR and FT-Raman spectra of 2,4-difluoroacetophenone (DFAP) have been recorded in the regions 4000-400 cm-1 and 3500-50 cm-1, respectively. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, were calculated by density functional theory (DFT/B3LYP) method with 6-31+G(d,p) and 6-311++G(d,p) basis sets. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. A detailed interpretation of the infrared and Raman spectra of DFAP is also reported based on total energy distribution (TED). Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The MEP map shows the negative potential sites are on oxygen atom as well as the positive potential sites are around the hydrogen atoms. The UV-Vis spectral analysis of DFAP has also been done which confirms the charge transfer of DFAP. The chemical shifts of H atoms and C atoms were calculated using NMR analysis. Furthermore, the polarizability, the first hyperpolarizability and total dipole moment of the molecule have been calculated.

Identifying local structural states in atomic imaging by computer vision

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laanait, Nouamane; Ziatdinov, Maxim; He, Qian

The availability of atomically resolved imaging modalities enables an unprecedented view into the local structural states of materials, which manifest themselves by deviations from the fundamental assumptions of periodicity and symmetry. Consequently, approaches that aim to extract these local structural states from atomic imaging data with minimal assumptions regarding the average crystallographic configuration of a material are indispensable to advances in structural and chemical investigations of materials. Here, we present an approach to identify and classify local structural states that is rooted in computer vision. This approach introduces a definition of a structural state that is composed of both localmore » and non-local information extracted from atomically resolved images, and is wholly untethered from the familiar concepts of symmetry and periodicity. Instead, this approach relies on computer vision techniques such as feature detection, and concepts such as scale-invariance. We present the fundamental aspects of local structural state extraction and classification by application to simulated scanning transmission electron microscopy images, and analyze the robustness of this approach in the presence of common instrumental factors such as noise, limited spatial resolution, and weak contrast. Finally, we apply this computer vision-based approach for the unsupervised detection and classification of local structural states in an experimental electron micrograph of a complex oxides interface, and a scanning tunneling micrograph of a defect engineered multilayer graphene surface.« less

Whispering gallery states of neutrons and anti-hydrogen atoms and their applications to fundamental and surface physics

NASA Astrophysics Data System (ADS)

Nesvizhevsky, Valery

2013-03-01

The `whispering gallery' effect has been known since ancient times for sound waves in air, later in water and more recently for a broad range of electromagnetic waves: radio, optics, Roentgen and so on. It is intensively used and explored due to its numerous crucial applications. It consists of wave localization near a curved reflecting surface and is expected for waves of various natures, for instance, for neutrons and (anti)atoms. For (anti)matter waves, it includes a new feature: a massive particle is settled in quantum states, with parameters depending on its mass. In this talk, we present the first observation of the quantum whispering-gallery effect for matter particles (cold neutrons) 1-2. This phenomenon provides an example of an exactly solvable problem analogous to the `quantum bouncer'; it is complementary to recently discovered gravitational quantum states of neutrons3. These two phenomena provide a direct demonstration of the weak equivalence principle for a massive particle in a quantum state. Deeply bound long-living states are weakly sensitive to surface potential; highly excited short-living states are very sensitive to the wall nuclear potential shape. Therefore, they are a promising tool for studying fundamental neutron-matter interactions, quantum neutron optics and surface physics effects. Analogous phenomena could be measured with atoms and anti-atoms 4-5.

Identifying local structural states in atomic imaging by computer vision

DOE PAGES

Laanait, Nouamane; Ziatdinov, Maxim; He, Qian; ...

2016-11-02

The availability of atomically resolved imaging modalities enables an unprecedented view into the local structural states of materials, which manifest themselves by deviations from the fundamental assumptions of periodicity and symmetry. Consequently, approaches that aim to extract these local structural states from atomic imaging data with minimal assumptions regarding the average crystallographic configuration of a material are indispensable to advances in structural and chemical investigations of materials. Here, we present an approach to identify and classify local structural states that is rooted in computer vision. This approach introduces a definition of a structural state that is composed of both localmore » and non-local information extracted from atomically resolved images, and is wholly untethered from the familiar concepts of symmetry and periodicity. Instead, this approach relies on computer vision techniques such as feature detection, and concepts such as scale-invariance. We present the fundamental aspects of local structural state extraction and classification by application to simulated scanning transmission electron microscopy images, and analyze the robustness of this approach in the presence of common instrumental factors such as noise, limited spatial resolution, and weak contrast. Finally, we apply this computer vision-based approach for the unsupervised detection and classification of local structural states in an experimental electron micrograph of a complex oxides interface, and a scanning tunneling micrograph of a defect engineered multilayer graphene surface.« less

About Essence of the Wave Function on Atomic Level and in Superconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nikulov, A. V.

The wave function was proposed for description of quantum phenomena on the atomic level. But now it is well known that quantum phenomena are observed not only on atomic level and the wave function is used for description of macroscopic quantum phenomena, such as superconductivity. The essence of the wave function on level elementary particles was and is the subject of heated argument among founders of quantum mechanics and other physicists. This essence seems more clear in superconductor. But impossibility of probabilistic interpretation of wave function in this case results to obvious contradiction of quantum principles with some fundamental principlesmore » of physics.« less

Optical atomic clocks

NASA Astrophysics Data System (ADS)

Poli, N.; Oates, C. W.; Gill, P.; Tino, G. M.

2013-12-01

In the last ten years extraordinary results in time and frequency metrology have been demonstrated. Frequency-stabilization techniques for continuous-wave lasers and femtosecond optical frequency combs have enabled a rapid development of frequency standards based on optical transitions in ultra-cold neutral atoms and trapped ions. As a result, today's best performing atomic clocks tick at an optical rate and allow scientists to perform high-resolution measurements with a precision approaching a few parts in 1018. This paper reviews the history and the state of the art in optical-clock research and addresses the implementation of optical clocks in a possible future redefinition of the SI second as well as in tests of fundamental physics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sedlacek, J. A.; Kim, E.; Rittenhouse, S. T.

We investigate the (0001) surface of single crystal quartz with a submonolayer of Rb adsorbates. Using Rydberg atom electromagnetically induced transparency, we investigate the electric elds resulting from Rb adsorbed on the quartz surface, and measure the activation energy of the Rb adsorbates. We show that the Rb induces a negative electron affnity (NEA) on the quartz surface. The NEA surface allows for low energy electrons to bind to the surface and cancel the electric eld from the Rb adsorbates. Our results have implications for integrating Rydberg atoms into hybrid quantum systems and the fundamental study of atom-surface interactions, asmore » well as applications for electrons bound to a 2D surface.« less

Single atom emission in an optical resonator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, J.J.; An, K.; Dasari, R.R.

A single atom coupled to a single mode of a radiation field is a fundamental system for studying the interaction of radiation with matter. The study of such systems has come to be called cavity quantum electrodynamics (QED). Atoms coupled to a single mode of a resonator have been studied experimentally and theoretically in several interesting regimes since this basic system was first considered theoretically by Janes and Cummings. The objective of the present chapter is to provide a theoretical framework and present a unifying picture of the various phenomena which can occur in such a system. 35 refs., 11more » figs.« less

The use of analytical surface tools in the fundamental study of wear. [atomic nature of wear

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1977-01-01

Various techniques and surface tools available for the study of the atomic nature of the wear of materials are reviewed These include chemical etching, x-ray diffraction, electron diffraction, scanning electron microscopy, low-energy electron diffraction, Auger emission spectroscopy analysis, electron spectroscopy for chemical analysis, field ion microscopy, and the atom probe. Properties of the surface and wear surface regions which affect wear, such as surface energy, crystal structure, crystallographic orientation, mode of dislocation behavior, and cohesive binding, are discussed. A number of mechanisms involved in the generation of wear particles are identified with the aid of the aforementioned tools.

Advances in antihydrogen physics.

PubMed

Charlton, Mike; Van der Werf, Dirk Peter

2015-01-01

The creation of cold antihydrogen atoms by the controlled combination of positrons and antiprotons has opened up a new window on fundamental physics. More recently, techniques have been developed that allow some antihydrogen atoms to be created at low enough kinetic energies that they can be held inside magnetic minimum neutral atom traps. With confinement times of many minutes possible, it has become feasible to perform experiments to probe the properties of the antiatom for the first time. We review the experimental progress in this area, outline some of the motivation for studying basic aspects of antimatter physics and provide an outlook of where we might expect this field to go in the coming years.

Fundamental Studies of Crystal Growth of Microporous Materials

NASA Technical Reports Server (NTRS)

Dutta, P.; George, M.; Ramachandran, N.; Schoeman, B.; Curreri, Peter A. (Technical Monitor)

2002-01-01

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

Atomic and molecular adsorption on Fe(110)

DOE PAGES

Xu, Lang; Kirvassilis, Demetrios; Bai, Yunhai; ...

2017-09-12

Iron is the principal catalyst for the ammonia synthesis process and the Fischer–Tropsch process, as well as many other heterogeneously catalyzed reactions. It is thus of fundamental importance to understand the interactions between the iron surface and various reaction intermediates. Here in this paper, we present a systematic study of atomic and molecular adsorption behavior over Fe(110) using periodic, self-consistent density functional theory (DFT-GGA) calculations. The preferred binding sites, binding energies, and the corresponding surface deformation energies of five atomic species (H, C, N, O, and S), six molecular species (NH 3, CH 4, N 2, CO, HCN, and NO),more » and eleven molecular fragments (CH, CH 2, CH 3, NH, NH 2, OH, CN, COH, HCO, NOH, and HNO) were determined on the Fe(110) surface at a coverage of 0.25 monolayer. The binding strengths calculated using the PW91 functional decreased in the following order: C> CH > N > O > S > NH > COH > CN > CH2 > NOH > OH > HNO > HCO > NH2 > H > NO > HCN > CH 3 > CO > N 2 > NH 3. No stable binding structures were observed for CH 4. The estimated diffusion barriers and pathways, as well as the adsorbate-surface and intramolecular vibrational modes of all the adsorbates at their preferred binding sites, were identified. Using the calculated adsorption energetics, we constructed the potential energy surfaces for a few surface reactions including the decomposition of methane, ammonia, dinitrogen, carbon monoxide, and nitric oxide. These potential energy surfaces provide valuable insight into the ability of Fe(110) to catalyze common elementary steps.« less

A Study of Vertical Transport through Graphene toward Control of Quantum Tunneling.

PubMed

Zhu, Xiaodan; Lei, Sidong; Tsai, Shin-Hung; Zhang, Xiang; Liu, Jun; Yin, Gen; Tang, Min; Torres, Carlos M; Navabi, Aryan; Jin, Zehua; Tsai, Shiao-Po; Qasem, Hussam; Wang, Yong; Vajtai, Robert; Lake, Roger K; Ajayan, Pulickel M; Wang, Kang L

2018-02-14

Vertical integration of van der Waals (vdW) materials with atomic precision is an intriguing possibility brought forward by these two-dimensional (2D) materials. Essential to the design and analysis of these structures is a fundamental understanding of the vertical transport of charge carriers into and across vdW materials, yet little has been done in this area. In this report, we explore the important roles of single layer graphene in the vertical tunneling process as a tunneling barrier. Although a semimetal in the lateral lattice plane, graphene together with the vdW gap act as a tunneling barrier that is nearly transparent to the vertically tunneling electrons due to its atomic thickness and the transverse momenta mismatch between the injected electrons and the graphene band structure. This is accentuated using electron tunneling spectroscopy (ETS) showing a lack of features corresponding to the Dirac cone band structure. Meanwhile, the graphene acts as a lateral conductor through which the potential and charge distribution across the tunneling barrier can be tuned. These unique properties make graphene an excellent 2D atomic grid, transparent to charge carriers, and yet can control the carrier flux via the electrical potential. A new model on the quantum capacitance's effect on vertical tunneling is developed to further elucidate the role of graphene in modulating the tunneling process. This work may serve as a general guideline for the design and analysis of vdW vertical tunneling devices and heterostructures, as well as the study of electron/spin injection through and into vdW materials.

Simultaneous measurement of triboelectrification and triboluminescence of crystalline materials

NASA Astrophysics Data System (ADS)

Collins, Adam L.; Camara, Carlos G.; Van Cleve, Eli; Putterman, Seth J.

2018-01-01

Triboelectrification has been studied for over 2500 years, yet there is still a lack of fundamental understanding as to its origin. Given its utility in areas such as xerography, powder spray painting, and energy harvesting, many devices have been made to investigate triboelectrification at many length-scales, though few seek to additionally make use of triboluminescence: the emission of electromagnetic radiation immediately following a charge separation event. As devices for measuring triboelectrification became smaller and smaller, now measuring down to the atomic scale with atomic force microscope based designs, an appreciation for the collective and multi-scale nature of triboelectrification has perhaps abated. Consider that the energy required to move a unit charge is very large compared to a van der Waals interaction, yet peeling Scotch tape (whose adhesion is derived from van der Waals forces) can provide strong enough energy-focusing to generate X-ray emission. This paper presents a device to press approximately cm-sized materials together in a vacuum, with in situ alignment. Residual surface charge, force, and position and X-ray, visible light, and RF emission are measured for single crystal samples. Charge is therefore tracked throughout the charging and discharging processes, resulting in a more complete picture of triboelectrification, with controllable and measurable environmental influence. Macroscale charging is directly measured, whilst triboluminescence, originating in atomic-scale processes, probes the microscale. The apparatus was built with the goal of obtaining an ab initio-level explanation of triboelectrification for well-defined materials, at the micro- and macro-scale, which has eluded scientists for millennia.

Cold Atom Optics on Ground and in Space

NASA Astrophysics Data System (ADS)

Rasel, E. M.

Microgravity is the ultimate laboratory environment for experiments in fundamental physics based on cold atoms. The talk will give a survey of recent activities on atomic quantum sensors and atom lasers. Inertial atomic quantum sensors are a promising and complementary technique for experiments in fundamental physics. Pioneering experiments at Yale [1,2] and Stanford [3] displayed recently the fascinating potential of matter-wave interferometers for precision measurements. The talk will present the status of a transportable matter-wave sensor under development at the Institut für Quantenoptik in Hannover: CASI. CASI stands for Cold Atom Sagnac Interferometer. The use of cold atoms makes it possible to realise compact devices with sensitivities competitive with classical state-of-the-art sensors. CASI's projected sensitivity is about 10-9 rad/ssurd Hz at the projection noise limit. The heart of our set-up will be a 15cm-long Mach-Zehnder interferometer formed by coherently splitting the atoms with Raman-type interactions. CASI is designed as a movable device, that it can be compared with other matter-wave sensors such as the cold caesium atom gyroscope at the BNM-SYRTE in Paris [4]. CASI is intimately connected with HYPER, an European initiative to send four atom interferometers in space hosted on a drag-free satellite. Main emphasis of the mission is placed on the mapping of the Earth's Lense-Thirring effect. Tests of the Equivalence Principle is under consideration as an alternative goal of high scientific value. HYPER was selected three years ago by the European Space Agency (ESA) as candidate for a future small-satellite mission within the next 10 to 15 years and is supported with detailed feasibility studies [5]. The latest status of the mission will be given. [1] T.L. Gustavson, A. Landragin, M.A, Kasevich, Rotation sensing with a dual atom-interferometer Sagnac gyroscope, Class. Quantum Grav. 17, 2385-2398 (2000) [2] J.M. McGuirk, G.T. Foster, J.B. Fixler, M.J. Snadden, M.A. Kasevich, Sensitive absolute-gravity gradiometry using atom interferometry, Phys. Rev. A 65, 033608-1 (2002) [3] A. Peters, K.Y. Chung, S. Chu, High-precision gravity measurements using atom interferometry, Metrologia 38, 25-61 (2001) [4] F. Yver-Leduc, P. Cheinet, J. Fils, A. Clairon, N. Dimarcq, D. Holleville, P. Bouyer, and A. Landragin. A. J. Opt. B : Quant. Semiclass. Opt. 5, S136 (2003) [5] http://sci.esa.int/home/hyper/index.cfm

Quantum tunneling observed without its characteristic large kinetic isotope effects.

PubMed

Hama, Tetsuya; Ueta, Hirokazu; Kouchi, Akira; Watanabe, Naoki

2015-06-16

Classical transition-state theory is fundamental to describing chemical kinetics; however, quantum tunneling is also important in explaining the unexpectedly large reaction efficiencies observed in many chemical systems. Tunneling is often indicated by anomalously large kinetic isotope effects (KIEs), because a particle's ability to tunnel decreases significantly with its increasing mass. Here we experimentally demonstrate that cold hydrogen (H) and deuterium (D) atoms can add to solid benzene by tunneling; however, the observed H/D KIE was very small (1-1.5) despite the large intrinsic H/D KIE of tunneling (≳ 100). This strong reduction is due to the chemical kinetics being controlled not by tunneling but by the surface diffusion of the H/D atoms, a process not greatly affected by the isotope type. Because tunneling need not be accompanied by a large KIE in surface and interfacial chemical systems, it might be overlooked in other systems such as aerosols or enzymes. Our results suggest that surface tunneling reactions on interstellar dust may contribute to the deuteration of interstellar aromatic and aliphatic hydrocarbons, which could represent a major source of the deuterium enrichment observed in carbonaceous meteorites and interplanetary dust particles. These findings could improve our understanding of interstellar physicochemical processes, including those during the formation of the solar system.

