Study of magnetic resonance with parametric modulation in a potassium vapor cell

NASA Astrophysics Data System (ADS)

Zhang, Rui; Wang, Zhiguo; Peng, Xiang; Li, Wenhao; Li, Songjian; Guo, Hong; Cream Team

2017-04-01

A typical magnetic-resonance scheme employs a static bias magnetic field and an orthogonal driving magnetic field oscillating at the Larmor frequency, at which the atomic polarization precesses around the static magnetic field. We demonstrate in a potassium vapor cell the variations of the resonance condition and the spin precession dynamics resulting from the parametric modulation of the bias field, which are in well agreement with theoretical predictions from the Bloch equation. We show that, the driving magnetic field with the frequency detuned by different harmonics of the parametric modulation frequency can lead to resonance as well. Also, a series of frequency sidebands centered at the driving frequency and spaced by the parametric modulation frequency can be observed in the precession of the atomic polarization. These effects could be used in different atomic magnetometry applications. This work is supported by the National Science Fund for Distinguished Young Scholars of China (Grant No. 61225003) and the National Natural Science Foundation of China (Grant Nos. 61531003 and 61571018).

Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution

NASA Astrophysics Data System (ADS)

Gross, Simon; Barmet, Christoph; Dietrich, Benjamin E.; Brunner, David O.; Schmid, Thomas; Pruessmann, Klaas P.

2016-12-01

High-field magnets of up to tens of teslas in strength advance applications in physics, chemistry and the life sciences. However, progress in generating such high fields has not been matched by corresponding advances in magnetic field measurement. Based mostly on nuclear magnetic resonance, dynamic high-field magnetometry is currently limited to resolutions in the nanotesla range. Here we report a concerted approach involving tailored materials, magnetostatics and detection electronics to enhance the resolution of nuclear magnetic resonance sensing by three orders of magnitude. The relative sensitivity thus achieved amounts to 1 part per trillion (10-12). To exemplify this capability we demonstrate the direct detection and relaxometry of nuclear polarization and real-time recording of dynamic susceptibility effects related to human heart function. Enhanced high-field magnetometry will generally permit a fresh look at magnetic phenomena that scale with field strength. It also promises to facilitate the development and operation of high-field magnets.

Optical Magnetometry using Multipass Cells with overlapping beams

NASA Astrophysics Data System (ADS)

McDonough, Nathaniel David; Lucivero, Vito Giovanni; Dural, Nezih; Romalis, Michael

2017-04-01

In recent years, multipass cells with cylindrical mirrors have proven to be a successful way of making highly sensitive atomic magnetometers. In such cells a small laser beam makes 40 to 100 passes within the cell without significant overlap with itself. Here we describe a new multi-pass geometry which uses spherical mirrors to reflect the probe beam multiple times over the same cell region. Such geometry reduces the effects of atomic diffusion while preserving the advantages of multi-pass cells over standing-wave cavities, namely a deterministic number of passes and absence of interference. We have fabricated several cells with this geometry and obtained good agreement between the measured and calculated levels of quantum spin noise. We will report on our effort to characterize the diffusion spin-correlation function in these cells and operation of the cell as a magnetometer. This work is supported by DARPA.

Heteroepitaxial Growth of Ferromagnetic MnSb(0001) Films on Ge/Si(111) Virtual Substrates.

PubMed

Burrows, Christopher W; Dobbie, Andrew; Myronov, Maksym; Hase, Thomas P A; Wilkins, Stuart B; Walker, Marc; Mudd, James J; Maskery, Ian; Lees, Martin R; McConville, Christopher F; Leadley, David R; Bell, Gavin R

2013-11-06

Molecular beam epitaxial growth of ferromagnetic MnSb(0001) has been achieved on high quality, fully relaxed Ge(111)/Si(111) virtual substrates grown by reduced pressure chemical vapor deposition. The epilayers were characterized using reflection high energy electron diffraction, synchrotron hard X-ray diffraction, X-ray photoemission spectroscopy, and magnetometry. The surface reconstructions, magnetic properties, crystalline quality, and strain relaxation behavior of the MnSb films are similar to those of MnSb grown on GaAs(111). In contrast to GaAs substrates, segregation of substrate atoms through the MnSb film does not occur, and alternative polymorphs of MnSb are absent.

Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution

PubMed Central

Gross, Simon; Barmet, Christoph; Dietrich, Benjamin E.; Brunner, David O.; Schmid, Thomas; Pruessmann, Klaas P.

2016-01-01

High-field magnets of up to tens of teslas in strength advance applications in physics, chemistry and the life sciences. However, progress in generating such high fields has not been matched by corresponding advances in magnetic field measurement. Based mostly on nuclear magnetic resonance, dynamic high-field magnetometry is currently limited to resolutions in the nanotesla range. Here we report a concerted approach involving tailored materials, magnetostatics and detection electronics to enhance the resolution of nuclear magnetic resonance sensing by three orders of magnitude. The relative sensitivity thus achieved amounts to 1 part per trillion (10−12). To exemplify this capability we demonstrate the direct detection and relaxometry of nuclear polarization and real-time recording of dynamic susceptibility effects related to human heart function. Enhanced high-field magnetometry will generally permit a fresh look at magnetic phenomena that scale with field strength. It also promises to facilitate the development and operation of high-field magnets. PMID:27910860

Super-resolution optical imaging and magnetometry using NV centers in diamond

NASA Astrophysics Data System (ADS)

Jaskula, Jean-Christophe; Trifonov, Alexei; Glenn, David; Bar-Gill, Nir; Walsworth, Ronald

2013-05-01

We report progress done on the development and application of depletion-based techniques for super-resolution (nanoscale) optical imaging and magnetometry using NV centers in diamond. In particulare we are integrating stimulated emission depletion (STED) and ground state depletion (GSD) imaging techniques with advanced pulsed sequences for AC magnetometry. NV centers in diamond do not bleach under optical excitation, have long-lived electronic spin coherence and spin-state-dependent fluorescence, and are not biotoxic. Thus NV-diamond has great potential in quantum science and as a nanoscale magnetic biosensor.

UXO Detection and Characterization in the Marine Environment

DTIC Science & Technology

2009-12-01

10 Figure 8. A part of Ostrich Bay adjacent to the Naval Ammunition Depot Puget Sound during the period of its...large-scale demonstration focus on a marine geophysical magnetometry survey of Ostrich Bay adjacent to the Former Naval Ammunition Depot – Puget Sound ...The Puget Sound Demonstration was also supported by NAVFAC Northwest, the current manager of the site. The Navy Project Manager is Mr. Mark Murphy

Visualization and manipulation of magnetic domains in the quasi-two-dimensional material F e3GeT e2

NASA Astrophysics Data System (ADS)

Nguyen, Giang D.; Lee, Jinhwan; Berlijn, Tom; Zou, Qiang; Hus, Saban M.; Park, Jewook; Gai, Zheng; Lee, Changgu; Li, An-Ping

2018-01-01

The magnetic domains in two-dimensional layered material F e3GeT e2 are studied by using a variable-temperature scanning tunneling microscope with a magnetic tip after in situ cleaving of single crystals. A stripy domain structure is revealed in a zero-field-cooled sample below the ferromagnetic transition temperature of 205 K, which is replaced by separate double-walled domains and bubble domains when cooling the sample under a magnetic field of a ferromagnetic Ni tip. The Ni tip can further convert the double-walled domain to a bubble domain pattern as well as move the Neel-type chiral bubble in submicrometer distance. The temperature-dependent evolutions of both zero-field-cooled and field-cooled domain structures correlate well with the bulk magnetization from magnetometry measurements. Atomic resolution scanning tunneling images and spectroscopy are acquired to understand the atomic and electronic structures of the material, which are further corroborated by first-principles calculations.

Ultra-sensitive magnetic microscopy with an atomic magnetometer and flux guides

NASA Astrophysics Data System (ADS)

Kim, Young Jin; Savukov, Igor

Many applications in neuroscience, biomedical research, and material science require high-sensitivity, high-resolution magnetometry. In order to meet this need we recently combined a cm-size spin-exchange relaxation-free Atomic Magnetometer (AM) with a flux guide (FG) to produce ultra-sensitive FG-AM magnetic microscopy. The FG serves to transmit the target magnetic flux to the AM thus enhancing both the sensitivity and resolution to tiny magnetic objects. In this talk, we will describe existing and next generation FG-AM devices and present experimental and numerical tests of its sensitivity and resolution. We demonstrate that an optimized FG-AM has sufficient resolution and sensitivity for the detection of a small number of neurons, which would be an important milestone in neuroscience. In addition, as a demonstration of one possible application of the FG-AM device, we conducted high-resolution magnetic imaging of micron-size magnetic particles. We will show that the device can produce clear microscopic magnetic image of 10 μm-size magnetic particles.

Structural, magnetic, and transport properties of Permalloy for spintronic experiments

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

Nahrwold, Gesche; Scholtyssek, Jan M.; Motl-Ziegler, Sandra

2010-07-15

Permalloy (Ni{sub 80}Fe{sub 20}) is broadly used to prepare magnetic nanostructures for high-frequency experiments where the magnetization is either excited by electrical currents or magnetic fields. Detailed knowledge of the material properties is mandatory for thorough understanding its magnetization dynamics. In this work, thin Permalloy films are grown by dc-magnetron sputtering on heated substrates and by thermal evaporation with subsequent annealing. The specific resistance is determined by van der Pauw methods. Point-contact Andreev reflection is employed to determine the spin polarization of the films. The topography is imaged by atomic-force microscopy, and the magnetic microstructure by magnetic-force microscopy. Transmission-electron microscopymore » and transmission-electron diffraction are performed to determine atomic composition, crystal structure, and morphology. From ferromagnetic resonance absorption spectra the saturation magnetization, the anisotropy, and the Gilbert damping parameter are determined. Coercive fields and anisotropy are measured by magneto-optical Kerr magnetometry. The sum of the findings enables optimization of Permalloy for spintronic experiments.« less

SQUID magnetometry from nanometer to centimeter length scales

NASA Astrophysics Data System (ADS)

Hatridge, Michael Jonathan

Information stored in magnetic fields plays an important role in everyday life. This information exists over a remarkably wide range of sizes, so that magnetometry at a variety of length scales can extract useful information. Examples at centimeter to millimeter length scales include measurement of spatial and temporal character of fields generated in the human brain and heart, and active manipulation of spins in the human body for non-invasive magnetic resonance imaging (MRI). At micron length scales, magnetometry can be used to measure magnetic objects such as flux qubits; at nanometer length scales it can be used to study individual magnetic domains, and even individual spins. The development of Superconducting QUantum Interference Device (SQUID) based magnetometer for two such applications, in vivo prepolarized, ultra-low field MRI of humans and dispersive readout of SQUIDs for micro- and nanoscale magnetometry, are the focus of this thesis. Conventional MRI has developed into a powerful clinical tool for imaging the human body. This technique is based on nuclear magnetic resonance of protons with the addition application of three-dimensional magnetic field gradients to encode spatial information. Most clinical MRI systems involve magnetic fields generated by superconducting magnets, and the current trend is to higher magnetic fields than the widely used 1.5-T systems. Nonetheless, there is ongoing interest in the development of less expensive imagers operating at lower fields. The prepolarized, SQUID detected ultra-low field MRI (ULF MRI) developed by the Clarke group allows imaging in very weak fields (typically 132 muT, corresponding to a resonant frequency of 5.6 kHz). At these low field strengths, there is enhanced contrast in the longitudinal relaxation time of various tissue types, enabling imaging of objects which are not visible to conventional MRI, for instance prostate cancer. We are currently investigating the contrast between normal and cancerous prostate tissue in ex vivo prostate specimens in collaboration with the UCSF Genitourinary Oncology/Prostate SPORE Tissue Core. In characterizing pairs of nominally normal and cancerous tissue, we measure a marked difference in the longitudinal relaxation times, with an average value of cancerous tissue 0.66 times shorter than normal prostate tissue. However, in vivo imaging is required to definitively demonstrate the feasibility of ULF MR imaging of prostate cancer. To that end, we have worked to improve the performance of the system to facilitate human imaging. This is accomplished by increasing the prepolarizing field amplitude, and minimizing magnetic noise in the SQUID detector. We have achieved polarizing fields as high as 150 mT and SQUID effective field noise below 1 fT Hz-1/2, enabling us to demonstrate proof-of-principle in vivo images of the human forearm with 2 x 2 x 10 mm3 resolution in 6 minutes. On a much smaller spatial scale, there is currently fundamental and technological interest in measuring and manipulating nanoscale magnets, particularly in the quantum coherent regime. The observation of the dynamics of such systems requires a magnetometer with not only exceptional sensitivity but also high gain, wide bandwidth and low backaction. We demonstrate a dispersive magnetometer consisting of a two-junction SQUID in parallel with an integrated, lumped-element capacitor. Input flux signals are encoded as a phase modulation of the microwave drive tone applied to the magnetometer, resulting in a single quadrature voltage signal. For strong drive power, the nonlinearity of the resonator results in quantum limited, phase sensitive parametric amplification of this signal. We have achieved a bandwidth of 20 MHz---approximately two orders of magnitude higher than dispersive devices of comparable sensitivity---with an effective flux noise of 0.29 muphi0 Hz-12 . This performance is in excellent agreement with our theoretical model.

Micro-Hall magnetometry on a Co-organic chain compound

NASA Astrophysics Data System (ADS)

Rolland, L.; Simonet, V.; Wernsdorfer, W.; Bogani, L.; Sessoli, R.

2004-05-01

The static and dynamical properties of Co-organic chains, with strong magnetic anisotropy, are studied by micro-Hall magnetometry. The low-temperature hysteresis cycles are discussed with respect to the helical structure of the chains. Thermally activated relaxation of the magnetization is observed, compatible with the Glauber model for a 1D Ising system.

Probing condensed matter physics with magnetometry based on nitrogen-vacancy centres in diamond

NASA Astrophysics Data System (ADS)

Casola, Francesco; van der Sar, Toeno; Yacoby, Amir

2018-01-01

The magnetic fields generated by spins and currents provide a unique window into the physics of correlated-electron materials and devices. First proposed only a decade ago, magnetometry based on the electron spin of nitrogen-vacancy (NV) defects in diamond is emerging as a platform that is excellently suited for probing condensed matter systems; it can be operated from cryogenic temperatures to above room temperature, has a dynamic range spanning from direct current to gigahertz and allows sensor-sample distances as small as a few nanometres. As such, NV magnetometry provides access to static and dynamic magnetic and electronic phenomena with nanoscale spatial resolution. Pioneering work has focused on proof-of-principle demonstrations of its nanoscale imaging resolution and magnetic field sensitivity. Now, experiments are starting to probe the correlated-electron physics of magnets and superconductors and to explore the current distributions in low-dimensional materials. In this Review, we discuss the application of NV magnetometry to the exploration of condensed matter physics, focusing on its use to study static and dynamic magnetic textures and static and dynamic current distributions.

Roadmap on quantum optical systems

NASA Astrophysics Data System (ADS)

Dumke, Rainer; Lu, Zehuang; Close, John; Robins, Nick; Weis, Antoine; Mukherjee, Manas; Birkl, Gerhard; Hufnagel, Christoph; Amico, Luigi; Boshier, Malcolm G.; Dieckmann, Kai; Li, Wenhui; Killian, Thomas C.

2016-09-01

This roadmap bundles fast developing topics in experimental optical quantum sciences, addressing current challenges as well as potential advances in future research. We have focused on three main areas: quantum assisted high precision measurements, quantum information/simulation, and quantum gases. Quantum assisted high precision measurements are discussed in the first three sections, which review optical clocks, atom interferometry, and optical magnetometry. These fields are already successfully utilized in various applied areas. We will discuss approaches to extend this impact even further. In the quantum information/simulation section, we start with the traditionally successful employed systems based on neutral atoms and ions. In addition the marvelous demonstrations of systems suitable for quantum information is not progressing, unsolved challenges remain and will be discussed. We will also review, as an alternative approach, the utilization of hybrid quantum systems based on superconducting quantum devices and ultracold atoms. Novel developments in atomtronics promise unique access in exploring solid-state systems with ultracold gases and are investigated in depth. The sections discussing the continuously fast-developing quantum gases include a review on dipolar heteronuclear diatomic gases, Rydberg gases, and ultracold plasma. Overall, we have accomplished a roadmap of selected areas undergoing rapid progress in quantum optics, highlighting current advances and future challenges. These exciting developments and vast advances will shape the field of quantum optics in the future.

Optically pumped quantum magnetometer with combined advantages of M X and M Z devices

NASA Astrophysics Data System (ADS)

Vershovskii, A. K.; Dmitriev, S. P.; Pazgalev, A. S.

2013-10-01

A scheme of the magnetometer that simultaneously employs M X and M R magnetic resonance signals with the latter signal related to the radial component of the rotating atomic magnetic moment is proposed and tested. With respect to the shape, dynamic characteristics, and metrological parameters, the M R signal is similar to the M X signal that is widely used in magnetometry but the former signal can be detected simultaneously with the M X signal using a common radio optical scheme. The proposed device represents a fast M X magnetometer with the phase in the feedback loop that is controlled by a slow precise M R magnetometer implemented using the same atoms. The device that can be based on a conventional M X sensor simultaneously exhibits a relatively short response time (τ ≤ 0.1 s) and the accuracy that is approximately equal to the resolution of the quantum M X discriminator at times of 10-100 s. The scheme is experimentally tested, and the statistic estimate of reproducibility is (1.2 ± 1.1) pT.

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

Laskowski, Lukasz, E-mail: lukasz.laskowski@kik.pcz.pl; Laskowska, Magdalena, E-mail: magdalena.laskowska@onet.pl; Jelonkiewicz, Jerzy, E-mail: jerzy.jelonkiewicz@kik.pcz.pl

The SBA-15 silica thin films containing copper ions anchored inside channels via propyl phosphonate groups are investigated. Such materials were prepared in the form of thin films, with hexagonally arranged pores, laying rectilinear to the substrate surface. However, in the case of our thin films, their free standing form allowed for additional research possibilities, that are not obtainable for typical thin films on a substrate. The structural properties of the samples were investigated by X-ray reflectometry, atomic force microscopy (AFM) and transmission electron microscopy (TEM). The molecular structure was examined by Raman spectroscopy supported by numerical simulations. Magnetic measurements (SQUIDmore » magnetometry and EPR spectroscopy) showed weak antiferromagnetic interactions between active units inside silica channels. Consequently, the pores arrangement was determined and the process of copper ions anchoring by propyl phosphonate groups was verified in unambiguous way. Moreover, the type of interactions between magnetic atoms was determined. - Highlights: • Functionalized free-standing SBA-15 thin films were synthesized for a first time. • Thin films synthesis procedure was described in details. • Structural properties of the films were thoroughly investigated and presented. • Magnetic properties of the novel material was investigated and presented.« less

Continuous Faraday measurement of spin precession without light shifts

NASA Astrophysics Data System (ADS)

Jasperse, M.; Kewming, M. Â. J.; Fischer, S. Â. N.; Pakkiam, P.; Anderson, R. Â. P.; Turner, L. Â. D.