Quantum tunneling observed without its characteristic large kinetic isotope effects

PubMed Central

Hama, Tetsuya; Ueta, Hirokazu; Kouchi, Akira; Watanabe, Naoki

2015-01-01

Classical transition-state theory is fundamental to describing chemical kinetics; however, quantum tunneling is also important in explaining the unexpectedly large reaction efficiencies observed in many chemical systems. Tunneling is often indicated by anomalously large kinetic isotope effects (KIEs), because a particle’s ability to tunnel decreases significantly with its increasing mass. Here we experimentally demonstrate that cold hydrogen (H) and deuterium (D) atoms can add to solid benzene by tunneling; however, the observed H/D KIE was very small (1–1.5) despite the large intrinsic H/D KIE of tunneling (≳100). This strong reduction is due to the chemical kinetics being controlled not by tunneling but by the surface diffusion of the H/D atoms, a process not greatly affected by the isotope type. Because tunneling need not be accompanied by a large KIE in surface and interfacial chemical systems, it might be overlooked in other systems such as aerosols or enzymes. Our results suggest that surface tunneling reactions on interstellar dust may contribute to the deuteration of interstellar aromatic and aliphatic hydrocarbons, which could represent a major source of the deuterium enrichment observed in carbonaceous meteorites and interplanetary dust particles. These findings could improve our understanding of interstellar physicochemical processes, including those during the formation of the solar system. PMID:26034285

Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations.

PubMed

Ruggiero, Michael T; Zeitler, J Axel

2016-11-17

Anharmonicity has been shown to be an important piece of the fundamental framework that dictates numerous observable phenomena. In particular, anharmonicity is the driving force of vibrational relaxation processes, mechanisms that are integral to the proper function of numerous chemical processes. However, elucidating its origins has proven difficult due to experimental and theoretical challenges, specifically related to separating the anharmonic contributions from other unrelated effects. While no one technique is particularly suited for providing a complete picture of anharmonicity, by combining multiple complementary methods such a characterization can be made. In this study the role of individual atomic interactions on the anharmonic properties of crystalline purine, the building block of many DNA and RNA nucleobases, is studied by experimental terahertz time-domain spectroscopy and first-principles density functional theory (DFT) and ab initio molecular dynamics simulations (AIMD). In particular, the detailed vibrational information provided by the DFT calculations is used to interpret the atomic origins of anharmonic-related effects as determined by the AIMD calculations, which are in good agreement with the experimental data. The results highlight that anharmonicity is especially pronounced in the intermolecular interactions, particularly along the amine hydrogen bond coordinate, and yields valuable insight into what is similarly observed complex biosystems and crystalline solids.

Understanding the crystallization behavior of as-deposited Ti-Sb-Te alloys through real-time radial distribution functions.

PubMed

Zhu, Min; Xia, Mengjiao; Song, Zhitang; Cheng, Yan; Wu, Liangcai; Rao, Feng; Song, Sannian; Wang, Miao; Lu, Yegang; Feng, Songlin

2015-06-07

Phase change materials, successfully used in optical data-storage and non-volatile electronic memory, are well-known for their ultrafast crystallization speed. However, the fundamental understanding of their crystallization behavior, especially the nucleation process, is limited by present experimental techniques. Here, real-time radial distribution functions (RDFs), derived from the selected area electron diffractions, are employed as structural probes to comprehensively study both nucleation and subsequent growth stages of Ti-doped Sb2Te3 (TST) materials in the electron-irradiation crystallization process. It can be found that the incorporation of Ti atoms in Sb2Te3 forms wrong bonds such as Ti-Te, Ti-Sb, breaks the originally ordered atomic arrangement and diminishes the initial nucleus size of the as-deposited films, which results in better thermal stability. But these nuclei hardly grow until their sizes exceed a critical value, and then a rapid growth period starts. This means that an extended nucleation time is required to form the supercritical nuclei of TST alloys with higher concentration. Also, the increasing formation of four-membered rings, which served as nucleation sites, after doping excessive Ti is responsible for the change of the crystallization behavior from growth-dominated to nucleation-dominated.

Substrate Effects for Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Yamada, Toshishige; Saini, Subhash (Technical Monitor)

1998-01-01

A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. For excellent structural stability, we demand chemical bonding between the adatoms and substrate atoms, but then good electronic isolation may not be guaranteed. Conditions are clarified for good isolation. Because of the chemical bonding, fundamental adatom properties are strongly influenced: a chain with group IV adatoms having two chemical bonds, or a chain with group III adatoms having one chemical bond is semiconducting. Charge transfer from or to the substrate atoms brings about unintentional doping, and the electronic properties have to be considered for the entire combination of the adatom and substrate systems even if the adatom modes are well localized at the surface.

Atomic scale study of the life cycle of a dislocation in graphene from birth to annihilation

NASA Astrophysics Data System (ADS)

Lehtinen, O.; Kurasch, S.; Krasheninnikov, A. V.; Kaiser, U.

2013-06-01

Dislocations, one of the key entities in materials science, govern the properties of any crystalline material. Thus, understanding their life cycle, from creation to annihilation via motion and interaction with other dislocations, point defects and surfaces, is of fundamental importance. Unfortunately, atomic-scale investigations of dislocation evolution in a bulk object are well beyond the spatial and temporal resolution limits of current characterization techniques. Here we overcome the experimental limits by investigating the two-dimensional graphene in an aberration-corrected transmission electron microscope, exploiting the impinging energetic electrons both to image and stimulate atomic-scale morphological changes in the material. The resulting transformations are followed in situ, atom-by-atom, showing the full life cycle of a dislocation from birth to annihilation. Our experiments, combined with atomistic simulations, reveal the evolution of dislocations in two-dimensional systems to be governed by markedly long-ranging out-of-plane buckling.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Chang W.; Iddir, Hakim; Uzun, Alper

To address the challenge of fast, direct atomic-scale visualization of the diffusion of atoms and clusters on surfaces, we used aberration-corrected scanning transmission electron microscopy (STEM) with high scan speeds (as little as ~0.1 s per frame) to visualize the diffusion of (1) a heavy atom (Ir) on the surface of a support consisting of light atoms, MgO(100), and (2) an Ir 3 cluster on MgO(110). Sequential Z-contrast images elucidate the diffusion mechanisms, including the hopping of Ir1 and the rotational migration of Ir 3 as two Ir atoms remain anchored to the surface. Density functional theory (DFT) calculations providedmore » estimates of the diffusion energy barriers and binding energies of the iridium species to the surfaces. The results show how the combination of fast-scan STEM and DFT calculations allow real-time visualization and fundamental understanding of surface diffusion phenomena pertaining to supported catalysts and other materials.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miao, Jianwei; Ercius, Peter; Billinge, S. J. L.

Crystallography has been fundamental to the development of many fields of science over the last century. However, much of our modern science and technology relies on materials with defects and disorders, and their three-dimensional (3D) atomic structures are not accessible to crystallography. One method capable of addressing this major challenge is atomic electron tomography. By combining advanced electron microscopes and detectors with powerful data analysis and tomographic reconstruction algorithms, it is now possible to determine the 3D atomic structure of crystal defects such as grain boundaries, stacking faults, dislocations, and point defects, as well as to precisely localize the 3Dmore » coordinates of individual atoms in materials without assuming crystallinity. In this work, we review the recent advances and the interdisciplinary science enabled by this methodology. We also outline further research needed for atomic electron tomography to address long-standing unresolved problems in the physical sciences.« less

Atomistic basis for the plastic yield criterion of metallic glass.

PubMed

Schuh, Christopher A; Lund, Alan C

2003-07-01

Because of their disordered atomic structure, amorphous metals (termed metallic glasses) have fundamentally different deformation mechanisms compared with polycrystalline metals. These different mechanisms give metallic glasses high strength, but the extent to which they affect other macroscopic deformation properties is uncertain. For example, the nature of the plastic-yield criterion is a point of contention, with some studies reporting yield behaviour roughly in line with that of polycrystalline metals, and others indicating strong fundamental differences. In particular, it is unclear whether pressure- or normal stress-dependence needs to be included in the plastic-yield criterion of metallic glasses, and how such a dependence could arise from their disordered structure. In this work we provide an atomic-level explanation for pressure-dependent yield in amorphous metals, based on an elementary unit of deformation. This simple model compares favourably with new atomistic simulations of metallic glasses, as well as existing experimental data.

Sulfur-induced structural motifs on copper and gold surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walen, Holly

The interaction of sulfur with copper and gold surfaces plays a fundamental role in important phenomena that include coarsening of surface nanostructures, and self-assembly of alkanethiols. Here, we identify and analyze unique sulfur-induced structural motifs observed on the low-index surfaces of these two metals. We seek out these structures in an effort to better understand the fundamental interactions between these metals and sulfur that lends to the stability and favorability of metal-sulfur complexes vs. chemisorbed atomic sulfur. The experimental observations presented here—made under identical conditions—together with extensive DFT analyses, allow comparisons and insights into factors that favor the existence ofmore » metal-sulfur complexes, vs. chemisorbed atomic sulfur, on metal terraces. We believe this data will be instrumental in better understanding the complex phenomena occurring between the surfaces of coinage metals and sulfur.« less

Quantum entanglement between an optical photon and a solid-state spin qubit.

PubMed

Togan, E; Chu, Y; Trifonov, A S; Jiang, L; Maze, J; Childress, L; Dutt, M V G; Sørensen, A S; Hemmer, P R; Zibrov, A S; Lukin, M D

2010-08-05

Quantum entanglement is among the most fascinating aspects of quantum theory. Entangled optical photons are now widely used for fundamental tests of quantum mechanics and applications such as quantum cryptography. Several recent experiments demonstrated entanglement of optical photons with trapped ions, atoms and atomic ensembles, which are then used to connect remote long-term memory nodes in distributed quantum networks. Here we realize quantum entanglement between the polarization of a single optical photon and a solid-state qubit associated with the single electronic spin of a nitrogen vacancy centre in diamond. Our experimental entanglement verification uses the quantum eraser technique, and demonstrates that a high degree of control over interactions between a solid-state qubit and the quantum light field can be achieved. The reported entanglement source can be used in studies of fundamental quantum phenomena and provides a key building block for the solid-state realization of quantum optical networks.

Optical Atomic Clock for Fundamental Physics and Precision Metrology in Space

NASA Astrophysics Data System (ADS)

Williams, Jason; Le, Thanh; Kulas, Sascha; Yu, Nan

2017-04-01

The maturity of optical atomic clocks (OC), which operate at optical frequencies for higher quality-factor as compared to their microwave counterparts, has rapidly progressed to the point where lab-based systems now outperform the record cesium clocks by orders of magnitude in both accuracy and stability. We will present our efforts to develop a strontium optical clock testbed at JPL, aimed towards extending the exceptional performance demonstrated by OCs from state-of-the-art laboratory designs to a transportable instrument that can fit within the space and power constraints of e.g. a single express rack onboard the International Space Station. The overall technology will find applications for future fundamental physics research, both on ground and in space, precision time keeping, and NASA/JPL time and frequency test capabilities. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

Femtosecond response of polyatomic molecules to ultra-intense hard X-rays.

PubMed

Rudenko, A; Inhester, L; Hanasaki, K; Li, X; Robatjazi, S J; Erk, B; Boll, R; Toyota, K; Hao, Y; Vendrell, O; Bomme, C; Savelyev, E; Rudek, B; Foucar, L; Southworth, S H; Lehmann, C S; Kraessig, B; Marchenko, T; Simon, M; Ueda, K; Ferguson, K R; Bucher, M; Gorkhover, T; Carron, S; Alonso-Mori, R; Koglin, J E; Correa, J; Williams, G J; Boutet, S; Young, L; Bostedt, C; Son, S-K; Santra, R; Rolles, D

2017-06-01

X-ray free-electron lasers enable the investigation of the structure and dynamics of diverse systems, including atoms, molecules, nanocrystals and single bioparticles, under extreme conditions. Many imaging applications that target biological systems and complex materials use hard X-ray pulses with extremely high peak intensities (exceeding 10 20 watts per square centimetre). However, fundamental investigations have focused mainly on the individual response of atoms and small molecules using soft X-rays with much lower intensities. Studies with intense X-ray pulses have shown that irradiated atoms reach a very high degree of ionization, owing to multiphoton absorption, which in a heteronuclear molecular system occurs predominantly locally on a heavy atom (provided that the absorption cross-section of the heavy atom is considerably larger than those of its neighbours) and is followed by efficient redistribution of the induced charge. In serial femtosecond crystallography of biological objects-an application of X-ray free-electron lasers that greatly enhances our ability to determine protein structure-the ionization of heavy atoms increases the local radiation damage that is seen in the diffraction patterns of these objects and has been suggested as a way of phasing the diffraction data. On the basis of experiments using either soft or less-intense hard X-rays, it is thought that the induced charge and associated radiation damage of atoms in polyatomic molecules can be inferred from the charge that is induced in an isolated atom under otherwise comparable irradiation conditions. Here we show that the femtosecond response of small polyatomic molecules that contain one heavy atom to ultra-intense (with intensities approaching 10 20 watts per square centimetre), hard (with photon energies of 8.3 kiloelectronvolts) X-ray pulses is qualitatively different: our experimental and modelling results establish that, under these conditions, the ionization of a molecule is considerably enhanced compared to that of an individual heavy atom with the same absorption cross-section. This enhancement is driven by ultrafast charge transfer within the molecule, which refills the core holes that are created in the heavy atom, providing further targets for inner-shell ionization and resulting in the emission of more than 50 electrons during the X-ray pulse. Our results demonstrate that efficient modelling of X-ray-driven processes in complex systems at ultrahigh intensities is feasible.

Femtosecond response of polyatomic molecules to ultra-intense hard X-rays

DOE PAGES

Rudenko, A.; Inhester, L.; Hanasaki, K.; ...

2017-05-31

We report x-ray free-electron lasers enable the investigation of the structure and dynamics of diverse systems, including atoms, molecules, nanocrystals and single bioparticles, under extreme conditions. Many imaging applications that target biological systems and complex materials use hard X-ray pulses with extremely high peak intensities (exceeding 10 20 watts per square centimetre). However, fundamental investigations have focused mainly on the individual response of atoms and small molecules using soft X-rays with much lower intensities. Studies with intense X-ray pulses have shown that irradiated atoms reach a very high degree of ionization, owing to multiphoton absorption, which in a heteronuclear molecularmore » system occurs predominantly locally on a heavy atom (provided that the absorption cross-section of the heavy atom is considerably larger than those of its neighbours) and is followed by efficient redistribution of the induced charge. In serial femtosecond crystallography of biological objects—an application of X-ray free-electron lasers that greatly enhances our ability to determine protein structure—the ionization of heavy atoms increases the local radiation damage that is seen in the diffraction patterns of these objects and has been suggested as a way of phasing the diffraction data. On the basis of experiments using either soft or less-intense hard X-rays, it is thought that the induced charge and associated radiation damage of atoms in polyatomic molecules can be inferred from the charge that is induced in an isolated atom under otherwise comparable irradiation conditions. Here we show that the femtosecond response of small polyatomic molecules that contain one heavy atom to ultra-intense (with intensities approaching 10 20 watts per square centimetre), hard (with photon energies of 8.3 kiloelectronvolts) X-ray pulses is qualitatively different: our experimental and modelling results establish that, under these conditions, the ionization of a molecule is considerably enhanced compared to that of an individual heavy atom with the same absorption cross-section. This enhancement is driven by ultrafast charge transfer within the molecule, which refills the core holes that are created in the heavy atom, providing further targets for inner-shell ionization and resulting in the emission of more than 50 electrons during the X-ray pulse. Fnally, our results demonstrate that efficient modelling of X-ray-driven processes in complex systems at ultrahigh intensities is feasible.« less

Femtosecond response of polyatomic molecules to ultra-intense hard X-rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rudenko, A.; Inhester, L.; Hanasaki, K.

We report x-ray free-electron lasers enable the investigation of the structure and dynamics of diverse systems, including atoms, molecules, nanocrystals and single bioparticles, under extreme conditions. Many imaging applications that target biological systems and complex materials use hard X-ray pulses with extremely high peak intensities (exceeding 10 20 watts per square centimetre). However, fundamental investigations have focused mainly on the individual response of atoms and small molecules using soft X-rays with much lower intensities. Studies with intense X-ray pulses have shown that irradiated atoms reach a very high degree of ionization, owing to multiphoton absorption, which in a heteronuclear molecularmore » system occurs predominantly locally on a heavy atom (provided that the absorption cross-section of the heavy atom is considerably larger than those of its neighbours) and is followed by efficient redistribution of the induced charge. In serial femtosecond crystallography of biological objects—an application of X-ray free-electron lasers that greatly enhances our ability to determine protein structure—the ionization of heavy atoms increases the local radiation damage that is seen in the diffraction patterns of these objects and has been suggested as a way of phasing the diffraction data. On the basis of experiments using either soft or less-intense hard X-rays, it is thought that the induced charge and associated radiation damage of atoms in polyatomic molecules can be inferred from the charge that is induced in an isolated atom under otherwise comparable irradiation conditions. Here we show that the femtosecond response of small polyatomic molecules that contain one heavy atom to ultra-intense (with intensities approaching 10 20 watts per square centimetre), hard (with photon energies of 8.3 kiloelectronvolts) X-ray pulses is qualitatively different: our experimental and modelling results establish that, under these conditions, the ionization of a molecule is considerably enhanced compared to that of an individual heavy atom with the same absorption cross-section. This enhancement is driven by ultrafast charge transfer within the molecule, which refills the core holes that are created in the heavy atom, providing further targets for inner-shell ionization and resulting in the emission of more than 50 electrons during the X-ray pulse. Fnally, our results demonstrate that efficient modelling of X-ray-driven processes in complex systems at ultrahigh intensities is feasible.« less

Experimental triple-slit interference in a strongly driven V-type artificial atom

NASA Astrophysics Data System (ADS)

Dada, Adetunmise C.; Santana, Ted S.; Koutroumanis, Antonios; Ma, Yong; Park, Suk-In; Song, Jindong; Gerardot, Brian D.

2017-08-01

Rabi oscillations of a two-level atom appear as a quantum interference effect between the amplitudes associated with atomic superpositions, in analogy with the classic double-slit experiment which manifests a sinusoidal interference pattern. By extension, through direct detection of time-resolved resonance fluorescence from a quantum-dot neutral exciton driven in the Rabi regime, we experimentally demonstrate triple-slit-type quantum interference via quantum erasure in a V-type three-level artificial atom. This result is of fundamental interest in the experimental studies of the properties of V-type three-level systems and may pave the way for further insight into their coherence properties as well as applications for quantum information schemes. It also suggests quantum dots as candidates for multipath-interference experiments for probing foundational concepts in quantum physics.

Nanotechnology: Fundamental Principles and Applications

NASA Astrophysics Data System (ADS)

Ranjit, Koodali T.; Klabunde, Kenneth J.

Nanotechnology research is based primarily on molecular manufacturing. Although several definitions have been widely used in the past to describe the field of nanotechnology, it is worthwhile to point out that the National Nanotechnology Initiative (NNI), a federal research and development scheme approved by the congress in 2001 defines nanotechnology only if the following three aspects are involved: (1) research and technology development at the atomic, molecular, or macromolecular levels, in the length scale of approximately 1-100 nanometer range, (2) creating and using structures, devices, and systems that have novel properties and functions because of their small and/or intermediate size, and (3) ability to control or manipulate on the atomic scale. Nanotechnology in essence is the technology based on the manipulation of individual atoms and molecules to build complex structures that have atomic specifications.

Spatial Dependent Spontaneous Emission of an Atom in a Semi-Infinite Waveguide of Rectangular Cross Section

NASA Astrophysics Data System (ADS)

Song, Hai-Xi; Sun, Xiao-Qi; Lu, Jing; Zhou, Lan

2018-01-01

We study a quantum electrodynamics (QED) system made of a two-level atom and a semi-infinite rectangular waveguide, which behaves as a perfect mirror in one end. The spatial dependence of the atomic spontaneous emission has been included in the coupling strength relevant to the eigenmodes of the waveguide. The role of retardation is studied for the atomic transition frequency far away from the cutoff frequencies. The atom-mirror distance introduces different phases and retardation times into the dynamics of the atom interacting resonantly with the corresponding transverse modes. It is found that the upper state population decreases from its initial as long as the atom-mirror distance does not vanish, and is lowered and lowered when more and more transverse modes are resonant with the atom. The atomic spontaneous emission can be either suppressed or enhanced by adjusting the atomic location for short retardation time. There are partial revivals and collapses due to the photon reabsorbed and re-emitted by the atom for long retardation time. Supported by National Natural Science Foundation of China under Grant Nos. 11374095, 11422540, 11434011, and 11575058, National Fundamental Research Program of China (the 973 Program) under Grant No. 2012CB922103, and Hunan Provincial Natural Science Foundation of China under Grant No. 11JJ7001

Probing atomic Higgs-like forces at the precision frontier

NASA Astrophysics Data System (ADS)

Delaunay, Cédric; Ozeri, Roee; Perez, Gilad; Soreq, Yotam

2017-11-01

We propose a novel approach to probe new fundamental interactions using isotope shift spectroscopy in atomic clock transitions. As a concrete toy example we focus on the Higgs boson couplings to the building blocks of matter: the electron and the up and down quarks. We show that the attractive Higgs force between nuclei and their bound electrons, which is poorly constrained, might induce effects that are larger than the current experimental sensitivities. More generically, we discuss how new interactions between the electron and the neutrons, mediated via light new degrees of freedom, may lead to measurable nonlinearities in a King plot comparison between isotope shifts of two different transitions. Given state-of-the-art accuracy in frequency comparison, isotope shifts have the potential to be measured with sub-Hz accuracy, thus potentially enabling the improvement of current limits on new fundamental interactions. A candidate atomic system for this measurement requires two different clock transitions and four zero nuclear spin isotopes. We identify several systems that satisfy this requirement and also briefly discuss existing measurements. We consider the size of the effect related to the Higgs force and the requirements for it to produce an observable signal.

Opportunities for Maturing Precision Metrology with Ultracold Gas Studies Aboard the ISS

NASA Astrophysics Data System (ADS)

Williams, Jason; D'Incao, Jose

2017-04-01

Precision atom interferometers (AI) in space are expected to become an enabling technology for future fundamental physics research, with proposals including unprecedented tests of the validity of the weak equivalence principle, measurements of the fine structure and gravitational constants, and detection of gravity waves and dark matter/dark energy. We will discuss our preparation at JPL to use NASA's Cold Atom Lab facility (CAL) to mature the technology of precision, space-based, AIs. The focus of our flight project is three-fold: a) study the controlled dynamics of heteronuclear Feshbach molecules, at temperatures of nano-Kelvins or below, as a means to overcome uncontrolled density-profile-dependent shifts in differential AIs, b) demonstrate unprecedented atom-photon coherence times with spatially constrained AIs, c) use the imaging capabilities of CAL to detect and analyze spatial fringe patterns written onto the clouds after AI and thereby measure the rotational noise of the ISS. The impact from this work, and potential for follow-on studies, will also be reviewed in the context of future space-based fundamental physics missions. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

Atomic scale imaging of magnetic circular dichroism by achromatic electron microscopy.

PubMed

Wang, Zechao; Tavabi, Amir H; Jin, Lei; Rusz, Ján; Tyutyunnikov, Dmitry; Jiang, Hanbo; Moritomo, Yutaka; Mayer, Joachim; Dunin-Borkowski, Rafal E; Yu, Rong; Zhu, Jing; Zhong, Xiaoyan

2018-03-01

In order to obtain a fundamental understanding of the interplay between charge, spin, orbital and lattice degrees of freedom in magnetic materials and to predict and control their physical properties 1-3 , experimental techniques are required that are capable of accessing local magnetic information with atomic-scale spatial resolution. Here, we show that a combination of electron energy-loss magnetic chiral dichroism 4 and chromatic-aberration-corrected transmission electron microscopy, which reduces the focal spread of inelastically scattered electrons by orders of magnitude when compared with the use of spherical aberration correction alone, can achieve atomic-scale imaging of magnetic circular dichroism and provide element-selective orbital and spin magnetic moments atomic plane by atomic plane. This unique capability, which we demonstrate for Sr 2 FeMoO 6 , opens the door to local atomic-level studies of spin configurations in a multitude of materials that exhibit different types of magnetic coupling, thereby contributing to a detailed understanding of the physical origins of magnetic properties of materials at the highest spatial resolution.

An assessment of memristor intrinsic fluctuations: a measurement of single atomic motion

NASA Astrophysics Data System (ADS)

Borghetti, Julien; Yang, J. Joshua; Medeiros-Ribeiro, Gilberto; Williams, R. Stanley

2010-03-01

Memristors provides electrically tunable resistance for upcoming non-volatile memory and future neuromorphic computing. One of the key benefits of such a device is its scalability, which can be demonstrated from an architectural perspective as well as from a fundamental physics limit. 4D addressing schemes utilizing cross bar structures that can be stacked several layers high above the chip embodies unlimited addressing space. On the other limit, the basic operating principles of memristive devices allow one to reach storage of information in a single atom. In this report of nanoscale (sub 50nm) devices, we detect single atom fluctuations, which would then represent the ultimate limit for noise sources thus delineating the boundary conditions for circuit design. We show that electrically induced individual atom migrations do not affect the overall device atomic configuration until a critical bias where a single local fluctuation triggers a general atomic reconfiguration. This instability illustrates the robustness of the device non-volatility upon small electrical stress.

MicroED Structure of Au146(p-MBA)57 at Subatomic Resolution Reveals a Twinned FCC Cluster.

PubMed

Vergara, Sandra; Lukes, Dylan A; Martynowycz, Michael W; Santiago, Ulises; Plascencia-Villa, Germán; Weiss, Simon C; de la Cruz, M Jason; Black, David M; Alvarez, Marcos M; López-Lozano, Xochitl; Barnes, Christopher O; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L; Gonen, Tamir; Yacaman, Miguel Jose; Calero, Guillermo

2017-11-16

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au 146 (p-MBA) 57 (p-MBA: para-mercaptobenzoic acid), solved by electron micro-diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure, whereas the surface gold atoms follow a C 2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au 146 (p-MBA) 57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault.

MicroED structure of Au146(p-MBA)57 at subatomic resolution reveals a twinned FCC cluster

PubMed Central

Vergara, Sandra; Lukes, Dylan A.; Martynowycz, Michael W.; Santiago, Ulises; Plascencia-Villa, German; Weiss, Simon C.; de la Cruz, M. Jason; Black, David M.; Alvarez, Marcos M.; Lopez-Lozano, Xochitl; Barnes, Christopher O.; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L.; Gonen, Tamir; Jose-Yacaman, Miguel; Calero, Guillermo

2018-01-01

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au146(p-MBA)57 (p-MBA: para-mercaptobenzoic acid), solved by electron diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure whereas the surface gold atoms follow a C2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au146(p-MBA)57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault. PMID:29072840

A detailed evaluation of heating processes in the middle atmosphere

NASA Technical Reports Server (NTRS)

Mlynczak, Martin; Solomon, Susan

1994-01-01

A fundamental problem in the study of the terrestrial middle atmosphere is to calculate accurately the local heating due to the absorption of solar radiation. Knowledge of the heat budget is essential to understanding the atmospheric thermal structure, atmospheric motions, atmospheric chemistry, and their coupling. The evaluation of heating rates is complicated (especially above the stratopause) by the fact that the heating is not a simple one-step process. That is, the absorbed solar energy does not all immediately appear as heat. Rather, substantial portions of the incident energy may appear as internal energy of excited photolysis products (e.g., O(1D) or O2(1 delta)) or as chemical potential energy of product species such as atomic oxygen. The ultimate disposition of the internal and chemical energy possessed by the photolysis products determines the efficiency and thus the rate at which the middle atmosphere is heated. In studies of the heat budget, it is also vitally important to consider transport of long lived chemical species such as atomic oxygen above approximately 80 km. In such cases, the chemical potential energy may be transported great distances (horizontally or vertically) before undergoing a reaction to release the heat. Atomic oxygen influences the heating not only by reactions with itself and with O2 but also by reactions with odd-hydrogen species, especially those involving OH (Mlynczak and Solomon, 1991a). Consequently, absorbed solar energy may finally by converted to heat a long time after and at a location far from the original deposition. The purpose of this paper is to examine the solar and chemical heating processes and to present parameterizations for the heating efficiencies readily applicable for use in numerical models and heat budget studies. In the next two sections the processes relevant to the heating efficiencies for ozone and molecular oxygen will be reviewed. In section 4 the processes for the exothermic reactions will be reviewed and parameterizations for the heating efficiencies for both the solar and chemical processes will be presented in Section 5.

A NANO enhancement to Moore's law

NASA Astrophysics Data System (ADS)

Wu, Jerry; Shen, Yin-Lin; Reinhardt, Kitt; Szu, Harold

2012-06-01

In the past 46 years, Intel Moore observed an exponential doubling in the number of transistors in every 18 months through the size reduction of individual transistor components since 1965. In this paper, we are exploring the nanotechnology impact upon the Law. Since we cannot break down the atomic size barrier, the fact implies a fundamental size limit at the atomic or Nanotechnology scale. This means, no more simple 18 month doubling as in Moore's Law, but other forms of transistor doubling may happen at a different slope in new directions. We are particularly interested in the Nano enhancement area. (i) 3-D: If the progress in shrinking the in-plane dimensions (2D) is to slow down, vertical integration (3D) can help increasing the areal device transistor density and keep us on the modified Moore's Law curve including the 3rd dimension. As the devices continue to shrink further into the 20 to 30 nm range, the consideration of thermal properties and transport in such nanoscale devices becomes increasingly important. (ii) Carbon Computing: Instead of traditional Transistors, the other types of transistors material are rapidly developed in Laboratories Worldwide, e.g. IBM Spintronics bandgap material and Samsung Nano-storage material, HD display Nanotechnology, which are modifying the classical Moore's Law. We shall consider the overall limitation of phonon engineering, fundamental information unit 'Qubyte' in quantum computing, Nano/Micro Electrical Mechanical System (NEMS), Carbon NanoTubes (CNTs), single layer Graphemes, single strip Nano-Ribbons, etc., and their variable degree of fabrication maturities for the computing and information processing applications.

Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale.

PubMed

Groß, Axel

2018-04-23

There is a strong need to improve the efficiency of electrochemical energy storage, but progress is hampered by significant technological and scientific challenges. This review describes the potential contribution of atomic-scale modeling to the development of more efficient batteries, with a particular focus on first-principles electronic structure calculations. Numerical and theoretical obstacles are discussed, along with ways to overcome them, and some recent examples are presented illustrating the insights into electrochemical energy storage that can be gained from quantum chemical studies.

A New Approach to Model Pitch Perception Using Sparse Coding

PubMed Central

Furst, Miriam; Barak, Omri

2017-01-01

Our acoustical environment abounds with repetitive sounds, some of which are related to pitch perception. It is still unknown how the auditory system, in processing these sounds, relates a physical stimulus and its percept. Since, in mammals, all auditory stimuli are conveyed into the nervous system through the auditory nerve (AN) fibers, a model should explain the perception of pitch as a function of this particular input. However, pitch perception is invariant to certain features of the physical stimulus. For example, a missing fundamental stimulus with resolved or unresolved harmonics, or a low and high-level amplitude stimulus with the same spectral content–these all give rise to the same percept of pitch. In contrast, the AN representations for these different stimuli are not invariant to these effects. In fact, due to saturation and non-linearity of both cochlear and inner hair cells responses, these differences are enhanced by the AN fibers. Thus there is a difficulty in explaining how pitch percept arises from the activity of the AN fibers. We introduce a novel approach for extracting pitch cues from the AN population activity for a given arbitrary stimulus. The method is based on a technique known as sparse coding (SC). It is the representation of pitch cues by a few spatiotemporal atoms (templates) from among a large set of possible ones (a dictionary). The amount of activity of each atom is represented by a non-zero coefficient, analogous to an active neuron. Such a technique has been successfully applied to other modalities, particularly vision. The model is composed of a cochlear model, an SC processing unit, and a harmonic sieve. We show that the model copes with different pitch phenomena: extracting resolved and non-resolved harmonics, missing fundamental pitches, stimuli with both high and low amplitudes, iterated rippled noises, and recorded musical instruments. PMID:28099436

A New Approach to Model Pitch Perception Using Sparse Coding.

PubMed

Barzelay, Oded; Furst, Miriam; Barak, Omri

2017-01-01

Our acoustical environment abounds with repetitive sounds, some of which are related to pitch perception. It is still unknown how the auditory system, in processing these sounds, relates a physical stimulus and its percept. Since, in mammals, all auditory stimuli are conveyed into the nervous system through the auditory nerve (AN) fibers, a model should explain the perception of pitch as a function of this particular input. However, pitch perception is invariant to certain features of the physical stimulus. For example, a missing fundamental stimulus with resolved or unresolved harmonics, or a low and high-level amplitude stimulus with the same spectral content-these all give rise to the same percept of pitch. In contrast, the AN representations for these different stimuli are not invariant to these effects. In fact, due to saturation and non-linearity of both cochlear and inner hair cells responses, these differences are enhanced by the AN fibers. Thus there is a difficulty in explaining how pitch percept arises from the activity of the AN fibers. We introduce a novel approach for extracting pitch cues from the AN population activity for a given arbitrary stimulus. The method is based on a technique known as sparse coding (SC). It is the representation of pitch cues by a few spatiotemporal atoms (templates) from among a large set of possible ones (a dictionary). The amount of activity of each atom is represented by a non-zero coefficient, analogous to an active neuron. Such a technique has been successfully applied to other modalities, particularly vision. The model is composed of a cochlear model, an SC processing unit, and a harmonic sieve. We show that the model copes with different pitch phenomena: extracting resolved and non-resolved harmonics, missing fundamental pitches, stimuli with both high and low amplitudes, iterated rippled noises, and recorded musical instruments.