2017-12-01

We describe a dispersive Faraday optical probe of atomic spin which performs a weak measurement of spin projection of a quantum gas continuously for more than one second. To date, focusing bright far-off-resonance probes onto quantum gases has proved invasive due to strong scalar and vector light shifts exerting dipole and Stern-Gerlach forces. We show that tuning the probe near the magic-zero wavelength at 790 nm between the fine-structure doublet of 87Rb cancels the scalar light shift, and careful control of polarization eliminates the vector light shift. Faraday rotations due to each fine-structure line reinforce at this wavelength, enhancing the signal-to-noise ratio for a fixed rate of probe-induced decoherence. Using this minimally invasive spin probe, we perform microscale atomic magnetometry at high temporal resolution. Spectrogram analysis of the Larmor precession signal of a single spinor Bose-Einstein condensate measures a time-varying magnetic field strength with 1 μ G accuracy every 5 ms; or, equivalently, makes more than 200 successive measurements each at 10 pT /√{Hz } sensitivity.

ArchaeoMapper Beta Test Report

DTIC Science & Technology

2008-06-01

instruments (Geoscan, Bartington, GSSI, etc.) are you familiar with? The Geoscan Fluxgate Magnetometer and the Goescan Resistance Meter 2. What software do...Magnetometry - Geoscan magnetometer , RM 15 Geoscan resistance meter, and GSSI SIR 20 Radar 2. What software do you typically use to process your...Geoscan, Bartington, GSSI, etc.) are you familiar with? Magnetometry - Geoscan magnetometer , RM 15 Geoscan resistance meter, and GSSI SIR 20 Radar

Magnetization reversal of an individual exchange-biased permalloy nanotube

NASA Astrophysics Data System (ADS)

Buchter, A.; Wölbing, R.; Wyss, M.; Kieler, O. F.; Weimann, T.; Kohlmann, J.; Zorin, A. B.; Rüffer, D.; Matteini, F.; Tütüncüoglu, G.; Heimbach, F.; Kleibert, A.; Fontcuberta i Morral, A.; Grundler, D.; Kleiner, R.; Koelle, D.; Poggio, M.

2015-12-01

We investigate the magnetization reversal mechanism in an individual permalloy (Py) nanotube (NT) using a hybrid magnetometer consisting of a nanometer-scale SQUID (nanoSQUID) and a cantilever torque sensor. The Py NT is affixed to the tip of a Si cantilever and positioned in order to optimally couple its stray flux into a Nb nanoSQUID. We are thus able to measure both the NT's volume magnetization by dynamic cantilever magnetometry and its stray flux using the nanoSQUID. We observe a training effect and a temperature dependence in the magnetic hysteresis, suggesting an exchange bias. We find a low blocking temperature TB=18 ±2 K, indicating the presence of a thin antiferromagnetic native oxide, as confirmed by x-ray absorption spectroscopy on similar samples. Furthermore, we measure changes in the shape of the magnetic hysteresis as a function of temperature and increased training. These observations show that the presence of a thin exchange-coupled native oxide modifies the magnetization reversal process at low temperatures. Complementary information obtained via cantilever and nanoSQUID magnetometry allows us to conclude that, in the absence of exchange coupling, this reversal process is nucleated at the NT's ends and propagates along its length as predicted by theory.

Sub-nano tesla magnetic imaging based on room-temperature magnetic flux sensors with vibrating sample magnetometry

NASA Astrophysics Data System (ADS)

Adachi, Yoshiaki; Oyama, Daisuke

2017-05-01

We developed a two-dimensional imaging method for weak magnetic charge distribution using a commercially available magnetic impedance sensor whose magnetic field resolution is 10 pT/Hz1/2 at 10 Hz. When we applied the vibrating sample magnetometry, giving a minute mechanical vibration to the sample and detecting magnetic signals modulated by the vibration frequency, the effects of 1/f noise and the environmental low-frequency band noise were suppressed, and a weak magnetic charge distribution was obtained without magnetic shielding. Furthermore, improvement in the spatial resolution was also expected when the signals were demodulated at the second harmonic frequency of the vibration. In this paper, a preliminary magnetic charge imaging using the vibrating sample magnetometry and its results are demonstrated.

Scaling analysis of [Fe(pyrazole)4]2[Nb(CN)8] molecular magnet

NASA Astrophysics Data System (ADS)

Konieczny, P.; Pełka, R.; Zieliński, P. M.; Pratt, F. L.; Pinkowicz, D.; Sieklucka, B.; Wasiutyński, T.

2013-10-01

The critical behaviour of the three dimensional (3D) molecular magnet {[FeII(pirazol)4]2[NbIV(CN)8]·4H2O}n has been studied with the use of experimental techniques such as ac magnetometry and zero field μSR spectroscopy. The sample orders magnetically below Tc=7.8 K. The measurements allowed to determine static exponents β, γ, and the dynamic exponent w. The resulting exponent values indicate that the studied system belongs to the universality class of the 3D Heisenberg model.

Identification of Curie temperature distributions in magnetic particulate systems

NASA Astrophysics Data System (ADS)

Waters, J.; Berger, A.; Kramer, D.; Fangohr, H.; Hovorka, O.

2017-09-01

This paper develops a methodology for extracting the Curie temperature distribution from magnetisation versus temperature measurements which are realizable by standard laboratory magnetometry. The method is integral in nature, robust against various sources of measurement noise, and can be adopted to a wide range of granular magnetic materials and magnetic particle systems. The validity and practicality of the method is demonstrated using large-scale Monte-Carlo simulations of an Ising-like model as a proof of concept, and general conclusions are drawn about its applicability to different classes of systems and experimental conditions.

Efficient tools for quantum metrology with uncorrelated noise

NASA Astrophysics Data System (ADS)

Kołodyński, Jan; Demkowicz-Dobrzański, Rafał

2013-07-01

Quantum metrology offers enhanced performance in experiments on topics such as gravitational wave-detection, magnetometry or atomic clock frequency calibration. The enhancement, however, requires a delicate tuning of relevant quantum features, such as entanglement or squeezing. For any practical application, the inevitable impact of decoherence needs to be taken into account in order to correctly quantify the ultimate attainable gain in precision. We compare the applicability and the effectiveness of various methods of calculating the ultimate precision bounds resulting from the presence of decoherence. This allows us to place a number of seemingly unrelated concepts into a common framework and arrive at an explicit hierarchy of quantum metrological methods in terms of the tightness of the bounds they provide. In particular, we show a way to extend the techniques originally proposed in Demkowicz-Dobrzański et al (2012 Nature Commun. 3 1063), so that they can be efficiently applied not only in the asymptotic but also in the finite number of particles regime. As a result, we obtain a simple and direct method, yielding bounds that interpolate between the quantum enhanced scaling characteristic for a small number of particles and the asymptotic regime, where quantum enhancement amounts to a constant factor improvement. Methods are applied to numerous models, including noisy phase and frequency estimation, as well as the estimation of the decoherence strength itself.

MR Measurement of Alloy Magnetic Susceptibility: Towards Developing Tissue-Susceptibility Matched Metals

PubMed Central

Astary, Garrett W.; Peprah, Marcus K.; Fisher, Charles R.; Stewart, Rachel L.; Carney, Paul R.; Sarntinoranont, Malisa; Meisel, Mark W.; Manuel, Michele V.; Mareci, Thomas H.

2013-01-01

Magnetic resonance imaging (MRI) can be used to relate structure to function mapped with high-temporal resolution electrophysiological recordings using metal electrodes. Additionally, MRI may be used to guide the placement of electrodes or conductive cannula in the brain. However, the magnetic susceptibility mismatch between implanted metals and surrounding brain tissue can severely distort MR images and spectra, particularly in high magnetic fields. In this study, we present a modified MR method of characterizing the magnetic susceptibility of materials that can be used to develop biocompatible, metal alloys that match the susceptibility of host tissue in order to eliminate MR distortions proximal to the implant. This method was applied at 4.7 T and 11.1 T to measure the susceptibility of a model solid-solution alloy of Cu and Sn, which is inexpensive but not biocompatible. MR-derived relative susceptibility values of four different compositions of Cu-Sn alloy deviated by less than 3.1% from SQUID magnetometry absolute susceptibility measurements performed up to 7 T. These results demonstrate that the magnetic susceptibility varies linearly with atomic percentage in these solid-solution alloys, but are not simply the weighted average of Cu and Sn magnetic susceptibilities. Therefore susceptibility measurements are necessary when developing susceptibility-matched, solid-solution alloys for the elimination of susceptibility artifacts in MR. This MR method does not require any specialized equipment and is free of geometrical constraints, such as sample shape requirements associated with SQUID magnetometry, so the method can be used at all stages of fabrication to guide the development of a susceptibility matched, biocompatible device. PMID:23727587

Disentangling the Mn moments on different sublattices in the half-metallic ferrimagnet Mn3?xCoxGa

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

Klaer, P.; Jenkins, C.A.; Alijani, V.

2011-05-03

Ferrimagnetic Mn{sub 3-x}Co{sub x}Ga compounds have been investigated by magnetic circular dichroism in x-ray absorption (XMCD). Compounds with x > 0.5 crystallize in the CuHg{sub 2}Ti structure. A tetragonal distortion of the cubic structure occurs for x {le} 0.5. For the cubic phase, magnetometry reveals a linearly increasing magnetization of 2x Bohr magnetons per formula unit obeying the generalized Slater-Pauling rule. XMCD confirms the ferrimagnetic character with Mn atoms occupying two different sublattices with antiparallel spin orientation and different degrees of spin localization and identifies the region 0.6 < x {le} 0.8 as most promising for a high spin polarizationmore » at the Fermi level. Individual Mn moments on inequivalent sites are compared to theoretical predictions.« less

Non-destructive imaging of spinor Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Samson, E.; Vinit, Anshuman; Raman, Chandra

2013-05-01

We present a non-destructive differential imaging technique that enables the observation of the spatial distribution of the magnetization in a spinor Bose-Einstein condensate (BEC) through a Faraday rotation protocol. In our procedure, we utilize a linearly polarized, far-detuned laser beam as our imaging probe, and upon interaction with the condensate, the beam's polarization direction undergoes Faraday rotation. A differential measurement of the orthogonal polarization components of the rotated beam provides a spatial map of the net magnetization density within the BEC. The non-destructive aspect of this method allows for continuous imaging of the condensate. This imaging technique will prove useful in experimental BEC studies, such as spatially resolved magnetometry using ultracold atoms, and non-destructive imaging of non-equilibrium behavior of antiferromagnetic spinor condensates. This work was supported by the DARPA QuASAR program through a grant from ARO.

Probing the magnetic moment of FePt micromagnets prepared by focused ion beam milling

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

Overweg, H. C.; Haan, A. M. J. den; Eerkens, H. J.

2015-08-17

We investigate the degradation of the magnetic moment of a 300 nm thick FePt film induced by Focused Ion Beam (FIB) milling. A 1 μm × 8 μm rod is milled out of a film by a FIB process and is attached to a cantilever by electron beam induced deposition. Its magnetic moment is determined by frequency-shift cantilever magnetometry. We find that the magnetic moment of the rod is μ = 1.1 ± 0.1 × 10{sup −12} Am{sup 2}, which implies that 70% of the magnetic moment is preserved during the FIB milling process. This result has important implications for atom trapping and magnetic resonance force microscopy, which are addressed inmore » this paper.« less

Hastatic Order in URu2Si2

NASA Astrophysics Data System (ADS)

Chandra, Premala; Coleman, Piers; Flint, Rebecca

2012-02-01

The hidden order that develops below 17.5K in URu2Si2 has eluded identification for twenty-five years. Here we show that the recent observation of Ising quasiparticles in URu2Si2 suggests a novel ``hastatic order'' (Latin:spear),with a two-component order parameter describing hybridization between electrons and the Ising 5f^2 states of the uranium atoms. Hastatic order breaks time-reversal symmetry by mixing states of different Kramers parity; this accounts for the magnetic anomalies observed in torque magnetometry and the pseudo-Goldstone mode observed in neutron scattering. Hastatic order is predicted to induce a basal-plane magnetic moment of order 0.01μB, a gap to longitudinal spin fluctuations that vanishes continuously at the first-order antiferromagnetic transition and a narrow resonant nematic feature in the scanning tunneling spectra.

Magnetic properties of low-moment ferrimagnetic Heusler Cr2CoGa thin films grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Jamer, Michelle E.; Sterbinsky, George E.; Stephen, Gregory M.; DeCapua, Matthew C.; Player, Gabriel; Heiman, Don

2016-10-01

Recently, theorists have predicted many materials with a low magnetic moment and large spin-polarization for spintronic applications. These compounds are predicted to form in the inverse Heusler structure; however, many of these compounds have been found to phase segregate. In this study, ordered Cr2CoGa thin films were synthesized without phase segregation using molecular beam epitaxy. The present as-grown films exhibit a low magnetic moment from antiferromagnetically coupled Cr and Co atoms as measured with superconducting quantum interface device magnetometry and soft X-ray magnetic circular dichroism. Electrical measurements demonstrated a thermally-activated semiconductor-like resistivity component with an activation energy of 87 meV. These results confirm spin gapless semiconducting behavior, which makes these thin films well positioned for future devices.

Magnetic properties of low-moment ferrimagnetic Heusler Cr 2CoGa thin films grown by molecular beam epitaxy

DOE PAGES

Jamer, Michelle E.; Sterbinsky, George E.; Stephen, Gregory M.; ...

2016-10-31

Recently, theorists have predicted many materials with a low magnetic moment and large spin-polarization for spintronic applications. These compounds are predicted to form in the inverse Heusler structure; however, many of these compounds have been found to phase segregate. In this study, ordered Cr 2CoGa thin films were synthesized without phase segregation using molecular beam epitaxy. The present as-grown films exhibit a low magnetic moment from antiferromagnetically coupled Cr and Co atoms as measured with superconducting quantum interface device magnetometry and soft X-ray magnetic circular dichroism. Electrical measurements demonstrated a thermally-activated semiconductor-like resistivity component with an activation energy of 87more » meV. Finally, these results confirm spin gapless semiconducting behavior, which makes these thin films well positioned for future devices.« less

Proposal for the detection of magnetic monopoles in spin ice via nanoscale magnetometry

NASA Astrophysics Data System (ADS)

Kirschner, Franziska K. K.; Flicker, Felix; Yacoby, Amir; Yao, Norman Y.; Blundell, Stephen J.

2018-04-01

We present a proposal for applying nanoscale magnetometry to the search for magnetic monopoles in the spin ice materials holmium and dysprosium titanate. Employing Monte Carlo simulations of the dipolar spin ice model, we find that when cooled to below 1.5 K these materials exhibit a sufficiently low monopole density to enable the direct observation of magnetic fields from individual monopoles. At these temperatures we demonstrate that noise spectroscopy can capture the intrinsic fluctuations associated with monopole dynamics, allowing one to isolate the qualitative effects associated with both the Coulomb interaction between monopoles and the topological constraints implied by Dirac strings. We describe in detail three different nanoscale magnetometry platforms (muon spin rotation, nitrogen-vacancy defects, and nanoscale arrays of superconducting quantum interference devices) that can be used to detect monopoles in these experiments and analyze the advantages of each.

Detecting molecules and cells labeled with magnetic particles using an atomic magnetometer

NASA Astrophysics Data System (ADS)

Yu, Dindi; Ruangchaithaweesuk, Songtham; Yao, Li; Xu, Shoujun

2012-09-01

The detection of magnetically labeled molecules and cells involves three essential parameters: sensitivity, spatial resolution, and molecular specificity. We report on the use of atomic magnetometry and its derivative techniques to achieve high performance in terms of all these parameters. With a sensitivity of 80 fT/√Hz for dc magnetic fields, we show that 7,000 streptavidin-conjugated magnetic microparticles magnetized by a permanent magnet produce a magnetic field of 650 pT; this result predicts that a single such particle can be detected during one second of signal averaging. Spatial information is obtained using a scanning magnetic imaging scheme. The spatial resolution is 20 μm with a detection distance of more than 1 cm; this distance is much longer than that in previous reports. The molecular specificity is achieved using force-induced remnant magnetization spectroscopy, which currently uses an atomic magnetometer for detection. As an example, we perform measurement of magnetically labeled human CD4+ T cells, whose count in the blood is the diagnostic criterion for human immunodeficiency virus infection. Magnetic particles that are specifically bound to the cells are resolved from nonspecifically bound particles and quantitatively correlate with the number of cells. The magnetic particles have an overall size of 2.8 μm, with a magnetic core in nanometer regime. The combination of our techniques is predicted to be useful in molecular and cellular imaging.

AMT measurements compared with gravimetry and magnetometry for structural study of a sedimentary basin: Letlhakeng-Botlhapatlou groundwater project, Botswana

NASA Astrophysics Data System (ADS)

Bourgeois, B.; Mathieu, F.; Vachette, C.; Vaubourg, P.

1994-02-01

Within the framework of hydrogeological studies for additional water supply to the main towns of Botswana, the BRGM company has carried out a multimethod geophysical survey of a large sedimentary basin in the Kalahari desert, for the purpose of assessing its water resources. On a regional scale, gravimetry, magnetometry and audio-magnetotellurics (AMT) were used to determine the structure of the basin, which is intensely faulted into horsts and grabens. Next, a number of favourable areas were selected for detailed profiling with horizontal portable loop EM (HLEM) and DC electrical arrays to locate accurately the fractured zones at the edges of grabens, the targets for exploratory drillholes. The AMT method proved to be the most effective for mapping the basement of the basin, thanks to the good resistivity contrast between the resistive basement and its conductive cover, and to the regional constancy of sedimentary organisation of the cover. The presence of the uniformly resistive Kalahari Sands at the top of the cover was also very favourable, protecting AMT data from troublesome "static" effects. These good conditions enabled a fast and innovative quantitative interpretation of AMT soundings, determined by borehole calibration and based on the reading of the apparent resistivity at a single frequency (10 Hz).

Comparative study of the magnetic properties of La3Ni2B‧O9 for B‧ = Nb, Taor Sb

NASA Astrophysics Data System (ADS)

Chin, Chun-Mann; Battle, Peter D.; Blundell, Stephen J.; Hunter, Emily; Lang, Franz; Hendrickx, Mylène; Paria Sena, Robert; Hadermann, Joke

2018-02-01

Polycrystalline samples of La3Ni2NbO9 and La3Ni2TaO9 have been characterised by X-ray and neutron diffraction, electron microscopy, magnetometry and muon spin relaxation (μSR); the latter technique was also applied to La3Ni2SbO9. On the length scale of a neutron diffraction experiment, the six-coordinate sites of the monoclinic perovskite structure are occupied in a 1:1 ordered manner by Ni and a random ⅓Ni/⅔B‧ mixture. Electron microscopy demonstrated that this 1:1 ordering is maintained over microscopic distances, although diffuse scattering indicative of short-range ordering on the mixed site was observed. No magnetic Bragg scattering was observed in neutron diffraction patterns collected from La3Ni2B‧O9 (B‧ = Nb or Ta) at 5 K although in each case μSR identified the presence of static spins below 30 K. Magnetometry showed that La3Ni2NbO9 behaves as a spin glass below 29 K but significant short-range interactions are present in La3Ni2TaO9 below 85 K. The contrasting properties of these compounds are discussed in terms of their microstructure.

X-ray magnetic spectroscopy of MBE-grown Mn-doped Bi{sub 2}Se{sub 3} thin films

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

Collins-McIntyre, L. J.; Watson, M. D.; Zhang, S. L.

2014-12-15

We report the growth of Mn-doped Bi{sub 2}Se{sub 3} thin films by molecular beam epitaxy (MBE), investigated by x-ray diffraction (XRD), atomic force microscopy (AFM), SQUID magnetometry and x-ray magnetic circular dichroism (XMCD). Epitaxial films were deposited on c-plane sapphire substrates by co-evaporation. The films exhibit a spiral growth mechanism typical of this material class, as revealed by AFM. The XRD measurements demonstrate a good crystalline structure which is retained upon doping up to ∼7.5 atomic-% Mn, determined by Rutherford backscattering spectrometry (RBS), and show no evidence of the formation of parasitic phases. However an increasing interstitial incorporation of Mnmore » is observed with increasing doping concentration. A magnetic moment of 5.1 μ{sub B}/Mn is obtained from bulk-sensitive SQUID measurements, and a much lower moment of 1.6 μ{sub B}/Mn from surface-sensitive XMCD. At ∼2.5 K, XMCD at the Mn L{sub 2,3} edge, reveals short-range magnetic order in the films and indicates ferromagnetic order below 1.5 K.« less

Magnetic proximity effect at the interface between a cuprate superconductor and an oxide spin valve

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

Ovsyannikov, G. A., E-mail: gena@hitech.cplire.ru; Demidov, V. V.; Khaydukov, Yu. N.

2016-04-15

A heterostructure that consists of the YBa{sub 2}Cu{sub 3}O{sub 7–δ} cuprate superconductor and the SrRuO{sub 3}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} ruthenate/manganite spin valve is investigated using SQUID magnetometry, ferromagnetic resonance, and neutron reflectometry. It is shown that a magnetic moment is induced due to the magnetic proximity effect in the superconducting part of the heterostructure, while the magnetic moment in the composite ferromagnetic interlayer is suppressed. The magnetization emerging in the superconductor coincides in order of magnitude with the results of calculations taking into account the induced magnetic moment of Cu atoms because of orbital reconstruction at the interface between themore » superconductor and the ferromagnet, as well as with the results of the model taking into account the variations in the density of states at a distance on the order of the coherence length in the superconductor. The experimentally obtained characteristic penetration depth of the magnetic moment in the superconductor considerably exceeds the coherence length of the cuprate superconductor, which indicates the predominance of the mechanism of induced magnetic moment of Cu atoms.« less

Shape anisotropy in patterned ferromagnetic GaMnAsP films with perpendicular anisotropy

NASA Astrophysics Data System (ADS)

Liu, X.; Li, X.; Dong, S.-N.; Dobrowolska, M.; Furdyna, J. K.

2018-05-01

We investigate the effects of physical dimensions on the behavior of magnetic anisotropy in lithographically-fabricated nanoscale squares of the ferromagnetic semiconductor GaMnAsP using SQUID magnetometry and ferromagnetic resonance (FMR). Both measurements show that perpendicular magnetic anisotropy is strongly affected by the size of the ferromagnetic nano-scale elements, while their Curie temperature and their in-plane anisotropy remain unchanged in the range studied. In addition to uniform-mode FMR, we observe a series of spin-wave resonances, whose analysis suggests that surface anisotropy plays an important role in determining the properties of nanoscale magnets.

Tuning of Magnetic Anisotropy in Hexairon(III) Rings by Host-Guest Interactions: An Investigation by High-Field Torque Magnetometry.

PubMed

Cornia; Affronte; Jansen; Abbati; Gatteschi

1999-08-01

Full chemical control of magnetic anisotropy in hexairon(III) rings can be achieved by varying the size of the guest alkali metal ion. Dramatically different anisotropies characterize the Li(I) and Na(I) complexes of [Fe(6)(OMe)(12)(L)(6)] (L=1,3-propanedione derivatives; a schematic representation of the Li(I) complex is shown), as revealed by high-field torque magnetometry-Iron: (g), oxygen: o, carbon: o, Li(+): plus sign in circle.

Nonlinear optical magnetometry with accessible in situ optical squeezing

DOE PAGES

Otterstrom, N.; Pooser, R. C.; Lawrie, B. J.

2014-11-14

In this paper, we demonstrate compact and accessible squeezed-light magnetometry using four-wave mixing in a single hot rubidium vapor cell. The strong intrinsic coherence of the four-wave mixing process results in nonlinear magneto-optical rotation (NMOR) on each mode of a two-mode relative-intensity squeezed state. Finally, this framework enables 4.7 dB of quantum noise reduction while the opposing polarization rotation signals of the probe and conjugate fields add to increase the total signal to noise ratio.

Synthesis and characterization of polyethylenimine-based iron oxide composites as novel contrast agents for MRI.

PubMed

Masotti, A; Pitta, A; Ortaggi, G; Corti, M; Innocenti, C; Lascialfari, A; Marinone, M; Marzola, P; Daducci, A; Sbarbati, A; Micotti, E; Orsini, F; Poletti, G; Sangregorio, C

2009-04-01

Use of polyethylenimines (PEIs) of different molecular weight and selected carboxylated-PEI derivatives (PEI-COOH) in the synthesis and stabilization of iron oxide nanoparticles, to obtain possible multifunctional contrast agents. Oxidation of Fe(II) at slightly elevated pH and temperature resulted in the formation of highly soluble and stable nanocomposites of iron oxides and polymer. Composites were characterized and studied by atomic force microscopy (AFM), transmission electron microscopy (TEM), X-ray diffractometry, AC and DC magnetometry, NMR relaxometry and magnetic resonance imaging (MRI). From AFM the dimensions of the aggregates were found to be in the ~150-250 nm size region; the mean diameter of the magnetic core of the compounds named PEI-25, PEI-500 and PEI-COOH60 resulted d approximately 20 +/- 5 nm for PEI-25, d approximately 9.5 +/- 1.0 nm for PEI-500 and d approximately 6.8 +/- 1.0 nm for PEI-COOH60. In PEI-COOH60 TEM and X-ray diffractometry revealed small assemblies of mineral magnetic cores with clear indications that the main constituents are maghemite and/or magnetite as confirmed by AC and DC SQUID magnetometry. For PEI-COOH60, the study of NMR-dispersion profiles revealed r (1) and r (2) relaxivities comparable to superparamagnetic iron-oxide commercial compounds in the whole investigated frequency range 7 < or = nu < or = 212 MHz. PEI-25 was studied as possible MRI contrast agent (CA) to map the cerebral blood volume (CBV) and cerebral blood flow (CBF) in an animal model obtaining promising results. The reported compounds may be further functionalized to afford novel multifunctional systems for biomedical applications.

Intrinsic magnetic properties of bimetallic nanoparticles elaborated by cluster beam deposition.

PubMed

Dupuis, V; Khadra, G; Hillion, A; Tamion, A; Tuaillon-Combes, J; Bardotti, L; Tournus, F

2015-11-14

In this paper, we present some specific chemical and magnetic order obtained very recently on characteristic bimetallic nanoalloys prepared by mass-selected Low Energy Cluster Beam Deposition (LECBD). We study how the competition between d-atom hybridization, complex structure, morphology and chemical affinity affects their intrinsic magnetic properties at the nanoscale. The structural and magnetic properties of these nanoalloys were investigated using various experimental techniques that include High Resolution Transmission Electron Microscopy (HRTEM), Superconducting Quantum Interference Device (SQUID) magnetometry, as well as synchrotron techniques such as Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Magnetic Circular Dichroism (XMCD). Depending on the chemical nature of the nanoalloys we observe different magnetic responses compared to their bulk counterparts. In particular, we show how specific relaxation in nanoalloys impacts their magnetic anisotropy; and how finite size effects (size reduction) inversely enhance their magnetic moment.

Insights on the origin of the Tb5Ge4 magnetocaloric effect

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

Belo, J. H.; Barbosa, M. B.; Pires, A. L.

2017-05-01

In this report the magnetic, atomic structures and spin-lattice coupling have been thoroughly studied through high magnetic field magnetometry, Synchrotron X-ray diffraction under applied magnetic field and magnetostriction measurements in the Tb5Ge4 compounds. A field induced phase transition from an antiferromagnetic towards a ferromagnetic ordering was confirmed but with absence of structural transformation. This absence has been confirmed experimentally through synchrotron x-ray diffraction under applied field (up to 30 T). Moreover, this absence was explained via a thermodynamic free energy model: first principles calculations determined a large energy gap (ΔE=0.65 eV) between the two possible structures, O(I) and O(II). Frommore » magnetic and structural properties, a H-T phase diagram has been proposed for Tb5Ge4. Finally it was observed a large magnetostriction (up to 600 ppm) induced by ΔH=7 T.« less

Additive patterning of ion-beam-sputtered non-conformal Ni80Fe20 and Co70Fe30 magnetic films

NASA Astrophysics Data System (ADS)

Redondo, C.; Moralejo, S.; Castaño, F.; Lee, W.; Nielsch, K.; Ross, C. A.; Castaño, F. J.

2006-04-01

Additive patterning processes of magnetic films grown using an ion-beam sputter (IBS) system designed to produce non-conformal films are described. The effects of the ion-gun beam current and Ar pressure on the sputtering rates and roughness of Ni80Fe20 and Co70Fe30 magnetic thin films are investigated using atomic-force microscopy (AFM) and the films' magnetic properties are measured using spatially resolved magneto-optical magnetometry. By tailoring the plasma solid angle, non-conformal film growth allows for simple additive patterning down to lateral dimensions ranging from a few microns to the deep-submicron regime, using templates defined by photolithography or electron-beam lithography, and shadow masks created using templated self-assembly. The magnetization reversal exhibited by patterned sub-200 nm nanodisc arrays with different lateral edge-roughness will be discussed.

The ferromagnetic monolayer Fe(110) on W(110)

NASA Astrophysics Data System (ADS)

Gradmann, U.; Liu, G.; Elmers, H. J.; Przybylski, M.

1990-07-01

Ferromagnetic order in the pseudomorphic monolayer Fe(110) on W(110) was analyzed experimentally using Conversion Electron Mössbauer Spectroscopy (CEMS) and Torsion Oscillation Magnetometry (TOM). The monolayer is thermodynamically stable, crystallizes to large monolayer patches at elevated temperatures and therefore forms an excellent approximation to the ideal monolayer structure. It is ferromagnetic below a Curie-temperature T c,mono, which is given by (282±3) K for the Ag-coated layer, (290±10) K for coating by Cu, Ag or Au and ≈210 K for the free monolayer. For the Ag-coated monolayer, ground state hyperfine field B hf (0)=(11.9±0.3) T and magnetic moment per atom μ=2.53 μB could be determined, in fair agreement with theoretical predictions. Unusual properties of the phase transition are detected by the combination of both experimental techniques. Strong magnetic anisotropies, which are essential for ferromagnetic order, are determined by CEMS.

Growth, electrical, structural, and magnetic properties of half-Heusler CoT i1 -xF exSb

NASA Astrophysics Data System (ADS)

Harrington, S. D.; Rice, A. D.; Brown-Heft, T. L.; Bonef, B.; Sharan, A.; McFadden, A. P.; Logan, J. A.; Pendharkar, M.; Feldman, M. M.; Mercan, O.; Petukhov, A. G.; Janotti, A.; Colakerol Arslan, L.; Palmstrøm, C. J.

2018-01-01

Epitaxial thin films of the substitutionally alloyed half-Heusler series CoT i1 -xF exSb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0 ≤x ≤1.0 . The influence of Fe on the structural, electronic, and magnetic properties was studied and compared to that expected from density functional theory. The films are epitaxial and single crystalline, as measured by reflection high-energy electron diffraction and x-ray diffraction. Using in situ x-ray photoelectron spectroscopy, only small changes in the valence band are detected for x ≤0.5 . For films with x ≥0.05 , ferromagnetism is observed in SQUID magnetometry with a saturation magnetization that scales linearly with Fe content. A dramatic decrease in the magnetic moment per formula unit occurs when the Fe is substitutionally alloyed on the Co site indicating a strong dependence on the magnetic moment with site occupancy. A crossover from both in-plane and out-of-plane magnetic moments to only in-plane moment occurs for higher concentrations of Fe. Ferromagnetic resonance indicates a transition from weak to strong interaction with a reduction in inhomogeneous broadening as Fe content is increased. Temperature-dependent transport reveals a semiconductor to metal transition with thermally activated behavior for x ≤0.5 . Anomalous Hall effect and large negative magnetoresistance (up to -18.5% at 100 kOe for x =0.3 ) are observed for higher Fe content films. Evidence of superparamagnetism for x =0.3 and 0.2 suggests, for moderate levels of Fe, that demixing of the CoT i1 -xF exSb films into Fe-rich and Fe-deficient regions may be present. Atom probe tomography is used to examine the Fe distribution in an x =0.3 film. Statistical analysis reveals a nonhomogeneous distribution of Fe atoms throughout the film, which is used to explain the observed magnetic and electrical behavior.

Vector magnetometry of Fe/Cr/Fe trilayers with biquadratic coupling

NASA Astrophysics Data System (ADS)

Mansell, R.; Petit, D.; Fernández-Pacheco, A.; Lee, J. H.; Chin, S.-L.; Lavrijsen, R.; Cowburn, R. P.

2017-05-01

The magnetic reversal of epitaxial Fe/Cr/Fe trilayer samples grown on GaAs is studied. In wedged samples both long and short period coupling oscillations associated with Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling in Cr are seen in the easy axis saturation fields. By using vector vibrating sample magnetometry and both longitudinal and transverse magneto-optical Kerr effect magnetometry we are able to determine the exact reversal path of both the magnetic layers. Changes in the reversal behavior are seen with sub-monolayer changes of the thickness of the Cr interlayer. The two main reversal paths are described in terms of whether the reversal is dominated by bilinear RKKY coupling, which leads to an antiparallel state at remanence or by biquadratic coupling which leads to a 90 degree alignment of layers at remanence. The changing reversal behaviour is discussed with respect to the possibility of using such systems for multilayer memory applications and, in particular, the limits on the required accuracy of the sample growth.

First order reversal curves (FORC) analysis of individual magnetic nanostructures using micro-Hall magnetometry.

PubMed

Pohlit, Merlin; Eibisch, Paul; Akbari, Maryam; Porrati, Fabrizio; Huth, Michael; Müller, Jens

2016-11-01

Alongside the development of artificially created magnetic nanostructures, micro-Hall magnetometry has proven to be a versatile tool to obtain high-resolution hysteresis loop data and access dynamical properties. Here we explore the application of First Order Reversal Curves (FORC)-a technique well-established in the field of paleomagnetism for studying grain-size and interaction effects in magnetic rocks-to individual and dipolar-coupled arrays of magnetic nanostructures using micro-Hall sensors. A proof-of-principle experiment performed on a macroscopic piece of a floppy disk as a reference sample well known in the literature demonstrates that the FORC diagrams obtained by magnetic stray field measurements using home-built magnetometers are in good agreement with magnetization data obtained by a commercial vibrating sample magnetometer. We discuss in detail the FORC diagrams and their interpretation of three different representative magnetic systems, prepared by the direct-write Focused Electron Beam Induced Deposition (FEBID) technique: (1) an isolated Co-nanoisland showing a simple square-shaped hysteresis loop, (2) a more complex CoFe-alloy nanoisland exhibiting a wasp-waist-type hysteresis, and (3) a cluster of interacting Co-nanoislands. Our findings reveal that the combination of FORC and micro-Hall magnetometry is a promising tool to investigate complex magnetization reversal processes within individual or small ensembles of nanomagnets grown by FEBID or other fabrication methods. The method provides sub-μm spatial resolution and bridges the gap of FORC analysis, commonly used for studying macroscopic samples and rather large arrays, to studies of small ensembles of interacting nanoparticles with the high moment sensitivity inherent to micro-Hall magnetometry.

Differences in elasticity of vinculin-deficient F9 cells measured by magnetometry and atomic force microscopy

NASA Technical Reports Server (NTRS)

Goldmann, W. H.; Galneder, R.; Ludwig, M.; Xu, W.; Adamson, E. D.; Wang, N.; Ezzell, R. M.; Ingber, D. E. (Principal Investigator)

1998-01-01

We have investigated a mouse F9 embryonic carcinoma cell line, in which both vinculin genes were inactivated by homologous recombination, that exhibits defective adhesion and spreading [Coll et al. (1995) Proc. Natl. Acad. Sci. USA 92, 9161-9165]. Using a magnetometer and RGD-coated magnetic microbeads, we measured the local effect of loss and replacement of vinculin on mechanical force transfer across integrins. Vinculin-deficient F9Vin(-/-) cells showed a 21% difference in relative stiffness compared to wild-type cells. This was restored to near wild-type levels after transfection and constitutive expression of increasing amounts of vinculin into F9Vin(-/-) cells. In contrast, the transfection of vinculin constructs deficient in amino acids 1-288 (containing the talin- and alpha-actinin-binding site) or substituting tyrosine for phenylalanine (phosphorylation site, amino acid 822) in F9Vin(-/-) cells resulted in partial restoration of stiffness. Using atomic force microscopy to map the relative elasticity of entire F9 cells by 128 x 128 (n = 16,384) force scans, we observed a correlation with magnetometer measurements. These findings suggest that vinculin may promote cell adhesions and spreading by stabilizing focal adhesions and transferring mechanical stresses that drive cytoskeletal remodeling, thereby affecting the elastic properties of the cell.

Postural stability of preoperative acoustic neuroma patients assessed by sway magnetometry: are they unsteady?

PubMed

Collins, Melanie M; Johnson, Ian J M; Clifford, Elaine; Birchall, John P; O'Donoghue, Gerald M

2003-04-01

The objective was to evaluate the preoperative postural stability of acoustic neuroma patients using sway magnetometry. Prospective two-center study. Fifty-one patients (mean age, 53 years) diagnosed with unilateral acoustic neuroma on magnetic resonance imaging at two tertiary referral centers were studied. Preoperatively, each patient had sway patterns (with eyes open and with eyes closed, and standing on foam) recorded for 120 seconds by sway magnetometry. Path length for 30 seconds was calculated. The Romberg coefficient (path length with eyes open divided by path length with eyes closed) was calculated. Forty-four percent of patients had abnormal path lengths with eyes open, and 49% with eyes closed. The Romberg coefficients were significantly lower than normal (P <.001; 95% CI, 0.19-0.87). Mean Romberg coefficient was 0.59 (normal value = 0.73), and all patients had a coefficient of less than 1. Half of preoperative acoustic neuroma patients are unsteady, exhibiting abnormal sway patterns based on path length measurements. The increase in sway path length demonstrable in normal subjects with eyes closed was significantly exaggerated in patients with acoustic neuroma.

Prospects on the application of HTS SQUID magnetometry to nondestructive evaluation (NDE)

NASA Astrophysics Data System (ADS)

Weinstock, H.

1993-04-01

In light of recent advances in the fabrication of low-noise HTS SQUIDs, a review is presented on the use of LTS SQUID magnetometry for nondestructive evaluation (NDE). Examples are given on applications relating to defects in steel, subsurface cracks in aircraft frames, and voids in non-metallic structures. HTS SQUIDs may make a significant difference in the acceptance of these applications because sensing coils will be closer to a sample under test, there will be greater instrument portability and the problem of bringing liquid helium to remote locations will be eliminated.

New Method for Torque Magnetometry Using a Commercially Available Membrane-Type Surface Stress Sensor

NASA Astrophysics Data System (ADS)

Takahashi, Hideyuki; Ishimura, Kento; Okamoto, Tsubasa; Ohmichi, Eiji; Ohta, Hitoshi

2017-06-01

We present a new method for torque magnetometry by using a commercially available membrane-type surface stress sensor (MSS). This sensor has a silicon membrane supported by four beams in which piezoresistive paths are integrated. Although originally developed as a gas sensor, it can be used for torque measurement by modifying its on-chip aluminum interconnections. We demonstrate the magnetic-torque measurement of submillimeter-sized crystals at low temperature and in strong magnetic fields. This MSS can observe de-Haas-van-Alphen oscillation, which confirms that it can be an alternative tool for self-sensitive microcantilevers.