Revealing ionization-induced dynamic recovery in ion-irradiated SrTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velisa, Gihan; Wendler, Elke; Xue, Haizhou

The lack of fundamental understanding on the coupled effects of energy deposition to electrons and atomic nuclei on defect processes and irradiation response poses a significant roadblock for the design and control of material properties. In this work, SrTiO 3 has been irradiated with various ion species over a wide range of ion fluences at room temperature with a goal to deposit different amounts of energy to target electrons and atomic nuclei by varying the ratio of electronic to nuclear energy loss. Here, the results unambiguously show a dramatic difference in behavior of SrTiO 3 irradiated with light ions (Ne,more » O) compared to heavy ions (Ar). While the damage accumulation and amorphization under Ar ion irradiation are consistent with previous observations and existing models, the damage accumulation under Ne irradiation reveals a quasi-saturation state at a fractional disorder of 0.54 at the damage peak for an ion fluence corresponding to a dose of 0.5 dpa; this is followed by further increases in disorder with increasing ion fluence. In the case of O ion irradiation, the damage accumulation at the damage peak closely follows that for Ne ion irradiation up to a fluence corresponding to a dose of 0.5 dpa, where a quasi-saturation of fractional disorder level occurs at about 0.48; however, in this case, the disorder at the damage peak decreases slightly with further increases in fluence. This behavior is associated with changes in kinetics due to irradiation-enhanced diffusional processes that are dependent on electronic energy loss and the ratio of electronic to nuclear energy dissipation. Lastly, these findings are critical for advancing the fundamental understanding of ion-solid interactions and for a large number of applications in oxide electronics where SrTiO 3 is a foundational material.« less

Precision Tests of the Electroweak Interaction using Trapped Atoms and Ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melconian, Daniel George

The objective of the proposed research is to study fundamental aspects of the electroweak interaction via precision measurements in beta decay to test our current understanding of fundamental particles and forces as contained in the so-called "Standard Model" of particle physics. By comparing elegant experiments to rigorous theoretical predictions, we will either confirm the Standard Model to a higher degree and rule out models which seek to extend it, or find evidence of new physics and help guide theorists in developing the New Standard Model. The use of ion and neutral atom traps at radioactive ion beam facilities has openedmore » up a new vista in precision low-energy nuclear physics experiments. Traps provide an ideal source of decaying atoms: they can be extremely cold (~1 mK); they are compact (~1 mm^3); and perhaps most importantly, the daughter particles escape with negligible distortions to their momenta in a scattering-free, open environment. The project is taking advantage of these technologies and applying them to precision beta-decay studies at radioactive beam facilities. The program consists of two complementary efforts: 1) Ion traps are an extremely versatile tool for purifying, cooling and bunching low-energy beams of short-lived nuclei. A large-bore (210~mm) superconducting 7-Tesla solenoid is at the heart of a Penning trap system for which there is a dedicated beamline at T-REX, the upgraded radioactive beam facility at the Cyclotron Institute, Texas A&M University. In addition to providing a general-purpose decay station, the flagship program for this system is measuring the ft-values and beta-neutrino correlation parameters from isospin T=2 superallowed beta-delayed proton decays, complimenting and expanding the already strong program in fundamental interactions at the Institute. 2) A magneto-optical trap is being used at the TRIUMF Neutral Atom Trap facility to observe the (un)polarized angular distribution parameters of isotopes of potassium. We are able to highly polarize laser-cooled atoms and observe their decay with unprecedented precision. The correlation of the daughter beta particle with the initial nuclear spin as well as other correlations are sensitive to physics beyond the Standard Model. Both of these cutting-edge and exciting research efforts will test our understanding of the fundamental symmetries underlying our current theory of electroweak interactions. Complementary to high-energy collider experiments, these low-energy nuclear physics "table-top" experiments will search for new particles and interactions which are not already described by the Standard Model of particle physics. The value of this research is recognized to be cross-disciplinary, exciting and potentially revolutionary in our understanding of nature's fundamental interactions. Accordingly, it has been endorsed by the recent (2007) Nuclear Science Advisory Committee's Long Range Plan as part of their recommendation for a "New Standard Model Initiative." In addition to the near-term benefits of scholarly publications and visibility through description of this work at international conferences, an important benefit of this research program is the training of new, young and enthusiastic nuclear physicists. Participants in this demanding and rewarding field develop a very strong background in physics with experience in a range of its subfields since we use atomic techniques and apply them to a nuclear physics experiment which in the end tests the theories of high-energy physics.« less

Search for light scalar dark matter with atomic gravitational wave detectors

NASA Astrophysics Data System (ADS)

Arvanitaki, Asimina; Graham, Peter W.; Hogan, Jason M.; Rajendran, Surjeet; Van Tilburg, Ken

2018-04-01

We show that gravitational wave detectors based on a type of atom interferometry are sensitive to ultralight scalar dark matter. Such dark matter can cause temporal oscillations in fundamental constants with a frequency set by the dark matter mass and amplitude determined by the local dark matter density. The result is a modulation of atomic transition energies. We point out a new time-domain signature of this effect in a type of gravitational wave detector that compares two spatially separated atom interferometers referenced by a common laser. Such a detector can improve on current searches for electron-mass or electric-charge modulus dark matter by up to 10 orders of magnitude in coupling, in a frequency band complementary to that of other proposals. It demonstrates that this class of atomic sensors is qualitatively different from other gravitational wave detectors, including those based on laser interferometry. By using atomic-clock-like interferometers, laser noise is mitigated with only a single baseline. These atomic sensors can thus detect scalar signals in addition to tensor signals.

Undergraduate Infrared Spectroscopy Experiments.

ERIC Educational Resources Information Center

MacCarthy, Patrick; Bowman, Susan J.

1982-01-01

Highlights procedures and results of an experiment using atomic absorption spectroscope to illustrate a fundamental chemical concept. The experiment demonstrates the dependence of the solubility product of lead sulfate on ionic strength in the presence of a slight excess of anion. (Author/JN)

Crystallographic Information Resources

ERIC Educational Resources Information Center

Glasser, Leslie

2016-01-01

Crystallographic information provides the fundamental basis for understanding the properties and behavior of materials. This data, such as chemical composition, unit cell dimensions, space group, and atomic positions, derives from the primary literature--that is, from published experimental measurement or theoretical calculation. Although the…

Atomic detail brownian dynamics simulations of concentrated protein solutions with a mean field treatment of hydrodynamic interactions.

PubMed

Mereghetti, Paolo; Wade, Rebecca C

2012-07-26

High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. In this paper, we describe the implementation of mean field models of translational and rotational hydrodynamic interactions into an atomically detailed many-protein brownian dynamics simulation method. Concentrated solutions (30-40% volume fraction) of myoglobin, hemoglobin A, and sickle cell hemoglobin S were simulated, and static structure factors, oligomer formation, and translational and rotational self-diffusion coefficients were computed. Good agreement of computed properties with available experimental data was obtained. The results show the importance of both solvent mediated interactions and weak protein-protein interactions for accurately describing the dynamics and the association properties of concentrated protein solutions. Specifically, they show a qualitative difference in the translational and rotational dynamics of the systems studied. Although the translational diffusion coefficient is controlled by macromolecular shape and hydrodynamic interactions, the rotational diffusion coefficient is affected by macromolecular shape, direct intermolecular interactions, and both translational and rotational hydrodynamic interactions.

A Density Functional Theory Study of Codoping Characteristics of Sulfur with Alkaline Earth in Delafossite CuAlO2

NASA Astrophysics Data System (ADS)

Liu, Qi-Jun; Qin, Han; Liu, Zheng-Tang

2016-04-01

The structural, electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO2 have been investigated using the first-principles density functional theory calculations. Our results reveal that the volume of codoping systems increases with the increasing atomic radius of metal atoms. The formation energies under different growth conditions have been calculated, showing that the codoping systems are formed easily under O-rich growth conditions. Electronic band structures and density of states have been obtained. The decreased bandgaps, enhanced covalence and appearance of electron acceptors after codoping are all good for p-type conductivity. Supported by the National Natural Science Foundation of China under Grant Nos. 11347199, 51402244, and 11547311, the Specialized Research Fund for Doctoral Program of Higher Education of China under Grant No. 20130184120028, the Fundamental Research Fund for the Central Universities, China under Grant Nos. 2682014CX084, 2682014ZT30, and 2682014ZT31, and the fund of the State Key Laboratory of Solidification Processing in NWPU under Grant No. SKLSP201511

High-dimensional Controlled-phase Gate Between a 2 N -dimensional Photon and N Three-level Artificial Atoms

NASA Astrophysics Data System (ADS)

Ma, Yun-Ming; Wang, Tie-Jun

2017-10-01

Higher-dimensional quantum system is of great interest owing to the outstanding features exhibited in the implementation of novel fundamental tests of nature and application in various quantum information tasks. High-dimensional quantum logic gate is a key element in scalable quantum computation and quantum communication. In this paper, we propose a scheme to implement a controlled-phase gate between a 2 N -dimensional photon and N three-level artificial atoms. This high-dimensional controlled-phase gate can serve as crucial components of the high-capacity, long-distance quantum communication. We use the high-dimensional Bell state analysis as an example to show the application of this device. Estimates on the system requirements indicate that our protocol is realizable with existing or near-further technologies. This scheme is ideally suited to solid-state integrated optical approaches to quantum information processing, and it can be applied to various system, such as superconducting qubits coupled to a resonator or nitrogen-vacancy centers coupled to a photonic-band-gap structures.

Single-molecule conductance through multiple π-π-stacked benzene rings determined with direct electrode-to-benzene ring connections.

PubMed

Schneebeli, Severin T; Kamenetska, Maria; Cheng, Zhanling; Skouta, Rachid; Friesner, Richard A; Venkataraman, Latha; Breslow, Ronald

2011-02-23

Understanding electron transport across π-π-stacked systems will help to answer fundamental questions about biochemical redox processes and benefit the design of new materials and molecular devices. Herein we employed the STM break-junction technique to measure the single-molecule conductance of multiple π-π-stacked aromatic rings. We studied electron transport through up to four stacked benzene rings held together in an eclipsed fashion via a paracyclophane scaffold. We found that the strained hydrocarbons studied herein couple directly to gold electrodes during the measurements; hence, we did not require any heteroatom binding groups as electrical contacts. Density functional theory-based calculations suggest that the gold atoms of the electrodes bind to two neighboring carbon atoms of the outermost cyclophane benzene rings in η(2) fashion. Our measurements show an exponential decay of the conductance with an increasing number of stacked benzene rings, indicating a nonresonant tunneling mechanism. Furthermore, STM tip-substrate displacement data provide additional evidence that the electrodes bind to the outermost benzene rings of the π-π-stacked molecular wires.

Polymer composites with graphene nanofillers: electrical properties and applications.

PubMed

Tjong, Sie Chin

2014-02-01

Graphene with extraordinary high elastic modulus and excellent electrical conductivity has good prospects for use as the filler material for fabricating novel polymer composites designed for electrostatic discharge and EMI shielding protection, field emission, gas sensor, and fuel cell applications. Large amounts of graphene oxide (GO) can be obtained by wet chemical oxidation of graphite into a mixture of concentrated sulfuric acid, sodium nitrate and potassium permanganate. Accordingly, carbon atoms in the basal plane and edges of GO are decorated with oxygenated functional groups, forming an electrical insulator. To restore electrical conductivity, chemical reduction or thermal annealing is needed to eliminate oxygenated groups of GO. However, such treatments induce internal defects and remove oxygenated atoms of GO partially. The remnant-oxygenated groups affect electrical conductivity of graphene greatly. Nevertheless, reduced graphene oxide and thermally reduced graphene oxide are sufficiently conductive to form polymer nanocomposites at very low percolation threshold. This review provides the fundamentals and state-of-the-art developments in the fabrication methods and electrical property characterizations as well as the applications of novel graphene/polymer nanocomposites. Particular attention is paid to their processing-structural-electrical property relationships.

Ultrafast dynamics of many-body processes and fundamental quantum mechanical phenomena in semiconductors

PubMed Central

Chemla, Daniel S.; Shah, Jagdeep

2000-01-01

The large dielectric constant and small effective mass in a semiconductor allows a description of its electronic states in terms of envelope wavefunctions whose energy, time, and length scales are mesoscopic, i.e., halfway between those of atomic and those of condensed matter systems. This property makes it possible to demonstrate and investigate many quantum mechanical, many-body, and quantum kinetic phenomena with tabletop experiments that would be nearly impossible in other systems. This, along with the ability to custom-design semiconductor nanostructures, makes semiconductors an ideal laboratory for experimental investigations. We present an overview of some of the most exciting results obtained in semiconductors in recent years using the technique of ultrafast nonlinear optical spectrocopy. These results show that Coulomb correlation plays a major role in semiconductors and makes them behave more like a strongly interacting system than like an atomic system. The results provide insights into the physics of strongly interacting systems that are relevant to other condensed matter systems, but not easily accessible in other materials. PMID:10716981

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, F.; Zhu, Y.; Liu, S.

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent across unit cells. Thismore » effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, F.; Zhu, Y.; Liu, S.

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent acrossmore » unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Hierarchical Model for the Analysis of Scattering Data of Complex Materials

DOE PAGES

Oyedele, Akinola; Mcnutt, Nicholas W.; Rios, Orlando; ...

2016-05-16

Interpreting the results of scattering data for complex materials with a hierarchical structure in which at least one phase is amorphous presents a significant challenge. Often the interpretation relies on the use of large-scale molecular dynamics (MD) simulations, in which a structure is hypothesized and from which a radial distribution function (RDF) can be extracted and directly compared against an experimental RDF. This computationally intensive approach presents a bottleneck in the efficient characterization of the atomic structure of new materials. Here, we propose and demonstrate an approach for a hierarchical decomposition of the RDF in which MD simulations are replacedmore » by a combination of tractable models and theory at the atomic scale and the mesoscale, which when combined yield the RDF. We apply the procedure to a carbon composite, in which graphitic nanocrystallites are distributed in an amorphous domain. We compare the model with the RDF from both MD simulation and neutron scattering data. Ultimately, this procedure is applicable for understanding the fundamental processing-structure-property relationships in complex magnetic materials.« less

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

DOE PAGES

Chen, F.; Zhu, Y.; Liu, S.; ...

2016-11-22

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent acrossmore » unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.« less

Light-induced defects in hybrid lead halide perovskite

NASA Astrophysics Data System (ADS)

Sharia, Onise; Schneider, William

One of the main challenges facing organohalide perovskites for solar application is stability. Solar cells must last decades to be economically viable alternatives to traditional energy sources. While some causes of instability can be avoided through engineering, light-induced defects can be fundamentally limiting factor for practical application of the material. Light creates large numbers of electron and hole pairs that can contribute to degradation processes. Using ab initio theoretical methods, we systematically explore first steps of light induced defect formation in methyl ammonium lead iodide, MAPbI3. In particular, we study charged and neutral Frenkel pair formation involving Pb and I atoms. We find that most of the defects, except negatively charged Pb Frenkel pairs, are reversible, and thus most do not lead to degradation. Negative Pb defects create a mid-gap state and localize the conduction band electron. A minimum energy path study shows that, once the first defect is created, Pb atoms migrate relatively fast. The defects have two detrimental effects on the material. First, they create charge traps below the conduction band. Second, they can lead to degradation of the material by forming Pb clusters.

Ab-initio simulations on adhesion and material transfer between contacting Al and TiN surfaces

NASA Astrophysics Data System (ADS)

Feldbauer, Gregor; Wolloch, Michael; Mohn, Peter; Redinger, Josef; Vernes, Andras

2014-03-01

Contacts of surfaces at the atomic scale are crucial in many modern applications from analytical techniques like indentation or AFM experiments to technologies such as nano- and micro-electro-mechanical-systems (N-/M-EMS). Furthermore, detailed insights into such contacts are fundamental for a better understanding of tribological processes like wear. A series of simulations is performed within the framework of Density Functional Theory (DFT) to investigate the approaching, contact and subsequent separation of two atomically flat surfaces consisting of different materials. Aluminum (Al) and titanium-nitride (TiN) slabs have been chosen as a model system representing the interaction between a soft and a hard material. The approaching and separation is simulated by moving one slab in discrete steps and allowing for electronic and ionic relaxations after each one. The simulations reveal the influences of different surface orientations ((001), (011), (111)) and alignments of the surfaces with respect to each other on the adhesion, equilibrium distance, charge distribution and material transfer between the surfaces. Material transfer is observed for configurations where the interface is stronger than the softer material.

Differential Electrochemical Conductance Imaging at the Nanoscale.

PubMed

López-Martínez, Montserrat; Artés, Juan Manuel; Sarasso, Veronica; Carminati, Marco; Díez-Pérez, Ismael; Sanz, Fausto; Gorostiza, Pau

2017-09-01

Electron transfer in proteins is essential in crucial biological processes. Although the fundamental aspects of biological electron transfer are well characterized, currently there are no experimental tools to determine the atomic-scale electronic pathways in redox proteins, and thus to fully understand their outstanding efficiency and environmental adaptability. This knowledge is also required to design and optimize biomolecular electronic devices. In order to measure the local conductance of an electrode surface immersed in an electrolyte, this study builds upon the current-potential spectroscopic capacity of electrochemical scanning tunneling microscopy, by adding an alternating current modulation technique. With this setup, spatially resolved, differential electrochemical conductance images under bipotentiostatic control are recorded. Differential electrochemical conductance imaging allows visualizing the reversible oxidation of an iron electrode in borate buffer and individual azurin proteins immobilized on atomically flat gold surfaces. In particular, this method reveals submolecular regions with high conductance within the protein. The direct observation of nanoscale conduction pathways in redox proteins and complexes enables important advances in biochemistry and bionanotechnology. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The impact of recent improvements in cryo-electron microscopy technology on the understanding of bacterial ribosome assembly

PubMed Central

Razi, Aida; Britton, Robert A.

2017-01-01

Abstract Cryo-electron microscopy (cryo-EM) had played a central role in the study of ribosome structure and the process of translation in bacteria since the development of this technique in the mid 1980s. Until recently cryo-EM structures were limited to ∼10 Å in the best cases. However, the recent advent of direct electron detectors has greatly improved the resolution of cryo-EM structures to the point where atomic resolution is now achievable. This improved resolution will allow cryo-EM to make groundbreaking contributions in essential aspects of ribosome biology, including the assembly process. In this review, we summarize important insights that cryo-EM, in combination with chemical and genetic approaches, has already brought to our current understanding of the ribosomal assembly process in bacteria using previous detector technology. More importantly, we discuss how the higher resolution structures now attainable with direct electron detectors can be leveraged to propose precise testable models regarding this process. These structures will provide an effective platform to develop new antibiotics that target this fundamental cellular process. PMID:28180306

Nonlinear breakup of liquid sheets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jazayeri, S.A.; Li, X.