μ SR and magnetometry study of superconducting 5% Pt-doped IrTe 2

DOE PAGES

Wilson, M. N.; Medina, T.; Munsie, T. J.; ...

2016-11-11

In this paper, we present magnetometry and muon spin rotation ( SR) measurements of the superconducting dichalcogenide Ir 0.95Pt 0.05Te 2. From both sets of measurements we calculate the penetration depth and thence superfluid density as a function of temperature. The temperature dependence of the superfluid densities from both sets of data indicate fully gapped superconductivity that can be fit to a conventional s-wave model and yield fitting parameters consistent with a BCS weak coupling superconductor. Finally, we therefore see no evidence for exotic superconductivity in Ir 0.95Pt 0.05Te 2.

μ SR and magnetometry study of superconducting 5% Pt-doped IrTe2

NASA Astrophysics Data System (ADS)

Wilson, M. N.; Medina, T.; Munsie, T. J.; Cheung, S. C.; Frandsen, B. A.; Liu, L.; Yan, J.; Mandrus, D.; Uemura, Y. J.; Luke, G. M.

2016-11-01

We present magnetometry and muon spin rotation (μ SR ) measurements of the superconducting dichalcogenide Ir0.95Pt0.05Te2 . From both sets of measurements, we calculate the penetration depth and thence superfluid density as a function of temperature. The temperature dependence of the superfluid densities from both sets of data indicate fully gapped superconductivity that can be fit to a conventional s -wave model and yield fitting parameters consistent with a BCS weak coupling superconductor. We therefore see no evidence for exotic superconductivity in Ir0.95Pt0.05Te2 .

Linear arrangements of nano-scale ferromagnetic particles spontaneously formed in a copper-base Cu-Ni-Co alloy

NASA Astrophysics Data System (ADS)

Sakakura, Hibiki; Kim, Jun-Seop; Takeda, Mahoto

2018-03-01

We have investigated the influence of magnetic interactions on the microstructural evolution of nano-scale granular precipitates formed spontaneously in an annealed Cu-20at%Ni-5at%Co alloy and the associated changes of magnetic properties. The techniques used included transmission electron microscopy, superconducting quantum interference device (SQUID) magnetometry, magneto-thermogravimetry (MTG), and first-principles calculations based on the method of Koster-Korringa-Rostker with the coherent potential approximation. Our work has revealed that the nano-scale spherical and cubic precipitates which formed on annealing at 873 K and 973 K comprise mainly cobalt and nickel with a small amount of copper, and are arranged in the 〈1 0 0〉 direction of the copper matrix. The SQUID and MTG measurements suggest that magnetic properties such as coercivity and Curie temperature are closely correlated with the microstructure. The combination of results suggests that magnetic interactions between precipitates during annealing can explain consistently the observed precipitation phenomena.

First order reversal curves (FORC) analysis of individual magnetic nanostructures using micro-Hall magnetometry

NASA Astrophysics Data System (ADS)

Pohlit, Merlin; Eibisch, Paul; Akbari, Maryam; Porrati, Fabrizio; Huth, Michael; Müller, Jens

2016-11-01

Alongside the development of artificially created magnetic nanostructures, micro-Hall magnetometry has proven to be a versatile tool to obtain high-resolution hysteresis loop data and access dynamical properties. Here we explore the application of First Order Reversal Curves (FORC)—a technique well-established in the field of paleomagnetism for studying grain-size and interaction effects in magnetic rocks—to individual and dipolar-coupled arrays of magnetic nanostructures using micro-Hall sensors. A proof-of-principle experiment performed on a macroscopic piece of a floppy disk as a reference sample well known in the literature demonstrates that the FORC diagrams obtained by magnetic stray field measurements using home-built magnetometers are in good agreement with magnetization data obtained by a commercial vibrating sample magnetometer. We discuss in detail the FORC diagrams and their interpretation of three different representative magnetic systems, prepared by the direct-write Focused Electron Beam Induced Deposition (FEBID) technique: (1) an isolated Co-nanoisland showing a simple square-shaped hysteresis loop, (2) a more complex CoFe-alloy nanoisland exhibiting a wasp-waist-type hysteresis, and (3) a cluster of interacting Co-nanoislands. Our findings reveal that the combination of FORC and micro-Hall magnetometry is a promising tool to investigate complex magnetization reversal processes within individual or small ensembles of nanomagnets grown by FEBID or other fabrication methods. The method provides sub-μm spatial resolution and bridges the gap of FORC analysis, commonly used for studying macroscopic samples and rather large arrays, to studies of small ensembles of interacting nanoparticles with the high moment sensitivity inherent to micro-Hall magnetometry.

Suppression of the Nonlinear Zeeman Effect and Heading Error in Earth-Field-Range Alkali-Vapor Magnetometers.

PubMed

Bao, Guzhi; Wickenbrock, Arne; Rochester, Simon; Zhang, Weiping; Budker, Dmitry

2018-01-19

The nonlinear Zeeman effect can induce splitting and asymmetries of magnetic-resonance lines in the geophysical magnetic-field range. This is a major source of "heading error" for scalar atomic magnetometers. We demonstrate a method to suppress the nonlinear Zeeman effect and heading error based on spin locking. In an all-optical synchronously pumped magnetometer with separate pump and probe beams, we apply a radio-frequency field which is in phase with the precessing magnetization. This results in the collapse of the multicomponent asymmetric magnetic-resonance line with ∼100  Hz width in the Earth-field range into a single peak with a width of 22 Hz, whose position is largely independent of the orientation of the sensor within a range of orientation angles. The technique is expected to be broadly applicable in practical magnetometry, potentially boosting the sensitivity and accuracy of Earth-surveying magnetometers by increasing the magnetic-resonance amplitude, decreasing its width, and removing the important and limiting heading-error systematic.

Frequency stabilization of a 1083 nm fiber laser to {sup 4}He transition lines with optical heterodyne saturation spectroscopies

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

Gong, W.; Peng, X., E-mail: xiangpeng@pku.edu.cn; Li, W.

2014-07-15

Two kinds of optical heterodyne saturation spectroscopies, namely, frequency modulation spectroscopy (FMS) and modulation transfer spectroscopy (MTS), are demonstrated for locking a fiber laser to the transition lines of metastable {sup 4}He atoms around 1083 nm. The servo-loop error signals of FMS and MTS for stabilizing laser frequency are optimized by studying the dependence of the peak-to-peak amplitude and slope on the optical power of pump and probe beams. A comparison of the stabilization performances of FMS/MTS and polarization spectroscopy (PS) is presented, which shows that MTS exhibits relatively superior performance with the least laser frequency fluctuation due to itsmore » flat-background dispersive signal, originated from the four-wave mixing process. The Allan deviation of the stabilized laser frequency is 5.4 × 10{sup −12}@100 s with MTS for data acquired in 1000 s, which is sufficiently applicable for fields like laser cooling, optical pumping, and optical magnetometry.« less

Epitaxial Ni-Mn-Ga-Co thin films on PMN-PT substrates for multicaloric applications

NASA Astrophysics Data System (ADS)

Schleicher, B.; Niemann, R.; Diestel, A.; Hühne, R.; Schultz, L.; Fähler, S.

2015-08-01

Multicaloric stacks consisting of a magnetocaloric film on a piezoelectric substrate promise improved caloric properties as the transition temperature can be controlled by both magnetic and electric fields. We present epitaxially grown magnetocaloric Ni-Mn-Ga-Co thin films on ferroelectric Pb(Mg1/3Nb2/3)0.72Ti0.28O3 substrates. Structure and microstructure of two samples, being in the austenitic and martensitic state at room temperature, are investigated by X-ray diffraction in two- and four-circle geometry and by atomic force microscopy. In addition, high temperature magnetometry was performed on the latter sample. The combination of these methods allows separating the influence of epitaxial growth and martensitic transformation. A preferential alignment of twin boundaries is observed already in the as-deposited state, which indicates the presence of prestress, without applying an electric field to the substrate. A temperature-magnetic field phase diagram is presented, which demonstrates the inverse magnetocaloric effect of the epitaxial Ni-Mn-Ga-Co film.

Symmetry-breaking inelastic wave-mixing atomic magnetometry.

PubMed

Zhou, Feng; Zhu, Chengjie J; Hagley, Edward W; Deng, Lu

2017-12-01

The nonlinear magneto-optical rotation (NMOR) effect has prolific applications ranging from precision mapping of Earth's magnetic field to biomagnetic sensing. Studies on collisional spin relaxation effects have led to ultrahigh magnetic field sensitivities using a single-beam Λ scheme with state-of-the-art magnetic shielding/compensation techniques. However, the NMOR effect in this widely used single-beam Λ scheme is peculiarly small, requiring complex radio-frequency phase-locking protocols. We show the presence of a previously unknown energy symmetry-based nonlinear propagation blockade and demonstrate an optical inelastic wave-mixing NMOR technique that breaks this NMOR blockade, resulting in an NMOR optical signal-to-noise ratio (SNR) enhancement of more than two orders of magnitude never before seen with the single-beam Λ scheme. The large SNR enhancement was achieved simultaneously with a nearly two orders of magnitude reduction in laser power while preserving the magnetic resonance linewidth. This new method may open a myriad of applications ranging from biomagnetic imaging to precision measurement of the magnetic properties of subatomic particles.

Polarization and amplitude probes in Hanle effect EIT noise spectroscopy of a buffer gas cell

NASA Astrophysics Data System (ADS)

O'Leary, Shannon; Zheng, Aojie; Crescimanno, Michael

2015-05-01

Noise correlation spectroscopy on systems manifesting Electromagnetically Induced Transparency (EIT) holds promise as a simple, robust method for performing high-resolution spectroscopy used in applications such as EIT-based atomic magnetometry and clocks. While this noise conversion can diminish the precision of EIT applications, noise correlation techniques transform the noise into a useful spectroscopic tool that can improve the application's precision. We study intensity noise, originating from the large phase noise of a semiconductor diode laser's light, in Rb vapor EIT in the Hanle configuration. We report here on our recent experimental work on and complementary theoretical modeling of the effects of light polarization preparation and post-selection on the correlation spectrum and on the independent noise channel traces. We also explain methodology and recent results for delineating the effects of residual laser amplitude fluctuations on the correlation noise resonance as compared to other contributing processes. Understanding these subtleties are essential for optimizing EIT-noise applications.

Symmetry-breaking inelastic wave-mixing atomic magnetometry

PubMed Central

Zhou, Feng; Zhu, Chengjie J.; Hagley, Edward W.; Deng, Lu

2017-01-01

The nonlinear magneto-optical rotation (NMOR) effect has prolific applications ranging from precision mapping of Earth’s magnetic field to biomagnetic sensing. Studies on collisional spin relaxation effects have led to ultrahigh magnetic field sensitivities using a single-beam Λ scheme with state-of-the-art magnetic shielding/compensation techniques. However, the NMOR effect in this widely used single-beam Λ scheme is peculiarly small, requiring complex radio-frequency phase-locking protocols. We show the presence of a previously unknown energy symmetry–based nonlinear propagation blockade and demonstrate an optical inelastic wave-mixing NMOR technique that breaks this NMOR blockade, resulting in an NMOR optical signal-to-noise ratio (SNR) enhancement of more than two orders of magnitude never before seen with the single-beam Λ scheme. The large SNR enhancement was achieved simultaneously with a nearly two orders of magnitude reduction in laser power while preserving the magnetic resonance linewidth. This new method may open a myriad of applications ranging from biomagnetic imaging to precision measurement of the magnetic properties of subatomic particles. PMID:29214217

Hastatic order in URu2Si2 : Hybridization with a twist

NASA Astrophysics Data System (ADS)

Chandra, Premala; Coleman, Piers; Flint, Rebecca

2015-05-01

The broken symmetry that develops below 17.5 K in the heavy fermion compound URu2Si2 has long eluded identification. Here we argue that the recent observation of Ising quasiparticles in URu2Si2 results from a spinor hybridization order parameter that breaks double time-reversal symmetry by mixing states of integer and half-integer spin. Such "hastatic order" (hasta: [Latin] spear) hybridizes Kramers conduction electrons with Ising, non-Kramers 5 f2 states of the uranium atoms to produce Ising quasiparticles. The development of a spinorial hybridization at 17.5 K accounts for both the large entropy of condensation and the magnetic anomaly observed in torque magnetometry. This paper develops the theory of hastatic order in detail, providing the mathematical development of its key concepts. Hastatic order predicts a tiny transverse moment in the conduction sea, a colossal Ising anisotropy in the nonlinear susceptibility anomaly and a resonant energy-dependent nematicity in the tunneling density of states.

Method for large-scale fabrication of atomic-scale structures on material surfaces using surface vacancies

DOEpatents

Lim, Chong Wee; Ohmori, Kenji; Petrov, Ivan Georgiev; Greene, Joseph E.

2004-07-13

A method for forming atomic-scale structures on a surface of a substrate on a large-scale includes creating a predetermined amount of surface vacancies on the surface of the substrate by removing an amount of atoms on the surface of the material corresponding to the predetermined amount of the surface vacancies. Once the surface vacancies have been created, atoms of a desired structure material are deposited on the surface of the substrate to enable the surface vacancies and the atoms of the structure material to interact. The interaction causes the atoms of the structure material to form the atomic-scale structures.

Accuracy of MRI-based Magnetic Susceptibility Measurements

NASA Astrophysics Data System (ADS)

Russek, Stephen; Erdevig, Hannah; Keenan, Kathryn; Stupic, Karl

Magnetic Resonance Imaging (MRI) is increasingly used to map tissue susceptibility to identify microbleeds associated with brain injury and pathologic iron deposits associated with neurologic diseases such as Parkinson's and Alzheimer's disease. Field distortions with a resolution of a few parts per billion can be measured using MRI phase maps. The field distortion map can be inverted to obtain a quantitative susceptibility map. To determine the accuracy of MRI-based susceptibility measurements, a set of phantoms with paramagnetic salts and nano-iron gels were fabricated. The shapes and orientations of features were varied. Measured susceptibility of 1.0 mM GdCl3 solution in water as a function of temperature agreed well with the theoretical predictions, assuming Gd+3 is spin 7/2. The MRI susceptibility measurements were compared with SQUID magnetometry. The paramagnetic susceptibility sits on top of the much larger diamagnetic susceptibility of water (-9.04 x 10-6), which leads to errors in the SQUID measurements. To extract out the paramagnetic contribution using standard magnetometry, measurements must be made down to low temperature (2K). MRI-based susceptometry is shown to be as or more accurate than standard magnetometry and susceptometry techniques.

Regional-Scale Surface Magnetic Fields and Proton Fluxes to Mercury's Surface from Proton-Reflection Magnetometry

NASA Astrophysics Data System (ADS)

Winslow, R. M.; Johnson, C. L.; Anderson, B. J.; Gershman, D. J.; Raines, J. M.; Lillis, R. J.; Korth, H.; Slavin, J. A.; Solomon, S. C.; Zurbuchen, T.

2014-12-01

The application of a recently developed proton-reflection magnetometry technique to MESSENGER spacecraft observations at Mercury has yielded two significant findings. First, loss-cone observations directly confirm particle precipitation to Mercury's surface and indicate that solar wind plasma persistently bombards the planet not only in the magnetic cusp regions but over a large fraction of the southern hemisphere. Second, the inferred surface field strengths independently confirm the north-south asymmetry in Mercury's global magnetic field structure first documented from observations of magnetic equator crossings. Here we extend this work with 1.5 additional years of observations (i.e., to 2.5 years in all) to further probe Mercury's surface magnetic field and better resolve proton flux precipitation to the planet's surface. We map regions where proton loss cones are observed; these maps indicate regions where protons precipitate directly onto the surface. The augmentation of our data set over that used in our original study allows us to examine the proton loss cones in cells of dimension 10° latitude by 20° longitude in Mercury body-fixed coordinates. We observe a transition from double-sided to single-sided loss cones in the pitch-angle distributions; this transition marks the boundary between open and closed field lines. At the surface this boundary lies between 60° and 70°N. Our observations allow the estimation of surface magnetic field strengths in the northern cusp region and the calculation of incident proton fluxes to both hemispheres. In the northern cusp, our regional-scale observations are consistent with an offset dipole field and a dipole moment of 190 nT RM3, where RM is Mercury's radius, implying that any regional-scale variations in surface magnetic field strengths are either weak relative to the dipole field or occur at length scales smaller than the resolution of our observations (~300 km). From the global proton flux map (north of 40° S) derived from proton loss-cone measurements, we find an increase in proton flux near 0° and 180° planetary longitudes. This pattern is consistent with that expected from the combined effects of increased incident solar wind density at these longitudes at local noon (given the 3:2 spin-orbit resonance of Mercury) and phasing of MESSENGER's orbit.

Preparation of magnetic molecularly imprinted polymers by atom transfer radical polymerization for the rapid extraction of avermectin from fish samples.

PubMed

You, Xiaoxiao; Gao, Lei; Qin, Dongli; Chen, Ligang

2017-01-01

A novel and highly efficient approach to obtain magnetic molecularly imprinted polymers is described to detect avermectin in fish samples. The magnetic molecularly imprinted polymers were synthesized by surface imprinting polymerization using magnetic multiwalled carbon nanotubes as the support materials, atom transfer radical polymerization as the polymerization method, avermectin as template, acrylamide as functional monomer, and ethylene glycol dimethacrylate as crosslinker. The characteristics of the magnetic molecularly imprinted polymers were assessed by using transmission electron microscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, vibrating sample magnetometry, X-ray diffraction, and thermogravimetric analysis. The binding characteristics of magnetic molecularly imprinted polymers were researched through isothermal adsorption experiment, kinetics adsorption experiment, and the selectivity experiment. Coupled with ultra high performance liquid chromatography and tandem mass spectrometry, the extraction conditions of the magnetic molecularly imprinted polymers as adsorbents for avermectin were investigated in detail. The recovery of avermectin was 84.2-97.0%, and the limit of detection was 0.075 μg/kg. Relative standard deviations of intra- and inter-day precisions were in the range of 1.7-2.9% and 3.4-5.6%, respectively. The results demonstrated that the extraction method not only has high selectivity and accuracy, but also is convenient for the determination of avermectin in fish samples. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Growth, electrical, structural, and magnetic properties of half-Heusler CoT i 1 - x F e x Sb

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

Harrington, S. D.; Rice, A. D.; Brown-Heft, T. L.

Epitaxial thin films of the substitutionally alloyed half-Heusler series CoTi 1-xFe xSb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0 ≤ x ≤ 1.0. The influence of Fe on the structural, electronic, and magnetic properties was studied and compared to that expected from density functional theory. The films are epitaxial and single crystalline, as measured by reflection high-energy electron diffraction and X-ray diffraction. Using in-situ X-ray photoelectron spectroscopy, only small changes in the valence band are detected for x ≤ 0.5. For films with x ≥ 0.05, ferromagnetism is observed in SQUID magnetometry with a saturationmore » magnetization that scales linearly with Fe content. A dramatic decrease in the magnetic moment per formula unit occurs when the Fe is substitutionally alloyed on the Co site indicating a strong dependence on the magnetic moment with site occupancy. A crossover from both in-plane and out-of-plane magnetic moments to only in-plane moment occurs for higher concentrations of Fe. Ferromagnetic resonance indicates a transition from weak to strong interaction with a reduction in inhomogeneous broadening as Fe content is increased. Temperature-dependent transport reveals a semiconductor to metal transition with thermally activated behavior for x ≤ 0.5. Anomalous Hall effect and large negative magnetoresistance (up to -18.5% at 100 kOe for x=0.3) are observed for higher Fe content films. Evidence of superparamagnetism for x=0.3 and x=0.2 suggests for moderate levels of Fe, demixing of the CoTi 1-xFe xSb films into Fe rich and Fe deficient regions may be present. Atom probe tomography is used to examine the Fe distribution in a x=0.3 film. Finally, statistical analysis reveals a nonhomogeneous distribution of Fe atoms throughout the film, which is used to explain the observed magnetic and electrical behavior.« less

Growth, electrical, structural, and magnetic properties of half-Heusler CoT i 1 - x F e x Sb

DOE PAGES

Harrington, S. D.; Rice, A. D.; Brown-Heft, T. L.; ...

2018-01-12

Epitaxial thin films of the substitutionally alloyed half-Heusler series CoTi 1-xFe xSb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0 ≤ x ≤ 1.0. The influence of Fe on the structural, electronic, and magnetic properties was studied and compared to that expected from density functional theory. The films are epitaxial and single crystalline, as measured by reflection high-energy electron diffraction and X-ray diffraction. Using in-situ X-ray photoelectron spectroscopy, only small changes in the valence band are detected for x ≤ 0.5. For films with x ≥ 0.05, ferromagnetism is observed in SQUID magnetometry with a saturationmore » magnetization that scales linearly with Fe content. A dramatic decrease in the magnetic moment per formula unit occurs when the Fe is substitutionally alloyed on the Co site indicating a strong dependence on the magnetic moment with site occupancy. A crossover from both in-plane and out-of-plane magnetic moments to only in-plane moment occurs for higher concentrations of Fe. Ferromagnetic resonance indicates a transition from weak to strong interaction with a reduction in inhomogeneous broadening as Fe content is increased. Temperature-dependent transport reveals a semiconductor to metal transition with thermally activated behavior for x ≤ 0.5. Anomalous Hall effect and large negative magnetoresistance (up to -18.5% at 100 kOe for x=0.3) are observed for higher Fe content films. Evidence of superparamagnetism for x=0.3 and x=0.2 suggests for moderate levels of Fe, demixing of the CoTi 1-xFe xSb films into Fe rich and Fe deficient regions may be present. Atom probe tomography is used to examine the Fe distribution in a x=0.3 film. Finally, statistical analysis reveals a nonhomogeneous distribution of Fe atoms throughout the film, which is used to explain the observed magnetic and electrical behavior.« less

Atomic-Scale Factors of Combustion Nanocatalysts

DTIC Science & Technology

2014-03-27

AFRL-OSR-VA-TR-2014-0122 ATOMIC- SCALE PRINCIPLES OF COMBUSTION NANOCATALYSIS Uzi Landman GEORGIA TECH RESEARCH CORPORATION Final Report 05/19/2014...Prescribed by ANSI Std. Z39.18 27-03-2014 Final 01-06-2008 - 31-12-2013 MURI 08) - ATOMIC- SCALE PRINCIPLES OF COMBUSTION NANOCATALYSIS N/A FA9550-08...of predictive capabilities, addressing the creation, characterization, atomic- scale manipulations, and control of nanometer- scale catalytic systems

Tutorial: Magnetic resonance with nitrogen-vacancy centers in diamond—microwave engineering, materials science, and magnetometry

NASA Astrophysics Data System (ADS)

Abe, Eisuke; Sasaki, Kento

2018-04-01

This tutorial article provides a concise and pedagogical overview on negatively charged nitrogen-vacancy (NV) centers in diamond. The research on the NV centers has attracted enormous attention for its application to quantum sensing, encompassing the areas of not only physics and applied physics but also chemistry, biology, and life sciences. Nonetheless, its key technical aspects can be understood from the viewpoint of magnetic resonance. We focus on three facets of this ever-expanding research field, to which our viewpoint is especially relevant: microwave engineering, materials science, and magnetometry. In explaining these aspects, we provide a technical basis and up-to-date technologies for research on the NV centers.

Magnetometry and Ground-Penetrating Radar Studies in the Sihuas Valley, Peru

NASA Astrophysics Data System (ADS)

Wisnicki, E.; Papadimitrios, K.; Bank, C.

2013-12-01

The Quillcapampa la Antigua site in Peru's Sihuas Valley is a settlement from Peru's Middle Horizon (600-100 A.D.). Archaeological interest in the area stems from the question of whether ancient civilizations were able to have extensive state control of distant groups, or whether state influence occurred through less direct ties (e.g., marriage, religion, or trade). Our geophysical surveys are preliminary to archaeological digging in the area. Ground-penetrating radar and magnetometry attempt to locate areas of interest for focused archaeological excavation, characterize the design of architectural remains and burial mounds in the area, and allow archaeologists to interpret the amount of influence the Wari civilization had on the local residents.

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

NASA Astrophysics Data System (ADS)

Dongare, Avinash M.

2014-12-01

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.

Smooth Scaling of Valence Electronic Properties in Fullerenes: From One Carbon Atom, to C60, to Graphene

DTIC Science & Technology

2012-09-18

Smooth scaling of valence electronic properties in fullerenes: from one carbon atom , to C60, to graphene Greyson R. Lewis,1 William E. Bunting,1...pacitance scaling lines of the fullerenes. Lastly, it is found that points representing the carbon atom and the graphene limit lie on scaling lines for...icosahedral fullerenes, so their quantum capacitances and their detachment energies scale smoothly from one C atom , through C60, to graphene. I

Broadband magnetometry by infrared-absorption detection of nitrogen-vacancy ensembles in diamond

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

Acosta, V. M.; Bauch, E.; Jarmola, A.

We demonstrate magnetometry by detection of the spin state of high-density nitrogen-vacancy ensembles in diamond using optical absorption at 1042 nm. With this technique, measurement contrast, and collection efficiency can approach unity, leading to an increase in magnetic sensitivity compared to the more common method of collecting red fluorescence. Working at 75 K with a sensor with effective volume 50x50x300 {mu}m{sup 3}, we project photon shot-noise limited sensitivity of 5 pT in one second of acquisition and bandwidth from dc to a few megahertz. Operation in a gradiometer configuration yields a noise floor of 7 nT{sub rms} at {approx}110 Hzmore » in one second of acquisition.« less

Measurement of lunar and planetary magnetic fields by reflection of low energy electrons

NASA Technical Reports Server (NTRS)

Anderson, K. A.; Lin, R. P.; Mcguire, R. E.; Mccoy, J. E.

1975-01-01

The paper describes the technique of planetary electron reflection magnetometry (PERM), a method for measuring the magnitude, direction, and scale size of magnetic fields near the surface of the moon and other planetary bodies with weak and small-scale-size surface fields. It is noted that the PERM technique is based on the ability of magnetic fields to reflect charged particles. A qualitative account of the implementation of the technique is presented along with some results obtained by the Apollo 15 and 16 Particles and Fields subsatellites. The quantitative aspects of PERM are treated by examining solutions to the equation of motion of a charged particle in a magnetic field, computing reflection coefficients on the basis of trajectory calculations, and determining the direction of the lunar surface magnetic field. The sensitivity of the PERM technique is calculated, and effects of lunar electric fields and spacecraft potentials on the measurements are described. Extension of the technique to Mars and Venus is discussed.

Copper atomic-scale transistors.

PubMed

Xie, Fangqing; Kavalenka, Maryna N; Röger, Moritz; Albrecht, Daniel; Hölscher, Hendrik; Leuthold, Jürgen; Schimmel, Thomas

2017-01-01

We investigated copper as a working material for metallic atomic-scale transistors and confirmed that copper atomic-scale transistors can be fabricated and operated electrochemically in a copper electrolyte (CuSO 4 + H 2 SO 4 ) in bi-distilled water under ambient conditions with three microelectrodes (source, drain and gate). The electrochemical switching-on potential of the atomic-scale transistor is below 350 mV, and the switching-off potential is between 0 and -170 mV. The switching-on current is above 1 μA, which is compatible with semiconductor transistor devices. Both sign and amplitude of the voltage applied across the source and drain electrodes ( U bias ) influence the switching rate of the transistor and the copper deposition on the electrodes, and correspondingly shift the electrochemical operation potential. The copper atomic-scale transistors can be switched using a function generator without a computer-controlled feedback switching mechanism. The copper atomic-scale transistors, with only one or two atoms at the narrowest constriction, were realized to switch between 0 and 1 G 0 ( G 0 = 2e 2 /h; with e being the electron charge, and h being Planck's constant) or 2 G 0 by the function generator. The switching rate can reach up to 10 Hz. The copper atomic-scale transistor demonstrates volatile/non-volatile dual functionalities. Such an optimal merging of the logic with memory may open a perspective for processor-in-memory and logic-in-memory architectures, using copper as an alternative working material besides silver for fully metallic atomic-scale transistors.

Shaping the Atomic-Scale Geometries of Electrodes to Control Optical and Electrical Performance of Molecular Devices.

PubMed

Zhao, Zhikai; Liu, Ran; Mayer, Dirk; Coppola, Maristella; Sun, Lu; Kim, Youngsang; Wang, Chuankui; Ni, Lifa; Chen, Xing; Wang, Maoning; Li, Zongliang; Lee, Takhee; Xiang, Dong

2018-04-01

A straightforward method to generate both atomic-scale sharp and atomic-scale planar electrodes is reported. The atomic-scale sharp electrodes are generated by precisely stretching a suspended nanowire, while the atomic-scale planar electrodes are obtained via mechanically controllable interelectrodes compression followed by a thermal-driven atom migration process. Notably, the gap size between the electrodes can be precisely controlled at subangstrom accuracy with this method. These two types of electrodes are subsequently employed to investigate the properties of single molecular junctions. It is found, for the first time, that the conductance of the amine-linked molecular junctions can be enhanced ≈50% as the atomic-scale sharp electrodes are used. However, the atomic-scale planar electrodes show great advantages to enhance the sensitivity of Raman scattering upon the variation of nanogap size. The underlying mechanisms for these two interesting observations are clarified with the help of density functional theory calculation and finite-element method simulation. These findings not only provide a strategy to control the electron transport through the molecule junction, but also pave a way to modulate the optical response as well as to improve the stability of single molecular devices via the rational design of electrodes geometries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of DC arc current on the formation of cobalt-based nanostructures

NASA Astrophysics Data System (ADS)

Orpe, P. B.; Balasubramanian, C.; Mukherjee, S.

2017-08-01

The synthesis of cobalt-based magnetic nanostructures using DC arc discharge technique with varying arc current is reported here. The structural, morphological, compositional and magnetic properties of these nanostructures were studied as a function of applied arc current. Various techniques like X-ray diffraction, transmission electron microscopy, EDAX and vibrating sample magnetometry were used to carry out this study and the results are reported here. The results clearly indicate that for a given oxygen partial pressure, an arc current of 100 A favours the formation of unreacted cobalt atomic species. Also change in arc current leads to variation in phase, diversity in morphology etc. Other property changes such as thermal changes, mechanical changes etc. are not addressed here. The magnetic characterization further indicates that the anisotropy in shape plays a crucial role in deciding the magnetic properties of the nanostructured materials. We have quantified an interesting result in our experiment, that is, for a given partial pressure, 100 A arc current results in unique variation in structural and magnetic properties as compared to other arc currents.

Magnetic field gradient driven self-assembly of superparamagnetic nanoparticles using programmable magnetically-recorded templates

NASA Astrophysics Data System (ADS)

Ye, L.; Qi, B.; Lawton, T. G.; Mefford, O. T.; Rinaldi, C.; Garzon, S.; Crawford, T. M.

2013-03-01

Using the enormous magnetic field gradients (100 MT/m @ z =20 nm) present near the surface of magnetic recording media, we demonstrate the fabrication of diffraction gratings with lines consisting entirely of magnetic nanoparticles assembled from a colloidal fluid onto a disk drive medium, followed by transfer to a flexible and transparent polymer thin film. These nanomanufactured gratings have line spacings programmed with commercial magnetic recording and are inherently concave with radii of curvature controlled by varying the polymer film thickness. The diffracted intensity increases non-monotonically with the length of time the colloidal fluid remains on the disk surface. In addition to comparing longitudinal and perpendicular magnetic recording, a combination of spectral diffraction efficiency measurements, magnetometry, scanning electron microscopy and inductively coupled plasma atomic emmission spectroscopy of these gratings are employed to understand colloidal nanoparticle dynamics in this extreme gradient limit. Such experiments are necessary to optimize nanoparticle assembly and obtain uniform patterned features. This low-cost and sustainable approach to nanomanufacturing could enable low-cost, high-quality diffraction gratings as well as more complex polymer nanocomposite materials assembled with single-nanometer precision.

Preparation and characterization of hydroxyapatite-coated iron oxide particles by spray-drying technique.

PubMed

Donadel, Karina; Felisberto, Marcos D V; Laranjeira, Mauro C M

2009-06-01

Magnetic particles of iron oxide have been increasingly used in medical diagnosis by magnetic resonance imaging and in cancer therapies involving targeted drug delivery and magnetic hyperthermia. In this study we report the preparation and characterization of iron oxide particles coated with bioceramic hydroxyapatite by spray-drying. The iron oxide magnetic particles (IOMP) were coated with hydroxyapatite (HAp) by spray-drying using two IOMP/HAp ratios (0.7 and 3.2). The magnetic particles were characterized by way of scanning electronic microscopy, energy dispersive X-ray, X-ray diffraction, Fourier transformed infrared spectroscopy, flame atomic absorption spectrometry,vibrating sample magnetometry and particle size distribution (laser diffraction). The surface morphology of the coated samples is different from that of the iron oxide due to formation of hydroxyapatite coating. From an EDX analysis, it was verified that the surface of the coated magnetic particles is composed only of HAp, while the interior containsiron oxide and a few layers of HAp as expected. The results showed that spray-drying technique is an efficient and relatively inexpensive method for forming spherical particles with a core/shell structure.

Electronic and magnetic properties of iron doped zirconia: Theory and experiment

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

Debernardi, A., E-mail: alberto.debernardi@mdm.imm.cnr.it; Sangalli, D.; Lamperti, A.

We systematically investigated, both theoretically and experimentally, Zr{sub 1−x}Fe{sub x}O{sub 2−y} ranging from diluted (x ≈ 0.05) up to large (x ≈ 0.25) Fe concentration. By atomic layer deposition, we grew thin films of high-κ zirconia in cubic phase with Fe uniformly distributed in the film, as proven by time of flight secondary ion mass spectrometry and transmission electron microscopy measurements. Iron is in Fe{sup 3+} oxidation state suggesting the formation of oxygen vacancies with y concentration close to x/2. By ab-initio simulations, we studied the phase diagram relating the stability of monoclinic vs. tetragonal phase as a function of Fe doping and filmmore » thickness: the critical thickness at which the pure zirconia is stabilized in the tetragonal phase is estimated ranging from 2 to 6 nm according to film morphology. Preliminary results by X-ray magnetic circular dichroism and alternating gradient force magnetometry are discussed in comparison to ab initio data enlightening the role of oxygen vacancies in the magnetic properties of the system.« less

Understanding Zeeman EIT Noise Correlation Spectra in Buffered Rb Vapor

NASA Astrophysics Data System (ADS)

O'Leary, Shannon; Zheng, Aojie; Crescimanno, Michael

2014-05-01

Noise correlation spectroscopy on systems manifesting Electromagnetically Induced Transparency (EIT) holds promise as a simple, robust method for performing high-resolution spectroscopy used in applications such as EIT-based atomic magnetometry and clocks. During laser light's propagation through a resonant medium, interaction with the medium converts laser phase noise into intensity noise. While this noise conversion can diminish the precision of EIT applications, noise correlation techniques transform the noise into a useful spectroscopic tool that can improve the application's precision. Using a single diode laser with large phase noise, we examine laser intensity noise and noise correlations from Zeeman EIT in a buffered Rb vapor. Of particular interest is a narrow noise correlation feature, resonant with EIT, that has been shown in earlier work to be power-broadening resistant at low powers. We report here on our recent experimental work and complementary theoretical modeling on EIT noise spectra, including a study of power broadening of the narrow noise correlation feature. Understanding the nature of the noise correlation spectrum is essential for optimizing EIT-noise applications.

Epitaxial Ni-Mn-Ga-Co thin films on PMN-PT substrates for multicaloric applications

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

Schleicher, B., E-mail: b.schleicher@ifw-dresden.de; Niemann, R.; Schultz, L.

2015-08-07

Multicaloric stacks consisting of a magnetocaloric film on a piezoelectric substrate promise improved caloric properties as the transition temperature can be controlled by both magnetic and electric fields. We present epitaxially grown magnetocaloric Ni-Mn-Ga-Co thin films on ferroelectric Pb(Mg{sub 1/3}Nb{sub 2/3}){sub 0.72}Ti{sub 0.28}O{sub 3} substrates. Structure and microstructure of two samples, being in the austenitic and martensitic state at room temperature, are investigated by X-ray diffraction in two- and four-circle geometry and by atomic force microscopy. In addition, high temperature magnetometry was performed on the latter sample. The combination of these methods allows separating the influence of epitaxial growth andmore » martensitic transformation. A preferential alignment of twin boundaries is observed already in the as-deposited state, which indicates the presence of prestress, without applying an electric field to the substrate. A temperature-magnetic field phase diagram is presented, which demonstrates the inverse magnetocaloric effect of the epitaxial Ni-Mn-Ga-Co film.« less

HYPGEO - A collaboration between geophysics and remote sensing for mineral exploration

NASA Astrophysics Data System (ADS)

Meyer, Uwe; Frei, Michaela; Petersen, Hauke; Papenfuß, Anne; Ibs-von Seht, Malte; Stolz, Ronny; Queitsch, Matthias; Buchholz, Peter; Siemon, Bernhard

2017-04-01

The German Federal Institute for Geosciences and Natural Resources (BGR) aims to promote and design application oriented, generic techniques for the detection and 3D-characterisation of mineral deposits. Most newly developed mineral mining structures are still exploiting near surface sources. Since exploration and exploitation of mineral resources are increasingly under public review concerning environmental issues and social acceptance, non-invasive methods using satellites, fixed-wing aircraft, helicopters or unmanned aerial vehicles are preferred techniques within this investigation. Therefore, a data combination of helicopter-borne gamma ray spectrometry, hyperspectral imagery and full tensor gradient magnetometry is being evaluated. Test areas are open pit mining structures in Aznalcollar and Tharsis within the Pyrite Belt of southern Spain. First test flights using gamma-ray spectrometry and gradient magnetometry using SQUID-based sensors have been performed. Hyperspectral imagery has been applied on ground. Rock and core samples from the mines have been taken or investigated for further analysis. The basic idea is to combine surface triggered signals from gamma-ray spectrometry and hyperspectral imagery to enhance the detection of shallow mineralisation structures. In order to investigate whether these structures are connected with near-surface ore veins, gradient magnetometry was applied to model subsurface formations. To verify that good correlations between the applied methods are given, open pit mining structures were chosen, where the mineral content and the local to regional geology is well known.