1997-07-01

Sprays formed from the disintegration of liquid sheets have extensive practical applications, ranging from chemical and pharmaceutical processes to power generation and propulsion systems. A knowledge of the liquid sheet breakup process is essential to the understanding of fundamental mechanism of liquid atomization and spray formation processes. The breakup of liquid sheets has been investigated in terms of hydrodynamic stability via linear analysis by Squire, Hagerty and Shea, Li, etc. nonlinear effect has been studied by Clark and Dombrowski up to the second order, and by Rangel and Sirignano through numerical simulation employing vortex discretization method. As shown by Taubmore » for the breakup of circular liquid jets, the closer to the breakup region, the higher the order of nonlinear analysis has to be for adequate description of the breakup behavior. As pointed out by Bogy, a nonlinear analysis up to the third order is generally sufficient to account for the inherent nonlinear nature of the breakup process. Therefore, a third-order nonlinear analysis has been carried out in this study to investigate the process of liquid sheet disruption preceding the spray formation.« less

ACES MWL data analysis center at SYRTE

NASA Astrophysics Data System (ADS)

Meynadier, F.; Delva, P.; le Poncin-Lafitte, C.; Guerlin, C.; Laurent, P.; Wolf, P.

2017-12-01

The ACES-PHARAO mission aims at operating a cold-atom caesium clock on board the International Space Station, and performs two-way time transfer with ground terminals, in order to allow highly accurate and stable comparisons of its internal timescale with those found in various metrology institutes. Scientific goals in fundamental physics include tests of the gravitational redshift with unprecedented accuracy, and search for a violation of the Lorentz local invariance. As launch is coming closer we are getting ready to process the data expected to come from ACES Microwave Link (MWL) once on board the International Space Station. Several hurdles have been cleared in our software in the past months, as we managed to implement algorithms that reach target accuracy for ground/space desynchronisation measurement. I will present the current status of data analysis preparation, as well as the activities that will take place at SYRTE in order to set up its data processing center.

Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stone, John E.; Sener, Melih; Vandivort, Kirby L.

The cellular process responsible for providing energy for most life on Earth, namely, photosynthetic light-harvesting, requires the cooperation of hundreds of proteins across an organelle, involving length and time scales spanning several orders of magnitude over quantum and classical regimes. Simulation and visualization of this fundamental energy conversion process pose many unique methodological and computational challenges. In this paper, we present, in two accompanying movies, light-harvesting in the photosynthetic apparatus found in purple bacteria, the so-called chromatophore. The movies are the culmination of three decades of modeling efforts, featuring the collaboration of theoretical, experimental, and computational scientists. Finally, we describemore » the techniques that were used to build, simulate, analyze, and visualize the structures shown in the movies, and we highlight cases where scientific needs spurred the development of new parallel algorithms that efficiently harness GPU accelerators and petascale computers.« less

RETRACTED: Diagnosis of cervical cancer cell taken from scanning electron and atomic force microscope images of the same patients using discrete wavelet entropy energy and Jensen Shannon, Hellinger, Triangle Measure classifier

NASA Astrophysics Data System (ADS)

Aytac Korkmaz, Sevcan

2016-05-01

This article has been retracted: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy) This article has been retracted at the request of the Editors. After a thorough investigation, the Publisher has concluded that the Editor was misled into accepting this article based upon the positive advice of at least one suggested reviewer report. The report was submitted from an email account provided by the author, that was later determined not to be the email of the supposed expert reviewer. This manipulation of the peer-review process represents a clear violation of the fundamentals of peer review, our publishing policies, and publishing ethics standards. Apologies are offered to the reviewers whose identities were assumed and to the readers of the journal that this deception was not detected during the submission process.

Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling

NASA Astrophysics Data System (ADS)

Plattner, Nuria; Doerr, Stefan; de Fabritiis, Gianni; Noé, Frank

2017-10-01

Protein-protein association is fundamental to many life processes. However, a microscopic model describing the structures and kinetics during association and dissociation is lacking on account of the long lifetimes of associated states, which have prevented efficient sampling by direct molecular dynamics (MD) simulations. Here we demonstrate protein-protein association and dissociation in atomistic resolution for the ribonuclease barnase and its inhibitor barstar by combining adaptive high-throughput MD simulations and hidden Markov modelling. The model reveals experimentally consistent intermediate structures, energetics and kinetics on timescales from microseconds to hours. A variety of flexibly attached intermediates and misbound states funnel down to a transition state and a native basin consisting of the loosely bound near-native state and the tightly bound crystallographic state. These results offer a deeper level of insight into macromolecular recognition and our approach opens the door for understanding and manipulating a wide range of macromolecular association processes.

Timing is everything: Fine-tuned molecular machines orchestrate paramyxovirus entry

PubMed Central

Bose, Sayantan; Jardetzky, Theodore S.; Lamb, Robert A.

2015-01-01

The Paramyxoviridae include some of the great and ubiquitous disease-causing viruses of humans and animals. In most paramyxoviruses, two viral membrane glycoproteins, fusion protein (F) and receptor binding protein (HN, H or G) mediate a concerted process of recognition of host cell surface molecules followed by fusion of viral and cellular membranes, resulting in viral nucleocapsid entry into the cytoplasm. The interactions between the F and HN, H or G viral glycoproteins and host molecules are critical in determining host range, virulence and spread of these viruses. Recently, atomic structures, together with biochemical and biophysical studies, have provided major insights into how these two viral glycoproteins successfully interact with host receptors on cellular membranes and initiate the membrane fusion process to gain entry into cells. These studies highlight the conserved core mechanisms of paramyxovirus entry that provide the fundamental basis for rational anti-viral drug design and vaccine development. PMID:25771804

Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stone, John E.; Sener, Melih; Vandivort, Kirby L.

The cellular process responsible for providing energy for most life on Earth, namely, photosynthetic light-harvesting, requires the cooperation of hundreds of proteins across an organelle, involving length and time scales spanning several orders of magnitude over quantum and classical regimes. Simulation and visualization of this fundamental energy conversion process pose many unique methodological and computational challenges. We present, in two accompanying movies, light-harvesting in the photosynthetic apparatus found in purple bacteria, the so-called chromatophore. The movies are the culmination of three decades of modeling efforts, featuring the collaboration of theoretical, experimental, and computational scientists. We describe the techniques that weremore » used to build, simulate, analyze, and visualize the structures shown in the movies, and we highlight cases where scientific needs spurred the development of new parallel algorithms that efficiently harness GPU accelerators and petascale computers.« less

Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing

DOE PAGES

Stone, John E.; Sener, Melih; Vandivort, Kirby L.; ...

2015-12-12

The cellular process responsible for providing energy for most life on Earth, namely, photosynthetic light-harvesting, requires the cooperation of hundreds of proteins across an organelle, involving length and time scales spanning several orders of magnitude over quantum and classical regimes. Simulation and visualization of this fundamental energy conversion process pose many unique methodological and computational challenges. In this paper, we present, in two accompanying movies, light-harvesting in the photosynthetic apparatus found in purple bacteria, the so-called chromatophore. The movies are the culmination of three decades of modeling efforts, featuring the collaboration of theoretical, experimental, and computational scientists. Finally, we describemore » the techniques that were used to build, simulate, analyze, and visualize the structures shown in the movies, and we highlight cases where scientific needs spurred the development of new parallel algorithms that efficiently harness GPU accelerators and petascale computers.« less

Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation.

PubMed

Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro

2014-03-19

The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic properties. We find that the molecular liquid phase is unexpectedly stable, and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low-temperature atomization is, therefore, still far from experimental reach.

Frequency standards based on ultracold atoms in tests of general relativity, navigation and gravimetry

NASA Astrophysics Data System (ADS)

Khabarova, K. Yu.; Kudeyarov, K. S.; Kolachevsky, N. N.

2017-06-01

Research and development in the field of optical clocks based on ultracold atoms and ions have enabled the relative uncertainty in frequency to be reduced down to a few parts in 1018. The use of novel, precise frequency comparison methods opens up new possibilities for basic research (sensitive tests of general relativity, a search for a drift of fundamental constants and a search for ‘dark matter’) as well as for state-of-the-art navigation and gravimetry. We discuss the key methods that are used in creating precision clocks (including transportable clocks) based on ultracold atoms and ions and the feasibility of using them in resolving current relativistic gravimetry issues.

Recent trends in precision measurements of atomic and nuclear properties with lasers and ion traps

NASA Astrophysics Data System (ADS)

Block, Michael

2017-11-01

The X. international workshop on "Application of Lasers and Storage Devices in Atomic Nuclei Research" took place in Poznan in May 2016. It addressed the latest experimental and theoretical achievements in laser and ion trap-based investigations of radionuclides, highly charged ions and antiprotons. The precise determination of atomic and nuclear properties provides a stringent benchmark for theoretical models and eventually leads to a better understanding of the underlying fundamental interactions and symmetries. This article addresses some general trends in this field and highlights select recent achievements presented at the workshop. Many of these are covered in more detail within the individual contributions to this special issue of Hyperfine Interactions.

Tailoring optical metamaterials to tune the atom-surface Casimir-Polder interaction.

PubMed

Chan, Eng Aik; Aljunid, Syed Abdullah; Adamo, Giorgio; Laliotis, Athanasios; Ducloy, Martial; Wilkowski, David

2018-02-01

Metamaterials are fascinating tools that can structure not only surface plasmons and electromagnetic waves but also electromagnetic vacuum fluctuations. The possibility of shaping the quantum vacuum is a powerful concept that ultimately allows engineering the interaction between macroscopic surfaces and quantum emitters such as atoms, molecules, or quantum dots. The long-range atom-surface interaction, known as Casimir-Polder interaction, is of fundamental importance in quantum electrodynamics but also attracts a significant interest for platforms that interface atoms with nanophotonic devices. We perform a spectroscopic selective reflection measurement of the Casimir-Polder interaction between a Cs(6P 3/2 ) atom and a nanostructured metallic planar metamaterial. We show that by engineering the near-field plasmonic resonances of the metamaterial, we can successfully tune the Casimir-Polder interaction, demonstrating both a strong enhancement and reduction with respect to its nonresonant value. We also show an enhancement of the atomic spontaneous emission rate due to its coupling with the evanescent modes of the nanostructure. Probing excited-state atoms next to nontrivial tailored surfaces is a rigorous test of quantum electrodynamics. Engineering Casimir-Polder interactions represents a significant step toward atom trapping in the extreme near field, possibly without the use of external fields.

Mysterious Stoichiometry

ERIC Educational Resources Information Center

Bowman, L. H.; Shull, C. M.

1975-01-01

Describes an experiment designed to augment textual materials conducive to the inquiry approach to learning. The experiment is the culminating experience in a series designed to illustrate the fundamental nature of the atom: its quantized energy nature, its electrical nature, and its combining ability. (Author/GS)

Elementary Particles and Forces.

ERIC Educational Resources Information Center

Quigg, Chris

1985-01-01

Discusses subatomic particles (quarks, leptons, and others) revealed by higher accelerator energies. A connection between forces at this subatomic level has been established, and prospects are good for a description of forces that encompass binding atomic nuclei. Colors, fundamental interactions, screening, camouflage, electroweak symmetry, and…

Proceedings of the International Workshop on Low Energy Muon Science: LEMS`93

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leon, M.

1994-01-01

This report contains papers on research with low energy muons. Topics cover fundamental electroweak physics; muonic atoms and molecules, and muon catalyzed fusion; muon spin research; and muon facilities. These papers have been indexed and cataloged separately.

Cooling Atomic Gases With Disorder

DOE PAGES

Paiva, Thereza; Khatami, Ehsan; Yang, Shuxiang; ...

2015-12-10

Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing, and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. Here in this paper, we propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a nondisordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approachmore » the Néel temperature of the three-dimensional Hubbard model for experimentally achievable parameters. Recent experimental estimates suggest the randomness required lies in a regime where atom transport and equilibration are still robust.« less

Realistic loophole-free Bell test with atom-photon entanglement

NASA Astrophysics Data System (ADS)

Teo, C.; Araújo, M.; Quintino, M. T.; Minář, J.; Cavalcanti, D.; Scarani, V.; Terra Cunha, M.; França Santos, M.

2013-07-01

The establishment of nonlocal correlations, guaranteed through the violation of a Bell inequality, is not only important from a fundamental point of view but constitutes the basis for device-independent quantum information technologies. Although several nonlocality tests have been conducted so far, all of them suffered from either locality or detection loopholes. Among the proposals for overcoming these problems are the use of atom-photon entanglement and hybrid photonic measurements (for example, photodetection and homodyning). Recent studies have suggested that the use of atom-photon entanglement can lead to Bell inequality violations with moderate transmission and detection efficiencies. Here we combine these ideas and propose an experimental setup realizing a simple atom-photon entangled state that can be used to obtain nonlocality when considering realistic experimental parameters including detection efficiencies and losses due to required propagation distances.

Understanding the Cu-Zn brass alloys using a short-range-order cluster model: significance of specific compositions of industrial alloys

PubMed Central

Hong, H. L.; Wang, Q.; Dong, C.; Liaw, Peter K.

2014-01-01

Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn α-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1~6 and [Zn-Cu12](Zn,Cu)6, which explain the α-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and each cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, thus offering a fundamental and practical method towards composition interpretations of all kinds of alloys. PMID:25399835

Understanding the Cu-Zn brass alloys using a short-range-order cluster model: Significance of specific compositions of industrial alloys

DOE PAGES

Hong, H. L.; Wang, Q.; Dong, C.; ...

2014-11-17

Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn α-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu 12]Zn 1~6 and [Zn-Cu 12](Zn,Cu) 6, which explain the α-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent themore » 1 st-neighbor cluster, and each cluster is matched with one to six 2 nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1 st- and 2 nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. As a result, the revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, thus offering a fundamental and practical method towards composition interpretations of all kinds of alloys.« less

Quasi-phase-matching of the dual-band nonlinear left-handed metamaterial

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Yahong, E-mail: yhliu@nwpu.edu.cn; Song, Kun; Gu, Shuai

2014-11-17

We demonstrate a type of nonlinear meta-atom creating a dual-band nonlinear left-handed metamaterial (DNLHM). The DNLHM operates at two distinct left-handed frequency bands where there is an interval of one octave between the two center frequencies. Under the illumination of a high-power signal at the first left-handed frequency band corresponding to fundamental frequency (FF), second-harmonic generation (SHG) is observed at the second left-handed band. This means that our DNLHM supports backward-propagating waves both at FF and second-harmonic (SH) frequency. We also experimentally demonstrate quasi-phase-matching configurations for the backward SHG. This fancy parametric process can significantly transmits the SH generated bymore » an incident FF wave.« less

Chemistry and physics of a single atomic layer: strategies and challenges for functionalization of graphene and graphene-based materials.

PubMed

Yan, Liang; Zheng, Yue Bing; Zhao, Feng; Li, Shoujian; Gao, Xingfa; Xu, Bingqian; Weiss, Paul S; Zhao, Yuliang

2012-01-07

Graphene has attracted great interest for its superior physical, chemical, mechanical, and electrical properties that enable a wide range of applications from electronics to nanoelectromechanical systems. Functionalization is among the significant vectors that drive graphene towards technological applications. While the physical properties of graphene have been at the center of attention, we still lack the knowledge framework for targeted graphene functionalization. In this critical review, we describe some of the important chemical and physical processes for graphene functionalization. We also identify six major challenges in graphene research and give perspectives and practical strategies for both fundamental studies and applications of graphene (315 references). This journal is © The Royal Society of Chemistry 2012

Investigating Protein-Ligand Interactions by Solution Nuclear Magnetic Resonance Spectroscopy.

PubMed

Becker, Walter; Bhattiprolu, Krishna Chaitanya; Gubensäk, Nina; Zangger, Klaus

2018-04-17

Protein-ligand interactions are of fundamental importance in almost all processes in living organisms. The ligands comprise small molecules, drugs or biological macromolecules and their interaction strength varies over several orders of magnitude. Solution NMR spectroscopy offers a large repertoire of techniques to study such complexes. Here, we give an overview of the different NMR approaches available. The information they provide ranges from the simple information about the presence of binding or epitope mapping to the complete 3 D structure of the complex. NMR spectroscopy is particularly useful for the study of weak interactions and for the screening of binding ligands with atomic resolution. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Work of the Tamm-Sakharov group on the first hydrogen bomb

NASA Astrophysics Data System (ADS)

Ritus, V. I.

2014-09-01

This review is an extended version of a report delivered at a session of the Department of Physical Sciences, the Department of Energetics, Mechanical Engineering, Mechanics, and Control Processes, and the Coordination Council on Technical Sciences of the RAS devoted to the 60th anniversary of the first hydrogen bomb test. The significant physical ideas suggested by A D Sakharov and V L Ginzburg underlying our first hydrogen bomb, RDS-6s, and numerous concrete problems and difficulties that had to be solved and overcome in designing thermonuclear weapons are presented. The understanding of the country's leaders and the Atomic Project managers of the exceptional role of fundamental science in the appearance and implementation of our scientists' concrete ideas and suggestions is emphasized.

Reorganization energy upon charging a single molecule on an insulator measured by atomic force microscopy

NASA Astrophysics Data System (ADS)

Fatayer, Shadi; Schuler, Bruno; Steurer, Wolfram; Scivetti, Ivan; Repp, Jascha; Gross, Leo; Persson, Mats; Meyer, Gerhard

2018-05-01

Intermolecular single-electron transfer on electrically insulating films is a key process in molecular electronics1-4 and an important example of a redox reaction5,6. Electron-transfer rates in molecular systems depend on a few fundamental parameters, such as interadsorbate distance, temperature and, in particular, the Marcus reorganization energy7. This crucial parameter is the energy gain that results from the distortion of the equilibrium nuclear geometry in the molecule and its environment on charging8,9. The substrate, especially ionic films10, can have an important influence on the reorganization energy11,12. Reorganization energies are measured in electrochemistry13 as well as with optical14,15 and photoemission spectroscopies16,17, but not at the single-molecule limit and nor on insulating surfaces. Atomic force microscopy (AFM), with single-charge sensitivity18-22, atomic-scale spatial resolution20 and operable on insulating films, overcomes these challenges. Here, we investigate redox reactions of single naphthalocyanine (NPc) molecules on multilayered NaCl films. Employing the atomic force microscope as an ultralow current meter allows us to measure the differential conductance related to transitions between two charge states in both directions. Thereby, the reorganization energy of NPc on NaCl is determined as (0.8 ± 0.2) eV, and density functional theory (DFT) calculations provide the atomistic picture of the nuclear relaxations on charging. Our approach presents a route to perform tunnelling spectroscopy of single adsorbates on insulating substrates and provides insight into single-electron intermolecular transport.