Direct surface magnetometry with photoemission magnetic x-ray dichroism

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

Tobin, J.G.; Goodman, K.W.; Schumann, F.O.

1997-04-01

Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the {open_quotes}sum rules.{close_quotes} Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data ofmore » linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source.« less

Accuracy of magnetic resonance based susceptibility measurements

NASA Astrophysics Data System (ADS)

Erdevig, Hannah E.; Russek, Stephen E.; Carnicka, Slavka; Stupic, Karl F.; Keenan, Kathryn E.

2017-05-01

Magnetic Resonance Imaging (MRI) is increasingly used to map the magnetic susceptibility of tissue to identify cerebral microbleeds associated with traumatic brain injury and pathological iron deposits associated with neurodegenerative diseases such as Parkinson's and Alzheimer's disease. Accurate measurements of susceptibility are important for determining oxygen and iron content in blood vessels and brain tissue for use in noninvasive clinical diagnosis and treatment assessments. Induced magnetic fields with amplitude on the order of 100 nT, can be detected using MRI phase images. The induced field distributions can then be inverted to obtain quantitative susceptibility maps. The focus of this research was to determine the accuracy of MRI-based susceptibility measurements using simple phantom geometries and to compare the susceptibility measurements with magnetometry measurements where SI-traceable standards are available. The susceptibilities of paramagnetic salt solutions in cylindrical containers were measured as a function of orientation relative to the static MRI field. The observed induced fields as a function of orientation of the cylinder were in good agreement with simple models. The MRI susceptibility measurements were compared with SQUID magnetometry using NIST-traceable standards. MRI can accurately measure relative magnetic susceptibilities while SQUID magnetometry measures absolute magnetic susceptibility. Given the accuracy of moment measurements of tissue mimicking samples, and the need to look at small differences in tissue properties, the use of existing NIST standard reference materials to calibrate MRI reference structures is problematic and better reference materials are required.

The effect of Fe-coverage on the structure, morphology and magnetic properties of α-FeSi2 nanoislands.

PubMed

Tripathi, J K; Garbrecht, M; Kaplan, W D; Markovich, G; Goldfarb, I

2012-12-14

Self-assembled α-FeSi(2) nanoislands were formed using solid-phase epitaxy of low (~1.2 ML) and high (~21 ML) Fe coverages onto vicinal Si(111) surfaces followed by thermal annealing. At a resulting low Fe-covered Si(111) surface, we observed in situ, by real-time scanning tunneling microscopy and surface electron diffraction, the entire sequence of Fe-silicide formation and transformation from the initially two-dimensional (2 × 2)-reconstructed layer at 300 °C into (2 × 2)-reconstructed nanoislands decorating the vicinal step-bunch edges in a self-ordered fashion at higher temperatures. In contrast, the silicide nanoislands at a high Fe-covered surface were noticeably larger, more three-dimensional, and randomly distributed all over the surface. Ex situ x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy indicated the formation of an α-FeSi(2) island phase, in an α-FeSi(2){112} // Si{111} orientation. Superconducting quantum interference device magnetometry showed considerable superparamagnetism, with ~1.9 μ(B)/Fe atom at 4 K for the low Fe-coverage, indicating stronger ferromagnetic coupling of individual magnetic moments, as compared to high Fe-coverage, where the calculated moments were only ~0.8 μ(B)/Fe atom. Such anomalous magnetic behavior, particularly for the low Fe-coverage case, is radically different from the non-magnetic bulk α-FeSi(2) phase, and may open new pathways to high-density magnetic memory storage devices.

Magnetic dispersive solid-phase extraction based on graphene oxide/Fe3 O4 @polythionine nanocomposite followed by atomic absorption spectrometry for zinc monitoring in water, flour, celery and egg.

PubMed

Babaei, Azar; Zeeb, Mohsen; Es-Haghi, Ali

2018-07-01

Magnetic graphene oxide nanocomposite has been proposed as a promising and sustainable sorbent for the extraction and separation of target analytes from food matrices. Sample preparation based on nanocomposite presents several advantages, such as desired efficiency, reasonable selectivity and high surface-area-to-volume ratio. A new graphene oxide/Fe 3 O 4 @polythionine (GO/Fe 3 O 4 @PTh) nanocomposite sorbent was introduced for magnetic dispersive solid-phase extraction and flame atomic absorption spectrometric detection of zinc(II) in water, flour, celery and egg. To fabricate the sorbent, an oxidative polymerization of thionine on the surface of magnetic GO was applied, while polythionine was simply employed as a surface modifier to improve extraction yield. The properties of the sorbent were characterized by transmission electron microscopy, scanning electron microscopy, X-ray diffraction, energy-dispersive X-ray analysis, vibrating sample magnetometry and Fourier transform-infrared spectroscopy. The calibration curve showed linearity in the range of 0.5-30 ng mL -1 . Limits of detection (S/N = 3) and quantification (S/N = 10) were 0.08 and 0.5 ng mL -1 , respectively. The method was applied for trace-level determination of Zn(II) in water and food samples, and its validation was investigated by recovery experiments and analyzing certified reference material. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

A facile one-pot solvothermal method for synthesis of magnetically recoverable Pd-Fe3O4 hybrid nanocatalysts for the Mizoroki-Heck reaction

NASA Astrophysics Data System (ADS)

Zhen, Fangchen; Ran, Maofei; Chu, Wei; Jiang, Chengfa; Sun, Wenjing

2018-03-01

Pd-Fe3O4 hybrid nanostructures were prepared using a simple one-pot hydrothermal method. The prepared materials were characterized by Fourier transform-infrared spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, inductively coupled plasma, N2 adsorption-desorption, and vibrating sample magnetometry. This self-assembled nanosystem acted as an efficient magnetically recyclable noble metal-based multi-functional nanocatalyst. It showed excellent catalytic activity and stability for the Heck reaction of iodobenzene and styrene under mild conditions. The methods used to prepare the Pd-Fe3O4 catalysts were simple and low-cost, which will be useful for the large-scale development and application of a magnetically recoverable Pd catalyst.

The Chip-Scale Atomic Clock - Recent Development Progress

DTIC Science & Technology

2004-09-01

35th Annual Precise Time and Time Interval (PTTI) Meeting 467 THE CHIP-SCALE ATOMIC CLOCK – RECENT DEVELOPMENT PROGRESS R. Lutwak ...1] R. Lutwak , et al., 2003, “The Chip-Scale Atomic Clock – Coherent Population Trapping vs. Conventional Interrogation,” in

Copper atomic-scale transistors

PubMed Central

Kavalenka, Maryna N; Röger, Moritz; Albrecht, Daniel; Hölscher, Hendrik; Leuthold, Jürgen

2017-01-01

We investigated copper as a working material for metallic atomic-scale transistors and confirmed that copper atomic-scale transistors can be fabricated and operated electrochemically in a copper electrolyte (CuSO4 + H2SO4) in bi-distilled water under ambient conditions with three microelectrodes (source, drain and gate). The electrochemical switching-on potential of the atomic-scale transistor is below 350 mV, and the switching-off potential is between 0 and −170 mV. The switching-on current is above 1 μA, which is compatible with semiconductor transistor devices. Both sign and amplitude of the voltage applied across the source and drain electrodes (U bias) influence the switching rate of the transistor and the copper deposition on the electrodes, and correspondingly shift the electrochemical operation potential. The copper atomic-scale transistors can be switched using a function generator without a computer-controlled feedback switching mechanism. The copper atomic-scale transistors, with only one or two atoms at the narrowest constriction, were realized to switch between 0 and 1G 0 (G 0 = 2e2/h; with e being the electron charge, and h being Planck’s constant) or 2G 0 by the function generator. The switching rate can reach up to 10 Hz. The copper atomic-scale transistor demonstrates volatile/non-volatile dual functionalities. Such an optimal merging of the logic with memory may open a perspective for processor-in-memory and logic-in-memory architectures, using copper as an alternative working material besides silver for fully metallic atomic-scale transistors. PMID:28382242

Chiral cavity ring down polarimetry: Chirality and magnetometry measurements using signal reversals.

PubMed

Bougas, Lykourgos; Sofikitis, Dimitris; Katsoprinakis, Georgios E; Spiliotis, Alexandros K; Tzallas, Paraskevas; Loppinet, Benoit; Rakitzis, T Peter

2015-09-14

We present the theory and experimental details for chiral-cavity-ring-down polarimetry and magnetometry, based on ring cavities supporting counterpropagating laser beams. The optical-rotation symmetry is broken by the presence of both chiral and Faraday birefringence, giving rise to signal reversals which allow rapid background subtractions. We present the measurement of the specific rotation at 800 nm of vapors of α-pinene, 2-butanol, and α-phellandrene, the measurement of optical rotation of sucrose solutions in a flow cell, the measurement of the Verdet constant of fused silica, and measurements and theoretical treatment of evanescent-wave optical rotation at a prism surface. Therefore, these signal-enhancing and signal-reversing methods open the way for ultrasensitive polarimetry measurements in gases, liquids and solids, and at surfaces.

Spectroscopic and magnetic studies of highly dispersible superparamagnetic silica coated magnetite nanoparticles

NASA Astrophysics Data System (ADS)

Tadyszak, Krzysztof; Kertmen, Ahmet; Coy, Emerson; Andruszkiewicz, Ryszard; Milewski, Sławomir; Kardava, Irakli; Scheibe, Błażej; Jurga, Stefan; Chybczyńska, Katarzyna

2017-07-01

Superparamagnetic behavior in aqueously well dispersible magnetite core-shell Fe3O4@SiO2 nanoparticles is presented. The magnetic properties of core-shell nanoparticles were measured with use of the DC, AC magnetometry and EPR spectroscopy. Particles where characterized by HR-TEM and Raman spectroscopy, showing a crystalline magnetic core of 11.5 ± 0.12 nm and an amorphous silica shell of 22 ± 1.5 nm in thickness. The DC, AC magnetic measurements confirmed the superparamagnetic nature of nanoparticles, additionally the EPR studies performed at much higher frequency than DC, AC magnetometry (9 GHz) have confirmed the paramagnetic nature of the nanoparticles. Our results show the excellent magnetic behavior of the particles with a clear magnetite structure, which are desirable properties for environmental remediation and biomedical applications.

Atomic-scale reversibility in sheared glasses

NASA Astrophysics Data System (ADS)

Fan, Meng; Wang, Minglei; Liu, Yanhui; Schroers, Jan; Shattuck, Mark; O'Hern, Corey

Systems become irreversible on a macroscopic scale when they are sheared beyond the yield strain and begin flowing. Using computer simulations of oscillatory shear, we investigate atomic scale reversibility. We employ molecular dynamics simulations to cool binary Lennard-Jones liquids to zero temperature over a wide range of cooling rates. We then apply oscillatory quasistatic shear at constant pressure to the zero-temperature glasses and identify neighbor-switching atomic rearrangement events. We determine the critical strain γ*, beyond which atoms in the system do not return to their original positions upon reversing the strain. We show that for more slowly cooled glasses, the average potential energy is lower and the typical size of atomic rearrangements is smaller, which correlates with larger γ*. Finally, we connect atomic- and macro-scale reversibility by determining the number of and correlations between the atomic rearrangements that occur as the system reaches the yield strain.

A kilobyte rewritable atomic memory

NASA Astrophysics Data System (ADS)

Kalff, Floris; Rebergen, Marnix; Fahrenfort, Nora; Girovsky, Jan; Toskovic, Ranko; Lado, Jose; FernáNdez-Rossier, JoaquíN.; Otte, Sander

The ability to manipulate individual atoms by means of scanning tunneling microscopy (STM) opens op opportunities for storage of digital data on the atomic scale. Recent achievements in this direction include data storage based on bits encoded in the charge state, the magnetic state, or the local presence of single atoms or atomic assemblies. However, a key challenge at this stage is the extension of such technologies into large-scale rewritable bit arrays. We demonstrate a digital atomic-scale memory of up to 1 kilobyte (8000 bits) using an array of individual surface vacancies in a chlorine terminated Cu(100) surface. The chlorine vacancies are found to be stable at temperatures up to 77 K. The memory, crafted using scanning tunneling microscopy at low temperature, can be read and re-written automatically by means of atomic-scale markers, and offers an areal density of 502 Terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude.

Fabrication of electron beam deposited tip for atomic-scale atomic force microscopy in liquid.

PubMed

Miyazawa, K; Izumi, H; Watanabe-Nakayama, T; Asakawa, H; Fukuma, T

2015-03-13

Recently, possibilities of improving operation speed and force sensitivity in atomic-scale atomic force microscopy (AFM) in liquid using a small cantilever with an electron beam deposited (EBD) tip have been intensively explored. However, the structure and properties of an EBD tip suitable for such an application have not been well-understood and hence its fabrication process has not been established. In this study, we perform atomic-scale AFM measurements with a small cantilever and clarify two major problems: contaminations from a cantilever and tip surface, and insufficient mechanical strength of an EBD tip having a high aspect ratio. To solve these problems, here we propose a fabrication process of an EBD tip, where we attach a 2 μm silica bead at the cantilever end and fabricate a 500-700 nm EBD tip on the bead. The bead height ensures sufficient cantilever-sample distance and enables to suppress long-range interaction between them even with a short EBD tip having high mechanical strength. After the tip fabrication, we coat the whole cantilever and tip surface with Si (30 nm) to prevent the generation of contamination. We perform atomic-scale AFM imaging and hydration force measurements at a mica-water interface using the fabricated tip and demonstrate its applicability to such an atomic-scale application. With a repeated use of the proposed process, we can reuse a small cantilever for atomic-scale measurements for several times. Therefore, the proposed method solves the two major problems and enables the practical use of a small cantilever in atomic-scale studies on various solid-liquid interfacial phenomena.

Atomic-Scale Lightning Rod Effect in Plasmonic Picocavities: A Classical View to a Quantum Effect.

PubMed

Urbieta, Mattin; Barbry, Marc; Zhang, Yao; Koval, Peter; Sánchez-Portal, Daniel; Zabala, Nerea; Aizpurua, Javier

2018-01-23

Plasmonic gaps are known to produce nanoscale localization and enhancement of optical fields, providing small effective mode volumes of about a few hundred nm 3 . Atomistic quantum calculations based on time-dependent density functional theory reveal the effect of subnanometric localization of electromagnetic fields due to the presence of atomic-scale features at the interfaces of plasmonic gaps. Using a classical model, we explain this as a nonresonant lightning rod effect at the atomic scale that produces an extra enhancement over that of the plasmonic background. The near-field distribution of atomic-scale hot spots around atomic features is robust against dynamical screening and spill-out effects and follows the potential landscape determined by the electron density around the atomic sites. A detailed comparison of the field distribution around atomic hot spots from full quantum atomistic calculations and from the local classical approach considering the geometrical profile of the atoms' electronic density validates the use of a classical framework to determine the effective mode volume in these extreme subnanometric optical cavities. This finding is of practical importance for the community of surface-enhanced molecular spectroscopy and quantum nanophotonics, as it provides an adequate description of the local electromagnetic fields around atomic-scale features with use of simplified classical methods.

Contributed Review: Camera-limits for wide-field magnetic resonance imaging with a nitrogen-vacancy spin sensor

NASA Astrophysics Data System (ADS)

Wojciechowski, Adam M.; Karadas, Mürsel; Huck, Alexander; Osterkamp, Christian; Jankuhn, Steffen; Meijer, Jan; Jelezko, Fedor; Andersen, Ulrik L.

2018-03-01

Sensitive, real-time optical magnetometry with nitrogen-vacancy centers in diamond relies on accurate imaging of small (≪10-2), fractional fluorescence changes across the diamond sample. We discuss the limitations on magnetic field sensitivity resulting from the limited number of photoelectrons that a camera can record in a given time. Several types of camera sensors are analyzed, and the smallest measurable magnetic field change is estimated for each type. We show that most common sensors are of a limited use in such applications, while certain highly specific cameras allow achieving nanotesla-level sensitivity in 1 s of a combined exposure. Finally, we demonstrate the results obtained with a lock-in camera that paves the way for real-time, wide-field magnetometry at the nanotesla level and with a micrometer resolution.

Electronic structure of cobalt doped CdSe quantum dots using soft X-ray spectroscopy

DOE PAGES

Wright, Joshua T.; Su, Dong; van Buuren, Tony; ...

2014-08-21

Here, the electronic structure and magnetic properties of cobalt doped CdSe quantum dots (QDs) are studied using electron microscopy, soft X-ray spectroscopy, and magnetometry. Magnetometry measurements suggest these QDs are superparamagnetic, contrary to a spin-glass state observed in the bulk analogue. Electron microscopy shows well formed QDs, but with cobalt existing as doped into the QD and as unreacted species not contained in the QD. X-ray absorption measurements at the Co L3-edge suggest that changes in spectra features as a function of particle size can be described considering combination of a cobalt ion in a tetrahedral crystal field and anmore » octahedrally coordinated (impurity) phase. With decreasing particle sizes, the impurity phase increases, suggesting that small QDs can be difficult to dope.« less

Joint denoising and distortion correction of atomic scale scanning transmission electron microscopy images

NASA Astrophysics Data System (ADS)

Berkels, Benjamin; Wirth, Benedikt

2017-09-01

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms shown in micrographs as precisely as possible. Here, we consider scanning transmission electron microscopy (STEM), which acquires data in a rastering pattern, pixel by pixel. Due to this rastering combined with the magnification to atomic scale, movements of the specimen even at the nanometer scale lead to random image distortions that make precise atom localization difficult. Given a series of STEM images, we derive a Bayesian method that jointly estimates the distortion in each image and reconstructs the underlying atomic grid of the material by fitting the atom bumps with suitable bump functions. The resulting highly non-convex minimization problems are solved numerically with a trust region approach. Existence of minimizers and the model behavior for faster and faster rastering are investigated using variational techniques. The performance of the method is finally evaluated on both synthetic and real experimental data.

Trapped atom number in millimeter-scale magneto-optical traps

NASA Astrophysics Data System (ADS)

Hoth, Gregory W.; Donley, Elizabeth A.; Kitching, John

2012-06-01

For compact cold-atom instruments, it is desirable to trap a large number of atoms in a small volume to maximize the signal-to-noise ratio. In MOTs with beam diameters of a centimeter or larger, the slowing force is roughly constant versus velocity and the trapped atom number scales as d^4. For millimeter-scale MOTs formed from pyramidal reflectors, a d^6 dependence has been observed [Pollack et al., Opt. Express 17, 14109 (2009)]. A d^6 scaling is expected for small MOTs, where the slowing force is proportional to the atom velocity. For a 1 mm diameter MOT, a d^6 scaling results in 10 atoms, and the difference between a d^4 and a d^6 dependence corresponds to a factor of 1000 in atom number and a factor of 30 in the signal-to-noise ratio. We have observed >10^4 atoms in 1 mm diameter MOTs, consistent with a d^4 dependence. We are currently performing measurements for sub-mm MOTs to determine where the d^4 to d^6 crossover occurs in our system. We are also exploring MOTs based on linear polarization, which can potentially produce stronger slowing forces due to stimulated emission [Emile et al., Europhys. Lett. 20, 687 (1992)]. It may be possible to trap more atoms in small volumes with this method, since high intensities can be easily achieved.