Opportunities for Laboratory Opacity Chemistry Studies to Facilitate Characterization of Young Giant Planets and Brown Dwarfs

NASA Technical Reports Server (NTRS)

Marley, Mark; Freedman, Richard S.

2015-01-01

The thermal emission spectra of young giant planets is shaped by the opacity of atoms and molecules residing in their atmospheres. While great strides have been made in improving the opacities of important molecules, particularly NH3 and CH4, at high temperatures, much more work is needed to understand the opacity and chemistry of atomic Na and K. The highly pressure broadened fundamental band of Na and K in the optical stretches into the near-infrared, strongly influencing the shape of the Y and K spectral bands. Since young giant planets are bright in these bands it is important to understand the influences on the spectral shape. Discerning gravity and atmospheric composition is difficult, if not impossible, without both good atomic opacities as well as an excellent understanding of the relevant atmospheric chemistry. Since Na and K condense at temperatures near 500 to 600 K, the chemistry of the condensation process must be well understood as well, particularly any disequilibrium chemical pathways. Comparisons of the current generation of sophisticated atmospheric models and available data, however, reveal important shortcomings in the models. We will review the current state of observations and theory of young giant planets and will discuss these and other specific examples where improved laboratory measurements for alkali compounds have the potential of substantially improving our understanding of these atmospheres.

Atomic Force Microscopy: A Powerful Tool to Address Scaffold Design in Tissue Engineering.

PubMed

Marrese, Marica; Guarino, Vincenzo; Ambrosio, Luigi

2017-02-13

Functional polymers currently represent a basic component of a large range of biological and biomedical applications including molecular release, tissue engineering, bio-sensing and medical imaging. Advancements in these fields are driven by the use of a wide set of biodegradable polymers with controlled physical and bio-interactive properties. In this context, microscopy techniques such as Atomic Force Microscopy (AFM) are emerging as fundamental tools to deeply investigate morphology and structural properties at micro and sub-micrometric scale, in order to evaluate the in time relationship between physicochemical properties of biomaterials and biological response. In particular, AFM is not only a mere tool for screening surface topography, but may offer a significant contribution to understand surface and interface properties, thus concurring to the optimization of biomaterials performance, processes, physical and chemical properties at the micro and nanoscale. This is possible by capitalizing the recent discoveries in nanotechnologies applied to soft matter such as atomic force spectroscopy to measure surface forces through force curves. By tip-sample local interactions, several information can be collected such as elasticity, viscoelasticity, surface charge densities and wettability. This paper overviews recent developments in AFM technology and imaging techniques by remarking differences in operational modes, the implementation of advanced tools and their current application in biomaterials science, in terms of characterization of polymeric devices in different forms (i.e., fibres, films or particles).

Negative Binomial Process Count and Mixture Modeling.

PubMed

Zhou, Mingyuan; Carin, Lawrence

2015-02-01

The seemingly disjoint problems of count and mixture modeling are united under the negative binomial (NB) process. A gamma process is employed to model the rate measure of a Poisson process, whose normalization provides a random probability measure for mixture modeling and whose marginalization leads to an NB process for count modeling. A draw from the NB process consists of a Poisson distributed finite number of distinct atoms, each of which is associated with a logarithmic distributed number of data samples. We reveal relationships between various count- and mixture-modeling distributions and construct a Poisson-logarithmic bivariate distribution that connects the NB and Chinese restaurant table distributions. Fundamental properties of the models are developed, and we derive efficient Bayesian inference. It is shown that with augmentation and normalization, the NB process and gamma-NB process can be reduced to the Dirichlet process and hierarchical Dirichlet process, respectively. These relationships highlight theoretical, structural, and computational advantages of the NB process. A variety of NB processes, including the beta-geometric, beta-NB, marked-beta-NB, marked-gamma-NB and zero-inflated-NB processes, with distinct sharing mechanisms, are also constructed. These models are applied to topic modeling, with connections made to existing algorithms under Poisson factor analysis. Example results show the importance of inferring both the NB dispersion and probability parameters.

DHS Internship Summary-Crystal Assembly at Different Length Scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mishchenko, L

2009-08-06

I was part of a project in which in situ atomic force microscopy (AFM) was used to monitor growth and dissolution of atomic and colloidal crystals. At both length scales, the chemical environment of the system greatly altered crystal growth and dissolution. Calcium phosphate was used as a model system for atomic crystals. A dissolution-reprecipitation reaction was observed in this first system, involving the conversion of brushite (DCPD) to octacalcium phosphate (OCP). In the second system, polymeric colloidal crystals were dissolved in an ionic solvent, revealing the underlying structure of the crystal. The dissolved crystal was then regrown through anmore » evaporative step method. Recently, we have also found that colloids can be reversibly deposited in situ onto an ITO (indium tin oxide) substrate via an electrochemistry setup. The overall goal of this project was to develop an understanding of the mechanisms that control crystallization and order, so that these might be controlled during material synthesis. Controlled assembly of materials over a range of length scales from molecules to nanoparticles to colloids is critical for designing new materials. In particular, developing materials for sensor applications with tailorable properties and long range order is important. In this work, we examine two of these length scales: small molecule crystallization of calcium phosphate (whose crystal phases include DCPD, OCP, and HAP) and colloidal crystallization of Poly(methyl methacrylate) beads. Atomic Force Microscopy is ideal for this line of work because it allows for the possibility of observing non-conducting samples in fluid during growth with high resolution ({approx} 10 nm). In fact, during atomic crystal growth one can observe changes in atomic steps, and with colloidal crystals, one can monitor the individual building blocks of the crystal. Colloids and atoms crystallize under the influence of different forces acting at different length scales as seen in Table 1. In particular, molecular crystals, which are typically dominated by ionic and covalent bonding, are an order of magnitude more strongly bonded than colloidal crystals. In molecular crystals, ordering is driven by the interaction potentials between molecules. By contrast, colloidal assembly is a competition between the repulsive electrostatic forces that prevent aggregation in solution (due to surface charge), and short-range van der Waals and entropic forces that leads to ordering. Understanding atomic crystallization is fundamentally important for fabrication of tailorable crystalline materials, for example for biological or chemical sensors. The transformation of brushite to OCP not only serves as a model system for atomic crystal growth (applicable to many other crystal growth processes), but is also important in bone cements. Colloidal crystals have unique optical properties which respond to chemical and mechanical stimuli, making them very important for sensing applications. The mechanism of colloidal crystal assembly is thus fundamentally important. Our in situ dissolution and regrowth experiments are one good method of analyzing how these crystals pack under different conditions and how defect sites are formed and filled. In these experiments, a silica additive was used to strengthen the colloidal crystal during initial assembly (ex situ) and to increase domain size and long range order. Reversible electrodeposition of colloids onto a conductive substrate (ITO in our case) is another system which can further our knowledge of colloidal assembly. This experiment holds promise of allowing in situ observation of colloidal crystal growth and the influence of certain additives on crystal order. The ultimate goal would be to achieve long range order in these crystals by changing the surface charge or the growth environment.« less

Observation of the hyperfine spectrum of antihydrogen.

PubMed

Ahmadi, M; Alves, B X R; Baker, C J; Bertsche, W; Butler, E; Capra, A; Carruth, C; Cesar, C L; Charlton, M; Cohen, S; Collister, R; Eriksson, S; Evans, A; Evetts, N; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Isaac, C A; Ishida, A; Johnson, M A; Jones, S A; Jonsell, S; Kurchaninov, L; Madsen, N; Mathers, M; Maxwell, D; McKenna, J T K; Menary, S; Michan, J M; Momose, T; Munich, J J; Nolan, P; Olchanski, K; Olin, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sacramento, R L; Sameed, M; Sarid, E; Silveira, D M; Stracka, S; Stutter, G; So, C; Tharp, T D; Thompson, J E; Thompson, R I; van der Werf, D P; Wurtele, J S

2017-08-02

The observation of hyperfine structure in atomic hydrogen by Rabi and co-workers and the measurement of the zero-field ground-state splitting at the level of seven parts in 10 13 are important achievements of mid-twentieth-century physics. The work that led to these achievements also provided the first evidence for the anomalous magnetic moment of the electron, inspired Schwinger's relativistic theory of quantum electrodynamics and gave rise to the hydrogen maser, which is a critical component of modern navigation, geo-positioning and very-long-baseline interferometry systems. Research at the Antiproton Decelerator at CERN by the ALPHA collaboration extends these enquiries into the antimatter sector. Recently, tools have been developed that enable studies of the hyperfine structure of antihydrogen-the antimatter counterpart of hydrogen. The goal of such studies is to search for any differences that might exist between this archetypal pair of atoms, and thereby to test the fundamental principles on which quantum field theory is constructed. Magnetic trapping of antihydrogen atoms provides a means of studying them by combining electromagnetic interaction with detection techniques that are unique to antimatter. Here we report the results of a microwave spectroscopy experiment in which we probe the response of antihydrogen over a controlled range of frequencies. The data reveal clear and distinct signatures of two allowed transitions, from which we obtain a direct, magnetic-field-independent measurement of the hyperfine splitting. From a set of trials involving 194 detected atoms, we determine a splitting of 1,420.4 ± 0.5 megahertz, consistent with expectations for atomic hydrogen at the level of four parts in 10 4 . This observation of the detailed behaviour of a quantum transition in an atom of antihydrogen exemplifies tests of fundamental symmetries such as charge-parity-time in antimatter, and the techniques developed here will enable more-precise such tests.

Observation of the hyperfine spectrum of antihydrogen

NASA Astrophysics Data System (ADS)

Ahmadi, M.; Alves, B. X. R.; Baker, C. J.; Bertsche, W.; Butler, E.; Capra, A.; Carruth, C.; Cesar, C. L.; Charlton, M.; Cohen, S.; Collister, R.; Eriksson, S.; Evans, A.; Evetts, N.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayden, M. E.; Isaac, C. A.; Ishida, A.; Johnson, M. A.; Jones, S. A.; Jonsell, S.; Kurchaninov, L.; Madsen, N.; Mathers, M.; Maxwell, D.; McKenna, J. T. K.; Menary, S.; Michan, J. M.; Momose, T.; Munich, J. J.; Nolan, P.; Olchanski, K.; Olin, A.; Pusa, P.; Rasmussen, C. Ø.; Robicheaux, F.; Sacramento, R. L.; Sameed, M.; Sarid, E.; Silveira, D. M.; Stracka, S.; Stutter, G.; So, C.; Tharp, T. D.; Thompson, J. E.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.

2017-08-01

The observation of hyperfine structure in atomic hydrogen by Rabi and co-workers and the measurement of the zero-field ground-state splitting at the level of seven parts in 1013 are important achievements of mid-twentieth-century physics. The work that led to these achievements also provided the first evidence for the anomalous magnetic moment of the electron, inspired Schwinger’s relativistic theory of quantum electrodynamics and gave rise to the hydrogen maser, which is a critical component of modern navigation, geo-positioning and very-long-baseline interferometry systems. Research at the Antiproton Decelerator at CERN by the ALPHA collaboration extends these enquiries into the antimatter sector. Recently, tools have been developed that enable studies of the hyperfine structure of antihydrogen—the antimatter counterpart of hydrogen. The goal of such studies is to search for any differences that might exist between this archetypal pair of atoms, and thereby to test the fundamental principles on which quantum field theory is constructed. Magnetic trapping of antihydrogen atoms provides a means of studying them by combining electromagnetic interaction with detection techniques that are unique to antimatter. Here we report the results of a microwave spectroscopy experiment in which we probe the response of antihydrogen over a controlled range of frequencies. The data reveal clear and distinct signatures of two allowed transitions, from which we obtain a direct, magnetic-field-independent measurement of the hyperfine splitting. From a set of trials involving 194 detected atoms, we determine a splitting of 1,420.4 ± 0.5 megahertz, consistent with expectations for atomic hydrogen at the level of four parts in 104. This observation of the detailed behaviour of a quantum transition in an atom of antihydrogen exemplifies tests of fundamental symmetries such as charge-parity-time in antimatter, and the techniques developed here will enable more-precise such tests.

Fundamentals of Atom Transfer Radical Polymerization

ERIC Educational Resources Information Center

Coessens, Veerle M. C.; Matyjaszewski, Krzysztof

2010-01-01

Today's market increasingly demands sophisticated materials for advanced technologies and high-value applications, such as nanocomposites, optoelectronic, or biomedical materials. Therefore, the demand for well-defined polymers with very specific molecular architecture and properties increases. Until recently, these kinds of polymers could only be…

Atomtronics: Material and Device Physics of Quantum Gases

DTIC Science & Technology

matter physics to electrical engineering. Our projects title Atomtronics: Material and device physics of quantum gases illustrates the chasm we bridged...starting from therich and fundamental physics already revealed with cold atoms systems, then leading to an understanding of the functional materials

Method for enhanced atomization of liquids

DOEpatents

Thompson, Richard E.; White, Jerome R.

1993-01-01

In a process for atomizing a slurry or liquid process stream in which a slurry or liquid is passed through a nozzle to provide a primary atomized process stream, an improvement which comprises subjecting the liquid or slurry process stream to microwave energy as the liquid or slurry process stream exits the nozzle, wherein sufficient microwave heating is provided to flash vaporize the primary atomized process stream.

Fenton chemistry at aqueous interfaces

PubMed Central

Enami, Shinichi; Sakamoto, Yosuke; Colussi, Agustín J.

2014-01-01

In a fundamental process throughout nature, reduced iron unleashes the oxidative power of hydrogen peroxide into reactive intermediates. However, notwithstanding much work, the mechanism by which Fe2+ catalyzes H2O2 oxidations and the identity of the participating intermediates remain controversial. Here we report the prompt formation of O=FeIVCl3− and chloride-bridged di-iron O=FeIV·Cl·FeIICl4− and O=FeIV·Cl·FeIIICl5− ferryl species, in addition to FeIIICl4−, on the surface of aqueous FeCl2 microjets exposed to gaseous H2O2 or O3 beams for <50 μs. The unambiguous identification of such species in situ via online electrospray mass spectrometry let us investigate their individual dependences on Fe2+, H2O2, O3, and H+ concentrations, and their responses to tert-butanol (an ·OH scavenger) and DMSO (an O-atom acceptor) cosolutes. We found that (i) mass spectra are not affected by excess tert-butanol, i.e., the detected species are primary products whose formation does not involve ·OH radicals, and (ii) the di-iron ferryls, but not O=FeIVCl3−, can be fully quenched by DMSO under present conditions. We infer that interfacial Fe(H2O)n2+ ions react with H2O2 and O3 >103 times faster than Fe(H2O)62+ in bulk water via a process that favors inner-sphere two-electron O-atom over outer-sphere one-electron transfers. The higher reactivity of di-iron ferryls vs. O=FeIVCl3− as O-atom donors implicates the electronic coupling of mixed-valence iron centers in the weakening of the FeIV–O bond in poly-iron ferryl species. PMID:24379389

EDITORIAL: Three decades of scanning tunnelling microscopy that changed the course of surface science Three decades of scanning tunnelling microscopy that changed the course of surface science

NASA Astrophysics Data System (ADS)

Ramachandra Rao, M. S.; Margaritondo, Giorgio

2011-11-01

Three decades ago, with a tiny tip of platinum, the scientific world saw the real space imaging of single atoms with unprecedented spatial resolution. This signalled the birth of one of the most versatile surface probes, based on the physics of quantum mechanical tunnelling: the scanning tunnelling microscope (STM). Invented in 1981 by Gerd Binnig and Heinrich Rohrer of IBM, Zurich, it led to their award of the 1986 Nobel Prize. Atoms, once speculated to be abstract entities used by theoreticians for mere calculations, can be seen to exist for real with the nano-eye of an STM tip that also gives real-space images of molecules and adsorbed complexes on surfaces. From a very fundamental perspective, the STM changed the course of surface science and engineering. STM also emerged as a powerful tool to study various fundamental phenomena relevant to the properties of surfaces in technological applications such as tribology, medical implants, catalysis, sensors and biology—besides elucidating the importance of local bonding geometries and defects, non-periodic structures and the co-existence of nano-scale phases. Atom-level probing, once considered a dream, has seen the light with the evolution of STM. An important off-shoot of STM was the atomic force microscope (AFM) for surface mapping of insulating samples. Then followed the development of a flurry of techniques under the general name of scanning probe microscopy (SPM). These techniques (STM, AFM, MFM, PFM etc) designed for atomic-scale-resolution imaging and spectroscopy, have led to brand new developments in surface analysis. All of these novel methods enabled researchers in recent years to image and analyse complex surfaces on microscopic and nanoscopic scales. All of them utilize a small probe for sensing the surface. The invention of AFM by Gerd Binnig, Calvin Quate and Christopher Gerber opened up new opportunities for characterization of a variety of materials, and various industrial applications could be envisaged. AFM observations of thin-film surfaces give us a picture of surface topography and morphology and any visible defects. The growing importance of ultra-thin films for magnetic recording in hard disk drive systems requires an in-depth understanding of the fundamental mechanisms occurring during growth. This special issue of Journal of Physics D: Applied Physics covers all of the different aspects of SPM that illustrate the achievements of this methodology: nanoscale imaging and mapping (Chiang, and Douillard and Charra), piezoresponse force microscopy (Soergel) and STM engineering (Okuyama and Hamada, and Huang et al). Chiang takes the reader on a journey along the STM imaging of atoms and molecules on surfaces. Jesse and Kalinin explore the band excitations that occur during the corresponding processes. Jia et al propose STM and molecular beam epitaxy as a winning experimental combination at the interface of science and technology. Douillard and Charra describe the high-resolution mapping of plasmonic modes using photoemission and scanning tunnelling microscopy. Cricenti et al demonstrate the importance of SPM in material science and biology. Wiebe et al have probed atomic scale magnetism, revealed by spin polarized scanning tunnelling microscopy. In addition, Simon et al present Fourier transform scanning tunnelling spectroscopy and the possibility to obtain constant energy maps and band dispersion using local measurements. Lackinger and Heckl give a perspective of the use of STM to study covalent intermolecular coupling reactions on surfaces. Okuyama and Hamada investigated hydrogen bond imaging and engineering with STM. Soergel describes the study of substrate-dependent self-assembled CuPc molecules using piezo force microscope (PFM). We are very grateful to the authors and reviewers for the papers in this special issue of Journal of Physics D: Applied Physics. Their contributions have provided a comprehensive picture of the evolution, status and potential of scanning probe microscopy, conveying to the readers the full excitement of this forefront domain of physics.