Spin-Polarized Scanning Tunneling Microscope for Atomic-Scale Studies of Spin Transport, Spin Relaxation, and Magnetism in Graphene

DTIC Science & Technology

2017-11-09

to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a long-term effort...devices, our goal is to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a... correlate the change in transport with the atomic structure of hydrogen-doped graphene, we subsequently use the STM to investigate the graphene

Direct observation of atomic-scale origins of local dissolution in Al-Cu-Mg alloys

PubMed Central

Zhang, B.; Wang, J.; Wu, B.; Oguzie, E. E.; Luo, K.; Ma, X. L.

2016-01-01

Atomistic chemical inhomogeneities are anticipated to induce dissimilarities in surface potentials, which control corrosion initiation of alloys at the atomic scale. Precise understanding of corrosion is therefore hampered by lack of definite information describing how atomistic heterogeneities regulate the process. Here, using high-angle annular dark-field (HAADF) scanning transmission electron microscope (STEM) and electron energy loss spectroscopy (EELS) techniques, we systematically analyzed the Al20Cu2Mn3 second phase of 2024Al and successfully observed that atomic-scale segregation of Cu at defect sites induced preferential dissolution of the adjacent zones. We define an “atomic-scale galvanic cell”, composed of zones rich in Cu and its surrounding matrix. Our findings provide vital information linking atomic-scale microstructure and pitting mechanism, particularly for Al-Cu-Mg alloys. The resolution achieved also enables understanding of dealloying mechanisms and further streamlines our comprehension of the concept of general corrosion. PMID:28000750

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

DOE PAGES

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F.; ...

2016-03-04

Chemical imaging at the atomic-scale provides a useful real-space approach to chemically investigate solid crystal structures, and has been recently demonstrated in aberration corrected scanning transmission electron microscopy (STEM). Atomic-scale chemical imaging by STEM using energy-dispersive X-ray spectroscopy (EDS) offers easy data interpretation with a one-to-one correspondence between image and structure but has a severe shortcoming due to the poor efficiency of X-ray generation and collection. As a result, it requires a long acquisition time of typical > few 100 seconds, limiting its potential applications. Here we describe the development of an atomic-scale STEM EDS chemical imaging technique that cutsmore » the acquisition time to one or a few seconds, efficiently reducing the acquisition time by more than 100 times. This method was demonstrated using LaAlO 3 (LAO) as a model crystal. Applying this method to the study of phase transformation induced by electron-beam radiation in a layered lithium transition-metal (TM) oxide, i.e., Li[Li 0.2Ni 0.2Mn 0.6]O 2 (LNMO), a cathode materials for lithium-ion batteries, we obtained a time-series of the atomic-scale chemical imaging, showing the transformation progressing by preferably jumping of Ni atoms from the TM layers into the Li-layers. The new capability offers an opportunity for temporal, atomic-scale chemical mapping of crystal structures for the investigation of materials susceptible to electron irradiation as well as phase transformation and dynamics at the atomic-scale.« less

A kilobyte rewritable atomic memory

NASA Astrophysics Data System (ADS)

Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E.; Girovsky, J.; Toskovic, R.; Lado, J. L.; Fernández-Rossier, J.; Otte, A. F.

2016-11-01

The advent of devices based on single dopants, such as the single-atom transistor, the single-spin magnetometer and the single-atom memory, has motivated the quest for strategies that permit the control of matter with atomic precision. Manipulation of individual atoms by low-temperature scanning tunnelling microscopy provides ways to store data in atoms, encoded either into their charge state, magnetization state or lattice position. A clear challenge now is the controlled integration of these individual functional atoms into extended, scalable atomic circuits. Here, we present a robust digital atomic-scale memory of up to 1 kilobyte (8,000 bits) using an array of individual surface vacancies in a chlorine-terminated Cu(100) surface. The memory can be read and rewritten automatically by means of atomic-scale markers and offers an areal density of 502 terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude. Furthermore, the chlorine vacancies are found to be stable at temperatures up to 77 K, offering the potential for expanding large-scale atomic assembly towards ambient conditions.

Quantum Coherence and Random Fields at Mesoscopic Scales

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

Rosenbaum, Thomas F.

2016-03-01

We seek to explore and exploit model, disordered and geometrically frustrated magnets where coherent spin clusters stably detach themselves from their surroundings, leading to extreme sensitivity to finite frequency excitations and the ability to encode information. Global changes in either the spin concentration or the quantum tunneling probability via the application of an external magnetic field can tune the relative weights of quantum entanglement and random field effects on the mesoscopic scale. These same parameters can be harnessed to manipulate domain wall dynamics in the ferromagnetic state, with technological possibilities for magnetic information storage. Finally, extensions from quantum ferromagnets tomore » antiferromagnets promise new insights into the physics of quantum fluctuations and effective dimensional reduction. A combination of ac susceptometry, dc magnetometry, noise measurements, hole burning, non-linear Fano experiments, and neutron diffraction as functions of temperature, magnetic field, frequency, excitation amplitude, dipole concentration, and disorder address issues of stability, overlap, coherence, and control. We have been especially interested in probing the evolution of the local order in the progression from spin liquid to spin glass to long-range-ordered magnet.« less

Effects of neutron irradiation on pinning force scaling in state-of-the-art Nb3Sn wires

NASA Astrophysics Data System (ADS)

Baumgartner, T.; Eisterer, M.; Weber, H. W.; Flükiger, R.; Scheuerlein, C.; Bottura, L.

2014-01-01

We present an extensive irradiation study involving five state-of-the-art Nb3Sn wires which were subjected to sequential neutron irradiation up to a fast neutron fluence of 1.6 × 1022 m-2 (E > 0.1 MeV). The volume pinning force of short wire samples was assessed in the temperature range from 4.2 to 15 K in applied fields of up to 7 T by means of SQUID magnetometry in the unirradiated state and after each irradiation step. Pinning force scaling computations revealed that the exponents in the pinning force function differ significantly from those expected for pure grain boundary pinning, and that fast neutron irradiation causes a substantial change in the functional dependence of the volume pinning force. A model is presented, which describes the pinning force function of irradiated wires using a two-component ansatz involving a point-pinning contribution stemming from radiation induced pinning centers. The dependence of this point-pinning contribution on fast neutron fluence appears to be a universal function for all examined wire types.

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

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

Mannix, A. J.; Zhou, X. -F.; Kiraly, B.

At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal.

Magnetic Ordering in Gold Nanoclusters

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

Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano

Here, several research groups have observed magnetism in monolayer-protected gold-cluster samples, but the results were often contradictory and thus a clear understanding of this phenomenon is still missing. We used Au 25(SCH 2CH 2Ph) 18 0, which is a paramagnetic cluster that can be prepared with atomic precision and whose structure is known precisely. Previous magnetometry studies only detected paramagnetism. We used samples representing a range of crystallographic orders and studied their magnetic behaviors by electron paramagnetic resonance (EPR). As a film, Au 25(SCH 2CH 2Ph) 18 0 displays paramagnetic behavior but, at low temperature, ferromagnetic interactions are detectable. Onemore » or few single crystals undergo physical reorientation with the applied field and display ferromagnetism, as detected through hysteresis experiments. A large collection of microcrystals is magnetic even at room temperature and shows distinct paramagnetic, superparamagnetic, and ferromagnetic behaviors. Simulation of the EPR spectra shows that both spin-orbit coupling and crystal distortion are important to determine the observed magnetic behaviors. DFT calculations carried out on single cluster and periodic models predict values of spin6orbit coupling and crystal6splitting effects in agreement with the EPR derived quantities. Magnetism in gold nanoclusters is thus demonstrated to be the outcome of a very delicate balance of factors. To obtain reproducible results, the samples must be (i) controlled for composition and thus be monodispersed with atomic precision, (ii) of known charge state, and (iii) well defined also in terms of crystallinity and experimental conditions. This study highlights the efficacy of EPR spectroscopy to provide a molecular understanding of these phenomena« less

Synthesis and characterization of magnetite-maghemite nanoparticles obtained by the high-energy ball milling method

NASA Astrophysics Data System (ADS)

Velásquez, A. A.; Marín, C. C.; Urquijo, J. P.

2018-03-01

We present the process of synthesis and characterization of magnetite-maghemite nanoparticles by the ball milling method. The particles were synthesized in a planetary ball mill equipped with vials and balls of tempered steel, employing dry and wet conditions. For dry milling, we employed microstructured analytical-grade hematite (α-Fe2O3), while for wet milling, we mixed hematite and deionized water. Milling products were characterized by X-ray diffraction, transmission electron microscopy, room temperature Mössbauer spectroscopy, vibrating sample magnetometry, and atomic absorption spectroscopy. The Mössbauer spectrum of the dry milling product was well fitted with two sextets of hematite, while the spectrum of the wet milling product was well fitted with three sextets of spinel phase. X-ray measurements confirmed the phases identified by Mössbauer spectroscopy in both milling conditions and a reduction in the crystallinity of the dry milling product. TEM measurements showed that the products of dry milling for 100 h and wet milling for 24 h consist of aggregates of nanoparticles distributed in size, with mean particle size of 10 and 15 nm, respectively. Magnetization measurements of the wet milling product showed little coercivity and a saturation magnetization around 69 emu g-1, characteristic of a nano-spinel system. Atomic absorption measurements showed that the chromium contamination in the wet milling product is approximately two orders of magnitude greater than that found in the dry milling product for 24 h, indicating that the material of the milling bodies, liberated more widely in wet conditions, plays an important role in the conversion hematite-spinel phase.

Magnetic Ordering in Gold Nanoclusters

DOE PAGES

Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; ...

2017-06-12

Here, several research groups have observed magnetism in monolayer-protected gold-cluster samples, but the results were often contradictory and thus a clear understanding of this phenomenon is still missing. We used Au 25(SCH 2CH 2Ph) 18 0, which is a paramagnetic cluster that can be prepared with atomic precision and whose structure is known precisely. Previous magnetometry studies only detected paramagnetism. We used samples representing a range of crystallographic orders and studied their magnetic behaviors by electron paramagnetic resonance (EPR). As a film, Au 25(SCH 2CH 2Ph) 18 0 displays paramagnetic behavior but, at low temperature, ferromagnetic interactions are detectable. Onemore » or few single crystals undergo physical reorientation with the applied field and display ferromagnetism, as detected through hysteresis experiments. A large collection of microcrystals is magnetic even at room temperature and shows distinct paramagnetic, superparamagnetic, and ferromagnetic behaviors. Simulation of the EPR spectra shows that both spin-orbit coupling and crystal distortion are important to determine the observed magnetic behaviors. DFT calculations carried out on single cluster and periodic models predict values of spin6orbit coupling and crystal6splitting effects in agreement with the EPR derived quantities. Magnetism in gold nanoclusters is thus demonstrated to be the outcome of a very delicate balance of factors. To obtain reproducible results, the samples must be (i) controlled for composition and thus be monodispersed with atomic precision, (ii) of known charge state, and (iii) well defined also in terms of crystallinity and experimental conditions. This study highlights the efficacy of EPR spectroscopy to provide a molecular understanding of these phenomena« less

A polarization converting device for an interfering enhanced CPT atomic clock.

PubMed

Wang, Kewei; Tian, Yuan; Yin, Yi; Wang, Yuanchao; Gu, Sihong

2017-11-01

With interfering enhanced coherent population trapping (CPT) signals, a CPT atomic clock with improved frequency stability performance can be realized. We explore an optical device that converts single-polarized bichromatic light to left and right circularly polarized superposed bichromatic light to generate interfering enhanced CPT resonance with atoms. We have experimentally studied a tabletop CPT atomic clock apparatus with a microfabricated 87 Rb atomic chip-scale cell, and the study results show that it is promising to realize a compact CPT atomic clock, even a chip-scale CPT atomic clock through microfabrication, with improved frequency stability performance.

A polarization converting device for an interfering enhanced CPT atomic clock

NASA Astrophysics Data System (ADS)

Wang, Kewei; Tian, Yuan; Yin, Yi; Wang, Yuanchao; Gu, Sihong

2017-11-01

With interfering enhanced coherent population trapping (CPT) signals, a CPT atomic clock with improved frequency stability performance can be realized. We explore an optical device that converts single-polarized bichromatic light to left and right circularly polarized superposed bichromatic light to generate interfering enhanced CPT resonance with atoms. We have experimentally studied a tabletop CPT atomic clock apparatus with a microfabricated 87Rb atomic chip-scale cell, and the study results show that it is promising to realize a compact CPT atomic clock, even a chip-scale CPT atomic clock through microfabrication, with improved frequency stability performance.

Smart Park : Truck Parking Field Operation Test Results

DOT National Transportation Integrated Search

2011-10-15

As part of its SmartPark program, the Federal Motor Carrier Safety Administration (FMCSA) conducted a field operations test of two technologies, video imaging and magnetometry, to assess their suitability for determining the occupancy of truck parkin...

Low-T magnetometry study of S = 1 Q2D [Ni(pyz) 2(H 2O) 2](BF 4) 2 (pyz = pyrazine)

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

Manson, J. L.; Villa, D. Y.; Blackmore, W. J. A.

2017-02-13

[Ni(pyz) 2(H 2O) 2](BF 4) 2 (pyz = N 2C 4H 4) was synthesized by a solvent-free technique and its structure solved by synchrotron X-ray powder diffraction.1 The compound contains S = 1 Ni(II) ions and has tetragonal symmetry. Two-D [Ni(pyz) 2(H 2O) 2] 2+ square lattices propagate in the ab-plane and stack along the c-axis (Fig. 1). Water ligands occupy axial sites and form H-bonds with interlayer BF 4 - ions. SQUID magnetometry shows a possible transition to long-range magnetic order near 3 K. We measured the magnetization of [Ni(pyz) 2(H 2O) 2](BF 4) 2 as a function ofmore » temperature to search for field-induced phase transitions and briefly report those findings here.« less

Optical magnetometry of superconductors using nitrogen - vacancy centers in diamond films

NASA Astrophysics Data System (ADS)

Joshi, K. R.; Nusran, N. M.; Cho, Kyuil; Tanatar, M. A.; Bud'Ko, S. L.; Canfield, P. C.; Prozorov, R.

Spin-dependent fluorescence of nitrogen - vacancy (NV) centers in diamond has emerged as a promising tool for non-invasive sensitive magnetometry with excellent sensitivity. In this work, we employ ensembles of NV centers implanted at the surface of a diamond film to study magnetic induction as the function of position, magnetic field and temperature in superconductors after different cooling/heating protocols and magnetic history. One of the motivations of our work is to study the structure of the Meissner expulsion upon field cooling, where we observe significant deviations from the simple, textbook example. Another is to determine the lower superconducting critical field, Hc1. Conventional Nb is compared with borocarbides (LuNi2B2C) and iron-pnictides(CaKFe4As4). Supported by the USDOE/Office of Science BES Materials Science and Engineering Division under contract DE-AC02-07CH11358.

Thickness and angular dependent magnetic anisotropy of La0.67Sr0.33MnO3 thin films by Vectorial Magneto Optical Kerr Magnetometry

NASA Astrophysics Data System (ADS)

Chaluvadi, S. K.; Perna, P.; Ajejas, F.; Camarero, J.; Pautrat, A.; Flament, S.; Méchin, L.

2017-10-01

We investigate the in-plane magnetic anisotropy in La0.67Sr0.33MnO3 thin films grown on SrTiO3 (001) substrate using angular dependent room temperature Vectorial Magneto-Optical Kerr Magnetometry. The experimental data reveals that the magnetic anisotropy symmetry landscape significantly changes depending upon the strain and thickness. At low film thickness (12 and 25 nm) the dominant uniaxial anisotropy is due to interface effects, step edges due to mis-cut angle of SrTiO3 substrate. At intermediate thickness, the magnetic anisotropy presents a competition between magnetocrystalline (biaxial) and substrate step induced (uniaxial) anisotropy. Depending upon their relative strengths, a profound biaxial or uniaxial or mixed anisotropy is favoured. Above the critical thickness, magnetocrystalline anisotropy dominates all other effects and shows a biaxial anisotropy.

Detection of magnetically enhanced cancer tumors using SQUID magnetometry: A feasibility study

NASA Astrophysics Data System (ADS)

Kenning, G. G.; Rodriguez, R.; Zotev, V. S.; Moslemi, A.; Wilson, S.; Hawel, L.; Byus, C.; Kovach, J. S.

2005-01-01

Nanoparticles bound to various biological molecules and pharmacological agents can be administered systemically, to humans without apparent toxicity. This opens an era in the targeting of specific tissues and disease processes for noninvasive imaging and treatment. An important class of particles used predominantly for magnetic resonance imaging is based on iron-oxide ferrites. We performed computer simulations using experimentally determined values for concentrations of superparamagnetic particles achievable in specific tissues of the mouse in vivo and concentrations of particles linked to monoclonal antibodies specific to antigens of two human cancer cell lines in vitro. An instrument to target distance of 12cm, into the body, was selected as relevant to our goal of developing a rapid inexpensive method of scanning the body for occult disease. The simulations demonstrate the potential feasibility of superconducting quantum interference device magnetometry to detect induced magnetic fields in focal concentrations of superparamagnetic particles targeted, in vivo, to sites of disease.

Fiber-Optic Magnetometry and Thermometry Using Optically Detected Magnetic Resonance With Nitrogen-Vacancy Centers in Diamond

NASA Astrophysics Data System (ADS)

Blakley, Sean Michael

Nitrogen--vacancy diamond (NVD) quantum sensors are an emerging technology that has shown great promise in areas like high-resolution thermometry and magnetometry. Optical fibers provide attractive new application paradigms for NVD technology. A detailed description of the fabrication processes associated with the development of novel fiber-optic NVD probes are presented in this work. The demonstrated probes are tested on paradigmatic model systems designed to ascertain their suitability for use in challenging biological environments. Methods employing optically detected magnetic resonance (ODMR) are used to accurately measure and map temperature distributions of small objects and to demonstrate emergent temperature-dependent phenomena in genetically modified living organisms. These methods are also used to create detailed high resolution spatial maps of both magnetic scalar and magnetic vector field distributions of spatially localized weak field features in the presence of a noisy, high-field background.

Platinum clusters with precise numbers of atoms for preparative-scale catalysis.

PubMed

Imaoka, Takane; Akanuma, Yuki; Haruta, Naoki; Tsuchiya, Shogo; Ishihara, Kentaro; Okayasu, Takeshi; Chun, Wang-Jae; Takahashi, Masaki; Yamamoto, Kimihisa

2017-09-25

Subnanometer noble metal clusters have enormous potential, mainly for catalytic applications. Because a difference of only one atom may cause significant changes in their reactivity, a preparation method with atomic-level precision is essential. Although such a precision with enough scalability has been achieved by gas-phase synthesis, large-scale preparation is still at the frontier, hampering practical applications. We now show the atom-precise and fully scalable synthesis of platinum clusters on a milligram scale from tiara-like platinum complexes with various ring numbers (n = 5-13). Low-temperature calcination of the complexes on a carbon support under hydrogen stream affords monodispersed platinum clusters, whose atomicity is equivalent to that of the precursor complex. One of the clusters (Pt 10 ) exhibits high catalytic activity in the hydrogenation of styrene compared to that of the other clusters. This method opens an avenue for the application of these clusters to preparative-scale catalysis.The catalytic activity of a noble metal nanocluster is tied to its atomicity. Here, the authors report an atom-precise, fully scalable synthesis of platinum clusters from molecular ring precursors, and show that a variation of only one atom can dramatically change a cluster's reactivity.

A simple atomic-level hydrophobicity scale reveals protein interfacial structure.