Determination of the atomic density of rubidium-87

NASA Astrophysics Data System (ADS)

Zhao, Meng; Zhang, Kai; Chen, Li-Qing

2015-09-01

Atomic density is a basic and important parameter in quantum optics, nonlinear optics, and precision measurement. In the past few decades, several methods have been used to measure atomic density, such as thermionic effect, optical absorption, and resonance fluorescence. The main error of these experiments stemmed from depopulation of the energy level, self-absorption, and the broad bandwidth of the laser. Here we demonstrate the atomic density of 87Rb vapor in paraffin coated cell between 297 K and 334 K mainly using fluorescence measurement. Optical pumping, anti-relaxation coating, and absorption compensation approaches are used to decrease measurement error. These measurement methods are suitable for vapor temperature at dozens of degrees. The fitting function for the experimental data of 87Rb atomic density is given. Project supported by the Natural Science Foundation of China (Grant Nos. 11274118 and 11474095), the Innovation Program of Shanghai Municipal Education Commission of China (Grant No. 13ZZ036), and the Fundamental Research Funds for the Central Universities of China.

Polarized electron beams elastically scattered by atoms as a tool for testing fundamental predictions of quantum mechanics.

PubMed

Dapor, Maurizio

2018-03-29

Quantum information theory deals with quantum noise in order to protect physical quantum bits (qubits) from its effects. A single electron is an emblematic example of a qubit, and today it is possible to experimentally produce polarized ensembles of electrons. In this paper, the theory of the polarization of electron beams elastically scattered by atoms is briefly summarized. Then the POLARe program suite, a set of computer programs aimed at the calculation of the spin-polarization parameters of electron beams elastically interacting with atomic targets, is described. Selected results of the program concerning Ar, Kr, and Xe atoms are presented together with the comparison with experimental data about the Sherman function for low kinetic energy of the incident electrons (1.5eV-350eV). It is demonstrated that the quantum-relativistic theory of the polarization of electron beams elastically scattered by atoms is in good agreement with experimental data down to energies smaller than a few eV.

Photon-Mediated Quantum Gate between Two Neutral Atoms in an Optical Cavity

NASA Astrophysics Data System (ADS)

Welte, Stephan; Hacker, Bastian; Daiss, Severin; Ritter, Stephan; Rempe, Gerhard

2018-02-01

Quantum logic gates are fundamental building blocks of quantum computers. Their integration into quantum networks requires strong qubit coupling to network channels, as can be realized with neutral atoms and optical photons in cavity quantum electrodynamics. Here we demonstrate that the long-range interaction mediated by a flying photon performs a gate between two stationary atoms inside an optical cavity from which the photon is reflected. This single step executes the gate in 2 μ s . We show an entangling operation between the two atoms by generating a Bell state with 76(2)% fidelity. The gate also operates as a cnot. We demonstrate 74.1(1.6)% overlap between the observed and the ideal gate output, limited by the state preparation fidelity of 80.2(0.8)%. As the atoms are efficiently connected to a photonic channel, our gate paves the way towards quantum networking with multiqubit nodes and the distribution of entanglement in repeater-based long-distance quantum networks.

Spatial Multiplexing of Atom-Photon Entanglement Sources using Feedforward Control and Switching Networks.

PubMed

Tian, Long; Xu, Zhongxiao; Chen, Lirong; Ge, Wei; Yuan, Haoxiang; Wen, Yafei; Wang, Shengzhi; Li, Shujing; Wang, Hai

2017-09-29

The light-matter quantum interface that can create quantum correlations or entanglement between a photon and one atomic collective excitation is a fundamental building block for a quantum repeater. The intrinsic limit is that the probability of preparing such nonclassical atom-photon correlations has to be kept low in order to suppress multiexcitation. To enhance this probability without introducing multiexcitation errors, a promising scheme is to apply multimode memories to the interface. Significant progress has been made in temporal, spectral, and spatial multiplexing memories, but the enhanced probability for generating the entangled atom-photon pair has not been experimentally realized. Here, by using six spin-wave-photon entanglement sources, a switching network, and feedforward control, we build a multiplexed light-matter interface and then demonstrate a ∼sixfold (∼fourfold) probability increase in generating entangled atom-photon (photon-photon) pairs. The measured compositive Bell parameter for the multiplexed interface is 2.49±0.03 combined with a memory lifetime of up to ∼51  μs.

Atomic Gravitational Wave Interferometric Sensors (AGIS) in Space

NASA Astrophysics Data System (ADS)

Sugarbaker, Alex; Hogan, Jason; Johnson, David; Dickerson, Susannah; Kovachy, Tim; Chiow, Sheng-Wey; Kasevich, Mark

2012-06-01

Atom interferometers have the potential to make sensitive gravitational wave detectors, which would reinforce our fundamental understanding of gravity and provide a new means of observing the universe. We focus here on the AGIS-LEO proposal [1]. Gravitational waves can be observed by comparing a pair of atom interferometers separated over an extended baseline. The mission would offer a strain sensitivity that would provide access to a rich scientific region with substantial discovery potential. This band is not currently addressed with the LIGO or LISA instruments. We analyze systematic backgrounds that are relevant to the mission and discuss how they can be mitigated at the required levels. Some of these effects do not appear to have been considered previously in the context of atom interferometry, and we therefore expect that our analysis will be broadly relevant to atom interferometric precision measurements. Many of the techniques relevant to an AGIS mission can be investigated in the Stanford 10-m drop tower.[4pt] [1] J.M. Hogan, et al., Gen. Rel. Grav. 43, 1953-2009 (2011).

Molecular dynamics simulation investigations of atomic-scale wear

NASA Astrophysics Data System (ADS)

Shao, Yuchong; Falk, Michael

2013-03-01

Frictional running-in and material transfer in wear take place at the micro- and nano-scale but the fundamental physics remain poorly understood. Here we intend to investigate wear and running-in phenomena in silicon based materials, which are widely utilized in micro/nano electromechanical systems(MEMS/NEMS). We use an atomic force microscopy (AFM) model composed of a crystalline silicon tip and substrate coated with native oxide layers. Molecular dynamics simulation has been performed over a range of temperatures, external loads and slip rates. Results show that adhesive wear takes place across the interface in an atom-by-atom fashion which remodels the tip leading to a final steady state. We quantify the rate of material transfer as a function of the coverage of non-bridging oxygen (NBO) atoms, which has a pronounced change of the system's tribological and wear behaviors. A constitutive rate and state model is proposed to predict the evolution of frictional strength and wear. This work is supported by the National Science Foundation under Award No. 0926111.

Atomic research

NASA Technical Reports Server (NTRS)

Hadaway, James B.; Connatser, Robert; Cothren, Bobby; Johnson, R. B.

1993-01-01

Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

Quantum synchronization and the no-photon laser

NASA Astrophysics Data System (ADS)

Holland, Murray

2014-03-01

This talk will present a new approach to lasers that is based on the quantum synchronization of many atoms. Such lasers are predicted to produce light of unprecedented spectral purity and coherence, some two orders of magnitude better than any system available today. The idea is based on superradiant emission, where an ensemble of atoms with an extremely narrow atomic transition can phase-lock and form a macroscopic dipole that radiates light collectively. This is quite unlike a typical laser where atoms essentially act independently. The resulting light source is expected to have a spectral linewidth of just a few millihertz and could lead to more accurate and stable atomic clocks. Atomic clocks based on optical transitions have improved tremendously in recent years, giving clocks that tick 1015 times per second, and can have a fractional stability exceeding one part in 1016. This new sharper light source aims to push the frontier even further, so that fundamental tests of physics, such as the time variation of constants and tests of gravity, might even be possible. We acknowledge support from NSF and the DARPA QuASAR program.

Fundamentals of lateral and vertical heterojunctions of atomically thin materials.

PubMed

Pant, Anupum; Mutlu, Zafer; Wickramaratne, Darshana; Cai, Hui; Lake, Roger K; Ozkan, Cengiz; Tongay, Sefaattin

2016-02-21

At the turn of this century, Herbert Kroemer, the 2000 Nobel Prize winner in Physics, famously commented that "the interface is the device". This statement has since opened up unparalleled opportunities at the interface of conventional three-dimensional (3D) materials (H. Kroemer, Quasi-Electric and Quasi-Magnetic Fields in Non-Uniform Semiconductors, RCA Rev., 1957, 18, 332-342). More than a decade later, Sir Andre Geim and Irina Grigorieva presented their views on 2D heterojunctions which further cultivated broad interests in the 2D materials field. Currently, advances in two-dimensional (2D) materials enable us to deposit layered materials that are only one or few unit-cells in thickness to construct sharp in-plane and out-of-plane interfaces between dissimilar materials, and to be able to fabricate novel devices using these cutting-edge techniques. The interface alone, which traditionally dominated overall device performance, thus has now become the device itself. Fueled by recent progress in atomically thin materials, we are now at the ultimate limit of interface physics, which brings to us new and exciting opportunities, with equally demanding challenges. This paper endeavors to provide stalwarts and newcomers a perspective on recent advances in synthesis, fundamentals, applications, and future prospects of a large variety of heterojunctions of atomically thin materials.

Phenomenological modeling of nonlinear holograms based on metallic geometric metasurfaces.

PubMed

Ye, Weimin; Li, Xin; Liu, Juan; Zhang, Shuang

2016-10-31

Benefiting from efficient local phase and amplitude control at the subwavelength scale, metasurfaces offer a new platform for computer generated holography with high spatial resolution. Three-dimensional and high efficient holograms have been realized by metasurfaces constituted by subwavelength meta-atoms with spatially varying geometries or orientations. Metasurfaces have been recently extended to the nonlinear optical regime to generate holographic images in harmonic generation waves. Thus far, there has been no vector field simulation of nonlinear metasurface holograms because of the tremendous computational challenge in numerically calculating the collective nonlinear responses of the large number of different subwavelength meta-atoms in a hologram. Here, we propose a general phenomenological method to model nonlinear metasurface holograms based on the assumption that every meta-atom could be described by a localized nonlinear polarizability tensor. Applied to geometric nonlinear metasurfaces, we numerically model the holographic images formed by the second-harmonic waves of different spins. We show that, in contrast to the metasurface holograms operating in the linear optical regime, the wavelength of incident fundamental light should be slightly detuned from the fundamental resonant wavelength to optimize the efficiency and quality of nonlinear holographic images. The proposed modeling provides a general method to simulate nonlinear optical devices based on metallic metasurfaces.

Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification

PubMed Central

Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

2016-01-01

Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents. PMID:27713563

Fundamental Studies of Crystal Growth of Microporous Materials

NASA Technical Reports Server (NTRS)

Singh, Ramsharan; Doolittle, John, Jr.; Payra, Pramatha; Dutta, Prabir K.; George, Michael A.; Ramachandran, Narayanan; Schoeman, Brian J.

2003-01-01

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (a) Nature of the molecular units responsible for the crystal nuclei formation; (b) Nature of the nuclei and nucleation process; (c) Growth process of the nuclei into crystal; (d) Morphological control and size of the resulting crystal; (e) Surface structure of the resulting crystals; and (f) Transformation of frameworks into other frameworks or condensed structures.

Chemical Solitaire

ERIC Educational Resources Information Center

Philippof, Joanna; Seraphin, Kanesa Duncan; Seki, Jennifer; Kaupp, Lauren

2015-01-01

The periodic table does more than provide information about the elements. The periodic table also helps us make predictions about how the elements behave. Understanding the atomic structure of matter and periodic properties of the elements, as shown in the periodic table, is fundamental to many scientific disciplines. Unfortunately, high school…

Fundamental Astronomy (Astronomie Fondamentale)

DTIC Science & Technology

2009-01-01

defined by Earth rotation, then by the motion of the Earth around the Sun, now by atomic clocks, and maybe by pulsars in future, the time and its...intensively in cooperation with other unions, mainly the International Telecommunication Union (ITU). Pulsars with very stable millisecond periods seem to

Electronic structure studies of a clock-reconstructed Al/Pd(1 0 0) surface alloy

NASA Astrophysics Data System (ADS)

Kirsch, Janet E.; Tainter, Craig J.

We have employed solid-state Fenske-Hall band structure calculations to examine the electronic structure of Al/Pd(1 0 0), a surface alloy that undergoes a reconstruction, or rearrangement, of the atoms in the top few surface layers. Surface alloys are materials that consist primarily of a single elemental metal, but which have a bimetallic surface composition that is only a few atomic layers in thickness. The results of this study indicate that reconstruction into a clock configuration simultaneously optimizes the intralayer bonding within the surface plane and the bonding between the first and second atomic layers. These results also allow us to examine the fundamental relationship between the electronic and physical structures of this reconstructed surface alloy.

On Structure and Properties of Amorphous Materials

PubMed Central

Stachurski, Zbigniew H.

2011-01-01

Mechanical, optical, magnetic and electronic properties of amorphous materials hold great promise towards current and emergent technologies. We distinguish at least four categories of amorphous (glassy) materials: (i) metallic; (ii) thin films; (iii) organic and inorganic thermoplastics; and (iv) amorphous permanent networks. Some fundamental questions about the atomic arrangements remain unresolved. This paper focuses on the models of atomic arrangements in amorphous materials. The earliest ideas of Bernal on the structure of liquids were followed by experiments and computer models for the packing of spheres. Modern approach is to carry out computer simulations with prediction that can be tested by experiments. A geometrical concept of an ideal amorphous solid is presented as a novel contribution to the understanding of atomic arrangements in amorphous solids. PMID:28824158

Cross-sectional scanning tunneling microscopy of antiphase boundaries in epitaxially grown GaP layers on Si(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prohl, Christopher; Lenz, Andrea, E-mail: alenz@physik.tu-berlin.de; Döscher, Henning

2016-05-15

In a fundamental cross-sectional scanning tunneling microscopy investigation on epitaxially grown GaP layers on a Si(001) substrate, differently oriented antiphase boundaries are studied. They can be identified by a specific contrast and by surface step edges starting/ending at the position of an antiphase boundary. Moreover, a change in the atomic position of P and Ga atoms along the direction of growth is observed in agreement with the structure model of antiphase boundaries in the GaP lattice. This investigation opens the perspective to reveal the orientation and position of the antiphase boundaries at the atomic scale due to the excellent surfacemore » sensitivity of this method.« less

High-fidelity cluster state generation for ultracold atoms in an optical lattice.

PubMed

Inaba, Kensuke; Tokunaga, Yuuki; Tamaki, Kiyoshi; Igeta, Kazuhiro; Yamashita, Makoto

2014-03-21

We propose a method for generating high-fidelity multipartite spin entanglement of ultracold atoms in an optical lattice in a short operation time with a scalable manner, which is suitable for measurement-based quantum computation. To perform the desired operations based on the perturbative spin-spin interactions, we propose to actively utilize the extra degrees of freedom (DOFs) usually neglected in the perturbative treatment but included in the Hubbard Hamiltonian of atoms, such as, (pseudo-)charge and orbital DOFs. Our method simultaneously achieves high fidelity, short operation time, and scalability by overcoming the following fundamental problem: enhancing the interaction strength for shortening the operation time breaks the perturbative condition of the interaction and inevitably induces unwanted correlations among the spin and extra DOFs.

Protonium production in ATHENA

NASA Astrophysics Data System (ADS)

Venturelli, L.; Amoretti, M.; Amsler, C.; Bonomi, G.; Carraro, C.; Cesar, C. L.; Charlton, M.; Doser, M.; Fontana, A.; Funakoshi, R.; Genova, P.; Hayano, R. S.; Jørgensen, L. V.; Kellerbauer, A.; Lagomarsino, V.; Landua, R.; Rizzini, E. Lodi; Macrì, M.; Madsen, N.; Manuzio, G.; Mitchard, D.; Montagna, P.; Posada, L. G.; Pruys, H.; Regenfus, C.; Rotondi, A.; Testera, G.; van der Werf, D. P.; Variola, A.; Yamazaki, Y.; Zurlo, N.; Athena Collaboration

2007-08-01

The ATHENA experiment at CERN, after producing cold antihydrogen atoms for the first time in 2002, has synthesised protonium atoms in vacuum at very low energies. Protonium, i.e. the antiproton-proton bound system, is of interest for testing fundamental physical theories. In the nested penning trap of the ATHENA apparatus protonium has been produced as result of a chemical reaction between an antiproton and the simplest matter molecule, H2+. The formed protonium atoms have kinetic energies in the range 40-700 meV and are metastable with mean lifetimes of the order of 1 μs. Our result shows that it will be possible to start measurements on protonium at low energy antiproton facilities, such as the AD at CERN or FLAIR at GSI.

Encoding of Fundamental Chemical Entities of Organic Reactivity Interest using chemical ontology and XML.

PubMed

Durairaj, Vijayasarathi; Punnaivanam, Sankar

2015-09-01

Fundamental chemical entities are identified in the context of organic reactivity and classified as appropriate concept classes namely ElectronEntity, AtomEntity, AtomGroupEntity, FunctionalGroupEntity and MolecularEntity. The entity classes and their subclasses are organized into a chemical ontology named "ChemEnt" for the purpose of assertion, restriction and modification of properties through entity relations. Individual instances of entity classes are defined and encoded as a library of chemical entities in XML. The instances of entity classes are distinguished with a unique notation and identification values in order to map them with the ontology definitions. A model GUI named Entity Table is created to view graphical representations of all the entity instances. The detection of chemical entities in chemical structures is achieved through suitable algorithms. The possibility of asserting properties to the entities at different levels and the mechanism of property flow within the hierarchical entity levels is outlined. Copyright © 2015 Elsevier Inc. All rights reserved.

Observation of symmetry-protected topological band with ultracold fermions

PubMed Central

Song, Bo; Zhang, Long; He, Chengdong; Poon, Ting Fung Jeffrey; Hajiyev, Elnur; Zhang, Shanchao; Liu, Xiong-Jun; Jo, Gyu-Boong

2018-01-01

Symmetry plays a fundamental role in understanding complex quantum matter, particularly in classifying topological quantum phases, which have attracted great interests in the recent decade. An outstanding example is the time-reversal invariant topological insulator, a symmetry-protected topological (SPT) phase in the symplectic class of the Altland-Zirnbauer classification. We report the observation for ultracold atoms of a noninteracting SPT band in a one-dimensional optical lattice and study quench dynamics between topologically distinct regimes. The observed SPT band can be protected by a magnetic group and a nonlocal chiral symmetry, with the band topology being measured via Bloch states at symmetric momenta. The topology also resides in far-from-equilibrium spin dynamics, which are predicted and observed in experiment to exhibit qualitatively distinct behaviors in quenching to trivial and nontrivial regimes, revealing two fundamental types of spin-relaxation dynamics related to bulk topology. This work opens the way to expanding the scope of SPT physics with ultracold atoms and studying nonequilibrium quantum dynamics in these exotic systems. PMID:29492457

Modulation Doping of Silicon using Aluminium-induced Acceptor States in Silicon Dioxide

PubMed Central

König, Dirk; Hiller, Daniel; Gutsch, Sebastian; Zacharias, Margit; Smith, Sean

2017-01-01

All electronic, optoelectronic or photovoltaic applications of silicon depend on controlling majority charge carriers via doping with impurity atoms. Nanoscale silicon is omnipresent in fundamental research (quantum dots, nanowires) but also approached in future technology nodes of the microelectronics industry. In general, silicon nanovolumes, irrespective of their intended purpose, suffer from effects that impede conventional doping due to fundamental physical principles such as out-diffusion, statistics of small numbers, quantum- or dielectric confinement. In analogy to the concept of modulation doping, originally invented for III-V semiconductors, we demonstrate a heterostructure modulation doping method for silicon. Our approach utilizes a specific acceptor state of aluminium atoms in silicon dioxide to generate holes as majority carriers in adjacent silicon. By relocating the dopants from silicon to silicon dioxide, Si nanoscale doping problems are circumvented. In addition, the concept of aluminium-induced acceptor states for passivating hole selective tunnelling contacts as required for high-efficiency photovoltaics is presented and corroborated by first carrier lifetime and tunnelling current measurements. PMID:28425460

Concepts and technology development towards a platform for macroscopic quantum experiments in space

NASA Astrophysics Data System (ADS)

Kaltenbaek, Rainer

Tremendous progress has been achieved in space technology over the last decade. This technological heritage promises enabling applications of quantum technology in space already now or in the near future. Heritage in laser and optical technologies from LISA Pathfinder comprises core technologies required for quantum optical experiments. Low-noise micro-thruster technology from GAIA allows achieving an impressive quality of microgravity, and passive radiative cooling approaches as in the James Webb Space Telescope may be adapted for achieving cryogenic temperatures. Developments like these have rendered space an increasingly attractive platform for quantum-enhanced sensing and for fundamental tests of physics using quantum technology. In particular, there already have been significant efforts towards ralizing atom interferometry and atomic clocks in space as well as efforts to harness space as an environment for fundamental tests of physics using quantum optomechanics and high-mass matter-wave interferometry. Here, we will present recent efforts in spacecraft design and technology development towards this latter goal in the context of the mission proposal MAQRO.

Cell segmentation in phase contrast microscopy images via semi-supervised classification over optics-related features.

PubMed

Su, Hang; Yin, Zhaozheng; Huh, Seungil; Kanade, Takeo

2013-10-01

Phase-contrast microscopy is one of the most common and convenient imaging modalities to observe long-term multi-cellular processes, which generates images by the interference of lights passing through transparent specimens and background medium with different retarded phases. Despite many years of study, computer-aided phase contrast microscopy analysis on cell behavior is challenged by image qualities and artifacts caused by phase contrast optics. Addressing the unsolved challenges, the authors propose (1) a phase contrast microscopy image restoration method that produces phase retardation features, which are intrinsic features of phase contrast microscopy, and (2) a semi-supervised learning based algorithm for cell segmentation, which is a fundamental task for various cell behavior analysis. Specifically, the image formation process of phase contrast microscopy images is first computationally modeled with a dictionary of diffraction patterns; as a result, each pixel of a phase contrast microscopy image is represented by a linear combination of the bases, which we call phase retardation features. Images are then partitioned into phase-homogeneous atoms by clustering neighboring pixels with similar phase retardation features. Consequently, cell segmentation is performed via a semi-supervised classification technique over the phase-homogeneous atoms. Experiments demonstrate that the proposed approach produces quality segmentation of individual cells and outperforms previous approaches. Copyright © 2013 Elsevier B.V. All rights reserved.

Identification of BrONO as the major product in the gas-phase reaction of Br and NO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Orlando, J.J.; Burkholder, J.B.

2000-03-16

Products of the gas-phase reaction of Br atoms with NO{sub 2} have been quantitatively determined at temperatures between 215 and 300 K in an environmental chamber interfaced to an FT-IR spectrometer. The major product of the reaction (yield > 75%) was found to be the cis isomer of BrONO, which was identified and quantified by means of its N-O stretching fundamental at 1,660 cm{sup {minus}1}; this represents the first gas-phase detection of this species. Although rapid thermal decomposition back to Br and NO{sub 2} precludes its detection at room temperature (lifetime < 1 s), BrONO was detected at temperatures atmore » and below 263 K. Isomerization of the BrONO to BrNO{sub 2} was found to be an important fate of BrONO at low temperatures. The rate coefficient for this process was found to increase with decreasing pressure, indicative of a heterogeneous process. At 700 Torr, this isomerization rate was (0.013 {+-} 0.003) s{sup {minus}1}, independent of temperature over the range 218--243 K. Evidence was also obtained for rapid reactions between Br atoms and both BrONO and BrNO{sub 2} (10{sup {minus}10} > k > 10{sup {minus}11}cm{sup 3} molecule{sup {minus}1}s{sup {minus}1}).« less

Ab initio density-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics.

PubMed

Hafner, Jürgen

2010-09-29

During the last 20 years computer simulations based on a quantum-mechanical description of the interactions between electrons and atomic nuclei have developed an increasingly important impact on materials science, not only in promoting a deeper understanding of the fundamental physical phenomena, but also enabling the computer-assisted design of materials for future technologies. The backbone of atomic-scale computational materials science is density-functional theory (DFT) which allows us to cast the intractable complexity of electron-electron interactions into the form of an effective single-particle equation determined by the exchange-correlation functional. Progress in DFT-based calculations of the properties of materials and of simulations of processes in materials depends on: (1) the development of improved exchange-correlation functionals and advanced post-DFT methods and their implementation in highly efficient computer codes, (2) the development of methods allowing us to bridge the gaps in the temperature, pressure, time and length scales between the ab initio calculations and real-world experiments and (3) the extension of the functionality of these codes, permitting us to treat additional properties and new processes. In this paper we discuss the current status of techniques for performing quantum-based simulations on materials and present some illustrative examples of applications to complex quasiperiodic alloys, cluster-support interactions in microporous acid catalysts and magnetic nanostructures.

On Substrate for Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Yamada, Toshishige; Bauschlicher, Charles W., Jr.; Partridge, Harry; Saini, Subhash (Technical Monitor)

1998-01-01

A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. However, the two requirements conflict. For excellent electronic isolation, we may seek adatom confinement via van der Waals interaction without chemical bonding to the substrate atoms, but the confinement turns out to be very weak and hence unsatisfactory. An alternative chemical bonding scheme with excellent structural strength is examined, but even fundamental adatom chain properties such as whether chains are semiconducting or metallic are strongly influenced by the nature of the chemical bonding, and electronic isolation is not always achieved. Conditions for obtaining semiconducting chains with well-localized surface-modes, leading to good isolation, are clarified and discussed.

Extracting elastic properties of an atomically thin interfacial layer by time-domain analysis of femtosecond acoustics

NASA Astrophysics Data System (ADS)

Chen, H.-Y.; Huang, Y.-R.; Shih, H.-Y.; Chen, M.-J.; Sheu, J.-K.; Sun, C.-K.

2017-11-01

Modern devices adopting denser designs and complex 3D structures have created much more interfaces than before, where atomically thin interfacial layers could form. However, fundamental information such as the elastic property of the interfacial layers is hard to measure. The elastic property of the interfacial layer is of great importance in both thermal management and nano-engineering of modern devices. Appropriate techniques to probe the elastic properties of interfacial layers as thin as only several atoms are thus critically needed. In this work, we demonstrated the feasibility of utilizing the time-resolved femtosecond acoustics technique to extract the elastic properties and mass density of a 1.85-nm-thick interfacial layer, with the aid of transmission electron microscopy. We believe that this femtosecond acoustics approach will provide a strategy to measure the absolute elastic properties of atomically thin interfacial layers.

Big Bang Day : The Great Big Particle Adventure - 1. Atom

ScienceCinema

None

2017-12-09

In this series, comedian and physicist Ben Miller asks the CERN scientists what they hope to find. The notion of atoms dates back to Greek philosophers who sought a natural mechanical explanation of the Universe, as opposed to a divine one. The existence what we call chemical atoms, the constituents of all we see around us, wasn't proved until a hundred years ago, but almost simultaneously it was realised these weren't the indivisible constituents the Greeks envisaged. Much of the story of physics since then has been the ever-deeper probing of matter until, at the end of the 20th century, a complete list of fundamental ingredients had been identified, apart from one, the much discussed Higgs particle. In this programme, Ben finds out why this last particle is so pivotal, not just to atomic theory, but to our very existence - and how hopeful the scientists are of proving its existence.

Designing exotic many-body states of atomic spin and motion in photonic crystals.

PubMed

Manzoni, Marco T; Mathey, Ludwig; Chang, Darrick E

2017-03-08

Cold atoms coupled to photonic crystals constitute an exciting platform for exploring quantum many-body physics. For example, such systems offer the potential to realize strong photon-mediated forces between atoms, which depend on the atomic internal (spin) states, and where both the motional and spin degrees of freedom can exhibit long coherence times. An intriguing question then is whether exotic phases could arise, wherein crystalline or other spatial patterns and spin correlations are fundamentally tied together, an effect that is atypical in condensed matter systems. Here, we analyse one realistic model Hamiltonian in detail. We show that this previously unexplored system exhibits a rich phase diagram of emergent orders, including spatially dimerized spin-entangled pairs, a fluid of composite particles comprised of joint spin-phonon excitations, phonon-induced Néel ordering, and a fractional magnetization plateau associated with trimer formation.

Quantum oscillations of nitrogen atoms in uranium nitride

NASA Astrophysics Data System (ADS)

Aczel, A. A.; Granroth, G. E.; MacDougall, G. J.; Buyers, W. J. L.; Abernathy, D. L.; Samolyuk, G. D.; Stocks, G. M.; Nagler, S. E.

2012-10-01

The vibrational excitations of crystalline solids corresponding to acoustic or optic one-phonon modes appear as sharp features in measurements such as neutron spectroscopy. In contrast, many-phonon excitations generally produce a complicated, weak and featureless response. Here we present time-of-flight neutron scattering measurements for the binary solid uranium nitride, showing well-defined, equally spaced, high-energy vibrational modes in addition to the usual phonons. The spectrum is that of a single atom, isotropic quantum harmonic oscillator and characterizes independent motions of light nitrogen atoms, each found in an octahedral cage of heavy uranium atoms. This is an unexpected and beautiful experimental realization of one of the fundamental, exactly solvable problems in quantum mechanics. There are also practical implications, as the oscillator modes must be accounted for in the design of generation IV nuclear reactors that plan to use uranium nitride as a fuel.

Quantum oscillations of nitrogen atoms in uranium nitride.

PubMed

Aczel, A A; Granroth, G E; Macdougall, G J; Buyers, W J L; Abernathy, D L; Samolyuk, G D; Stocks, G M; Nagler, S E

2012-01-01

The vibrational excitations of crystalline solids corresponding to acoustic or optic one-phonon modes appear as sharp features in measurements such as neutron spectroscopy. In contrast, many-phonon excitations generally produce a complicated, weak and featureless response. Here we present time-of-flight neutron scattering measurements for the binary solid uranium nitride, showing well-defined, equally spaced, high-energy vibrational modes in addition to the usual phonons. The spectrum is that of a single atom, isotropic quantum harmonic oscillator and characterizes independent motions of light nitrogen atoms, each found in an octahedral cage of heavy uranium atoms. This is an unexpected and beautiful experimental realization of one of the fundamental, exactly solvable problems in quantum mechanics. There are also practical implications, as the oscillator modes must be accounted for in the design of generation IV nuclear reactors that plan to use uranium nitride as a fuel.

Reinventing solid state electronics: Harnessing quantum confinement in bismuth thin films

NASA Astrophysics Data System (ADS)

Gity, Farzan; Ansari, Lida; Lanius, Martin; Schüffelgen, Peter; Mussler, Gregor; Grützmacher, Detlev; Greer, J. C.

2017-02-01

Solid state electronics relies on the intentional introduction of impurity atoms or dopants into a semiconductor crystal and/or the formation of junctions between different materials (heterojunctions) to create rectifiers, potential barriers, and conducting pathways. With these building blocks, switching and amplification of electrical currents and voltages are achieved. As miniaturisation continues to ultra-scaled transistors with critical dimensions on the order of ten atomic lengths, the concept of doping to form junctions fails and forming heterojunctions becomes extremely difficult. Here, it is shown that it is not needed to introduce dopant atoms nor is a heterojunction required to achieve the fundamental electronic function of current rectification. Ideal diode behavior or rectification is achieved solely by manipulation of quantum confinement using approximately 2 nm thick films consisting of a single atomic element, the semimetal bismuth. Crucially for nanoelectronics, this approach enables room temperature operation.

Experimental realization of a subwavelength optical potential based on atomic dark state

NASA Astrophysics Data System (ADS)

Wang, Yang; Subhankar, Sarthak; Rolston, Steven; Porto, James

2017-04-01

As a well-established tool optical lattice (OL) provides the unique opportunity to exploit the rich manybody physics. However, ``traditional'' OL, either via laser beam interference or direct projection with spatial light modulator, has a length scale around the wavelength (0.1 10 λ) that is set by diffraction, a fundamental limit from the wave nature of the light. Recent theoretical proposals suggest an alternative route, where the geometric potential, stemming from light-atom interaction, can be engineered to generate a much finer potential landscape which is essentially limited by the wave nature of the slow moving cold atoms. We report on the progress towards an experimental realization of these ideas using degenerate fermionic ytterbium atoms. Such subwavelength optical potential could open the gate to study physics beyond currently available parameter regimes, such as enhanced super-exchange coupling, magnetic dipolar coupling, and tunnel junction in atomtronics.

Gold atoms and dimers on amorphous SiO(2): calculation of optical properties and cavity ringdown spectroscopy measurements.

PubMed

Del Vitto, Annalisa; Pacchioni, Gianfranco; Lim, Kok Hwa; Rösch, Notker; Antonietti, Jean-Marie; Michalski, Marcin; Heiz, Ulrich; Jones, Harold

2005-10-27

We report on the optical absorption spectra of gold atoms and dimers deposited on amorphous silica in size-selected fashion. Experimental spectra were obtained by cavity ringdown spectroscopy. Issues on soft-landing, fragmentation, and thermal diffusion are discussed on the basis of the experimental results. In parallel, cluster and periodic supercell density functional theory (DFT) calculations were performed to model atoms and dimers trapped on various defect sites of amorphous silica. Optically allowed electronic transitions were calculated, and comparisons with the experimental spectra show that silicon dangling bonds [[triple bond]Si(.-)], nonbridging oxygen [[triple bond]Si-O(.-)], and the silanolate group [[triple bond]Si-O(-)] act as trapping centers for the gold particles. The results are not only important for understanding the chemical bonding of atoms and clusters on oxide surfaces, but they will also be of fundamental interest for photochemical studies of size-selected clusters on surfaces.