PubMed

Kapcha, Lauren H; Rossky, Peter J

2014-01-23

Many amino acid residue hydrophobicity scales have been created in an effort to better understand and rapidly characterize water-protein interactions based only on protein structure and sequence. There is surprisingly low consistency in the ranking of residue hydrophobicity between scales, and their ability to provide insightful characterization varies substantially across subject proteins. All current scales characterize hydrophobicity based on entire amino acid residue units. We introduce a simple binary but atomic-level hydrophobicity scale that allows for the classification of polar and non-polar moieties within single residues, including backbone atoms. This simple scale is first shown to capture the anticipated hydrophobic character for those whole residues that align in classification among most scales. Examination of a set of protein binding interfaces establishes good agreement between residue-based and atomic-level descriptions of hydrophobicity for five residues, while the remaining residues produce discrepancies. We then show that the atomistic scale properly classifies the hydrophobicity of functionally important regions where residue-based scales fail. To illustrate the utility of the new approach, we show that the atomic-level scale rationalizes the hydration of two hydrophobic pockets and the presence of a void in a third pocket within a single protein and that it appropriately classifies all of the functionally important hydrophilic sites within two otherwise hydrophobic pores. We suggest that an atomic level of detail is, in general, necessary for the reliable depiction of hydrophobicity for all protein surfaces. The present formulation can be implemented simply in a manner no more complex than current residue-based approaches. © 2013.

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…

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs.

PubMed

Mannix, Andrew J; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D; Alducin, Diego; Myers, Benjamin D; Liu, Xiaolong; Fisher, Brandon L; Santiago, Ulises; Guest, Jeffrey R; Yacaman, Miguel Jose; Ponce, Arturo; Oganov, Artem R; Hersam, Mark C; Guisinger, Nathan P

2015-12-18

At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal. Copyright © 2015, American Association for the Advancement of Science.

Effect of Micro- and Nanomagnetite on Printing Toner Properties

PubMed Central

Ataeefard, Maryam; Ghasemi, Ebrahim; Ebadi, Mona

2014-01-01

Toner is a main component of electrophotographic printing and copying processes. One of the most important ingredients of toner is magnetite (Fe3O4) which provides the tribocharging property for toner particles. In this study, nano- and microparticles of Fe3O4 were synthesized using the coprecipitation method and different amounts of lauric acid as a surfactant. The synthesized nano and micro Fe3O4 was then used as the charge control agent to produce toner by emulsion aggregation. The Fe3O4 and toner were characterized by X-ray powder diffraction (XRD), atomic gradient force magnetometry (AGFM), dynamic laser scattering (DLS), particle size analysis, differential scanning calorimetry (DSC), and scanning electron microscopy (SEM). The results show that the optimum amount of surfactant not only reduced particle size but also reduced the magnetite properties of Fe3O4. It was found that the magnetite behavior of the toner is not similar to the Fe3O4 used to produce it. Although small-sized Fe3O4 created toner with a smaller size, toners made with micro Fe3O4 showed better magnetite properties than toner made with nano Fe3O4. PMID:24574911

Removal of the Magnetic Dead Layer by Geometric Design

DOE PAGES

Guo, Er-jia; Roldan, Manuel; Charlton, Timothy R.; ...

2018-05-28

The proximity effect is used to engineer interface effects such as magnetoelectric coupling, exchange bias, and emergent interfacial magnetism. However, the presence of a magnetic “dead layer” adversely affects the functionality of a heterostructure. Here in this paper, it is shown that by utilizing (111) polar planes, the magnetization of a manganite ultrathin layer can be maintained throughout its thickness. Combining structural characterization, magnetometry measurements, and magnetization depth profiling with polarized neutron reflectometry, it is found that the magnetic dead layer is absent in the (111)-oriented manganite layers, however, it occurs in the films with other orientations. Quantitative analysis ofmore » local structural and elemental spatial evolutions using scanning transmission electron microscopy and electron energy loss spectroscopy reveals that atomically sharp interfaces with minimal chemical intermixing in the (111)-oriented superlattices. The polar discontinuity across the (111) interfaces inducing charge redistribution within the SrTiO 3 layers is suggested, which promotes ferromagnetism throughout the (111)-oriented ultrathin manganite layers. The approach of eliminating problematic magnetic dead layers by changing the crystallographic orientation suggests a conceptually useful recipe to engineer the intriguing physical properties of oxide interfaces, especially in low dimensionality.« less

Removal of the Magnetic Dead Layer by Geometric Design

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

Guo, Er-jia; Roldan, Manuel; Charlton, Timothy R.

The proximity effect is used to engineer interface effects such as magnetoelectric coupling, exchange bias, and emergent interfacial magnetism. However, the presence of a magnetic “dead layer” adversely affects the functionality of a heterostructure. Here in this paper, it is shown that by utilizing (111) polar planes, the magnetization of a manganite ultrathin layer can be maintained throughout its thickness. Combining structural characterization, magnetometry measurements, and magnetization depth profiling with polarized neutron reflectometry, it is found that the magnetic dead layer is absent in the (111)-oriented manganite layers, however, it occurs in the films with other orientations. Quantitative analysis ofmore » local structural and elemental spatial evolutions using scanning transmission electron microscopy and electron energy loss spectroscopy reveals that atomically sharp interfaces with minimal chemical intermixing in the (111)-oriented superlattices. The polar discontinuity across the (111) interfaces inducing charge redistribution within the SrTiO 3 layers is suggested, which promotes ferromagnetism throughout the (111)-oriented ultrathin manganite layers. The approach of eliminating problematic magnetic dead layers by changing the crystallographic orientation suggests a conceptually useful recipe to engineer the intriguing physical properties of oxide interfaces, especially in low dimensionality.« less

Measurements of magnetic spin excitations in Permalloy microstructures using nitrogen-vacancy magnetometry

NASA Astrophysics Data System (ADS)

Liu, H. J. Jason; Yoon, Seungha; McMichael, Robert

The magnetic properties of nitrogen-vacancy (NV) centers in diamond have enabled emerging applications in fields ranging from cell biology to quantum computing. An NV center is a lattice defect, which behaves like a spin-1 system. NV centers can be prepared in the mz = 0 state by excitation with green light, and the spin state can be detected by the center's fluorescence of red light. The Zeeman splitting of the mz = +/-1 state, combined with a spin coherence time that can approach 1 ms, makes the NV center a sensitive, atom-sized magnetometer. Recently, NV centers have been used to measure spin wave excitations and vortex core dynamics in a Permalloy microdisk. In this talk, we present current NV center measurements on Permalloy micro and nanostructures that build on previous work. Permalloy structures were fabricated on top of a microstrip antenna and the measurements were conducted on a home-built confocal microscope. Preliminary measurements show photoluminescence contrast of ~12% and field detectivity on the order of µT/Hz1/2. This allows for fine field mapping of stray magnetic fields produced by micro and nanostructures, which are typically a few milliteslas in magnitude. Maryland Nanocenter, University of Maryland.

Hybridization with a twist: Hidden (hastatic) order in URu2Si2

NASA Astrophysics Data System (ADS)

Flint, Rebecca

The hidden order developing below 17.5K in the heavy fermion material URu2Si2 has eluded identification for over thirty years. A number of recent experiments have shed new light on the nature of this phase. In particular, de Haas-van Alphen measurements indicate nearly perfectly Ising quasiparticles deep in the hidden order phase, and recent nonlinear susceptibility measurements show that this strong Ising anisotropy persists up to and above the hidden order transition itself. Along with other features, this Ising anisotropy implies that the conduction electrons hybridize with a local Ising moment - a 5f2 state of the uranium atom with integer spin. As the hybridization mixes states of integer and half-integer spin, it is itself a spinor and this ``hastatic'' (hasta: [Latin] spear) order parameter therefore breaks both time-reversal and double time-reversal symmetries. A microscopic theory of hastatic order naturally unites a number of disparate experimental results from the large entropy of condensation to the spin rotational symmetry breaking seen in torque magnetometry, and provides a number of experimental predictions. Moreover, this new spinorial order parameter provides a window into a number of new heavy fermion phases.

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.

In situ atomic scale mechanical microscopy discovering the atomistic mechanisms of plasticity in nano-single crystals and grain rotation in polycrystalline metals.

PubMed

Han, Xiaodong; Wang, Lihua; Yue, Yonghai; Zhang, Ze

2015-04-01

In this review, we briefly introduce our in situ atomic-scale mechanical experimental technique (ASMET) for transmission electron microscopy (TEM), which can observe the atomic-scale deformation dynamics of materials. This in situ mechanical testing technique allows the deformation of TEM samples through a simultaneous double-tilt function, making atomic-scale mechanical microscopy feasible. This methodology is generally applicable to thin films, nanowires (NWs), tubes and regular TEM samples to allow investigation of the dynamics of mechanically stressed samples at the atomic scale. We show several examples of this technique applied to Pt and Cu single/polycrystalline specimens. The in situ atomic-scale observation revealed that when the feature size of these materials approaches the nano-scale, they often exhibit "unusual" deformation behaviours compared to their bulk counterparts. For example, in Cu single-crystalline NWs, the elastic-plastic transition is size-dependent. An ultra-large elastic strain of 7.2%, which approaches the theoretical elasticity limit, can be achieved as the diameter of the NWs decreases to ∼6 nm. The crossover plasticity transition from full dislocations to partial dislocations and twins was also discovered as the diameter of the single-crystalline Cu NWs decreased. For Pt nanocrystals (NC), the long-standing uncertainties of atomic-scale plastic deformation mechanisms in NC materials (grain size G less than 15 nm) were clarified. For larger grains with G<∼10 nm, we frequently observed movements and interactions of cross-grain full dislocations. For G between 6 and 10 nm, stacking faults resulting from partial dislocations become more frequent. For G<∼6 nm, the plasticity mechanism transforms from a mode of cross-grain dislocation to a collective grain rotation mechanism. This grain rotation process is mediated by grain boundary (GB) dislocations with the assistance of GB diffusion and shuffling. These in situ atomic-scale images provide a direct demonstration that grain rotation, through the evolution of the misorientation angle between neighbouring grains, can be quantitatively assessed by the dislocation content within the grain boundaries. In combination with the revolutionary Cs-corrected sub-angstrom imaging technologies developed by Urban et al., the opportunities for experimental mechanics at the atomic scale are emerging. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Dependence of the friction strengthening of graphene on velocity.

PubMed

Zeng, Xingzhong; Peng, Yitian; Liu, Lei; Lang, Haojie; Cao, Xing'an

2018-01-25

Graphene shows great potential applications as a solid lubricant in micro- and nanoelectromechanical systems (MEMS/NEMS). An atomic-scale friction strengthening effect in a few initial atomic friction periods usually occurred on few-layer graphene. Here, velocity dependent friction strengthening was observed in atomic-scale frictional behavior of graphene by atomic force microscopy (AFM). The degree of the friction strengthening decreases with the increase of velocity first and then reaches a plateau. This could be attributed to the interaction potential between the tip and graphene at high velocity which is weaker than that at low velocity, because the strong tip-graphene contact interface needs a longer time to evolve. The subatomic-scale stick-slip behavior in the conventional stick-slip motion supports the weak interaction between the tip and graphene at high velocity. These findings can provide a deeper understanding of the atomic-scale friction mechanism of graphene and other two-dimensional materials.

NC-AFM observation of atomic scale structure of rutile-type TiO2(110) surface prepared by wet chemical process.

PubMed

Namai, Yoshimichi; Matsuoka, Osamu

2006-04-06

We succeeded in observing the atomic scale structure of a rutile-type TiO2(110) single-crystal surface prepared by the wet chemical method of chemical etching in an acid solution and surface annealing in air. Ultrahigh vacuum noncontact atomic force microscopy (UHV-NC-AFM) was used for observing the atomic scale structures of the surface. The UHV-NC-AFM measurements at 450 K, which is above a desorption temperature of molecularly adsorbed water on the TiO2(110) surface, enabled us to observe the atomic scale structure of the TiO2(110) surface prepared by the wet chemical method. In the UHV-NC-AFM measurements at room temperature (RT), however, the atomic scale structure of the TiO2(110) surface was not observed. The TiO2(110) surface may be covered with molecularly adsorbed water after the surface was prepared by the wet chemical method. The structure of the TiO2(110) surface that was prepared by the wet chemical method was consistent with the (1 x 1) bulk-terminated model of the TiO2(110) surface.

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens [Fast Atomic-Scale Chemical Imaging of Crystalline Materials by STEM Energy-Dispersive X-ray Spectroscopy Achieved with Thin Specimens].

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

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

Abstract Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm 2with the acquisition time of ~2 s or less. Here we report the details of this method, and, inmore » particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO 3in [001] projection for 200 keV electrons.« less

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens [Fast Atomic-Scale Chemical Imaging of Crystalline Materials by STEM Energy-Dispersive X-ray Spectroscopy Achieved with Thin Specimens].

DOE PAGES

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

2017-02-23

Abstract Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm 2with the acquisition time of ~2 s or less. Here we report the details of this method, and, inmore » particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO 3in [001] projection for 200 keV electrons.« less

Coexistence of multiphase superconductivity and ferromagnetism in lithiated iron selenide hydroxide [(L i1 -xF ex) OH ]FeSe

NASA Astrophysics Data System (ADS)

Urban, Christian; Valmianski, Ilya; Pachmayr, Ursula; Basaran, Ali C.; Johrendt, Dirk; Schuller, Ivan K.

2018-01-01

We present experimental evidence for (a) multiphase superconductivity and (b) coexistence of magnetism and superconductivity in a single structural phase of lithiated iron selenide hydroxide [(L i1 -xF ex )OH]FeSe. Magnetic field modulated microwave spectroscopy data confirms superconductivity with at least two distinct transition temperatures attributed to well-defined superconducting phases at TSC 1=40 ±2 K and TSC 2=35 ±2 K. Magnetometry data for the upper critical fields reveal a change in the magnetic order (TM=12 K) below TSC 1 and TSC 2 that is consistent with ferromagnetism. This occurs because the superconducting coherence length is much smaller than the structural coherence length, allowing for several different electronic and magnetic states on a single crystallite. The results give insight into the physics of complex multinary materials, where several phenomena governed by different characteristic length scales coexist.

Toward atomic-scale bright-field electron tomography for the study of fullerene-like nanostructures.

PubMed

Bar Sadan, Maya; Houben, Lothar; Wolf, Sharon G; Enyashin, Andrey; Seifert, Gotthard; Tenne, Reshef; Urban, Knut

2008-03-01

We present the advancement of electron tomography for three-dimensional structure reconstruction of fullerene-like particles toward atomic-scale resolution. The three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is achieved by the combination of low voltage operation of the electron microscope with aberration-corrected phase contrast imaging. The method enables the study of defects and irregularities in the three-dimensional structure of individual fullerene-like particles on the scale of 2-3 A. Control over shape, size, and atomic architecture is a key issue in synthesis and design of functional nanoparticles. Transmission electron microscopy (TEM) is the primary technique to characterize materials down to the atomic level, albeit the images are two-dimensional projections of the studied objects. Recent advancements in aberration-corrected TEM have demonstrated single atom sensitivity for light elements at subångström resolution. Yet, the resolution of tomographic schemes for three-dimensional structure reconstruction has not surpassed 1 nm3, preventing it from becoming a powerful tool for characterization in the physical sciences on the atomic scale. Here we demonstrate that negative spherical aberration imaging at low acceleration voltage enables tomography down to the atomic scale at reduced radiation damage. First experimental data on the three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is presented. The method is applicable to the analysis of the atomic architecture of a wide range of nanostructures where strong electron channeling is absent, in particular to carbon fullerenes and inorganic fullerenes.

Multiscaling behavior of atomic-scale friction

NASA Astrophysics Data System (ADS)

Jannesar, M.; Jamali, T.; Sadeghi, A.; Movahed, S. M. S.; Fesler, G.; Meyer, E.; Khoshnevisan, B.; Jafari, G. R.

2017-06-01

The scaling behavior of friction between rough surfaces is a well-known phenomenon. It might be asked whether such a scaling feature also exists for friction at an atomic scale despite the absence of roughness on atomically flat surfaces. Indeed, other types of fluctuations, e.g., thermal and instrumental fluctuations, become appreciable at this length scale and can lead to scaling behavior of the measured atomic-scale friction. We investigate this using the lateral force exerted on the tip of an atomic force microscope (AFM) when the tip is dragged over the clean NaCl (001) surface in ultra-high vacuum at room temperature. Here the focus is on the fluctuations of the lateral force profile rather than its saw-tooth trend; we first eliminate the trend using the singular value decomposition technique and then explore the scaling behavior of the detrended data, which contains only fluctuations, using the multifractal detrended fluctuation analysis. The results demonstrate a scaling behavior for the friction data ranging from 0.2 to 2 nm with the Hurst exponent H =0.61 ±0.02 at a 1 σ confidence interval. Moreover, the dependence of the generalized Hurst exponent, h (q ) , on the index variable q confirms the multifractal or multiscaling behavior of the nanofriction data. These results prove that fluctuation of nanofriction empirical data has a multifractal behavior which deviates from white noise.

Ultracold collisions between Rb atoms and a Sr+ ion

NASA Astrophysics Data System (ADS)

Meir, Ziv; Sikorsky, Tomas; Ben-Shlomi, Ruti; Dallal, Yehonatan; Ozeri, Roee

2015-05-01

In last decade, a novel field emerged, in which ultracold atoms and ions in overlapping traps are brought into interaction. In contrast to the short ranged atom-atom interaction which scales as r-6, atom-ion potential persists for hundreds of μm's due to its lower power-law scaling - r-4. Inelastic collisions between the consistuents lead to spin and charge transfer and also to molecule formation. Elastic collisions control the energy transfer between the ion and the atoms. The study of collisions at the μK range has thus far been impeded by the effect of the ion's micromotion which limited collision energy to mK scale. Unraveling this limit will allow to investigate few partial wave and even S-wave collisions. Our system is capable of trapping Sr+ ions and Rb and Sr atoms and cooling them to their quantum ground state. Atoms and ions are trapped and cooled in separate chambers. Then, the atoms are transported using an optical conveyer belt to overlap the ions. In contrast to other experiments in this field where the atoms are used to sympathetic cool the ion, our system is also capable of ground state cooling the ion before immersing it into the atom cloud. By this method, we would be able to explore heating and cooling dynamics in the ultracold regime.

Atomic-Scale Variations of the Mechanical Response of 2D Materials Detected by Noncontact Atomic Force Microscopy.

PubMed

de la Torre, B; Ellner, M; Pou, P; Nicoara, N; Pérez, Rubén; Gómez-Rodríguez, J M

2016-06-17

We show that noncontact atomic force microscopy (AFM) is sensitive to the local stiffness in the atomic-scale limit on weakly coupled 2D materials, as graphene on metals. Our large amplitude AFM topography and dissipation images under ultrahigh vacuum and low temperature resolve the atomic and moiré patterns in graphene on Pt(111), despite its extremely low geometric corrugation. The imaging mechanisms are identified with a multiscale model based on density-functional theory calculations, where the energy cost of global and local deformations of graphene competes with short-range chemical and long-range van der Waals interactions. Atomic contrast is related with short-range tip-sample interactions, while the dissipation can be understood in terms of global deformations in the weakly coupled graphene layer. Remarkably, the observed moiré modulation is linked with the subtle variations of the local interplanar graphene-substrate interaction, opening a new route to explore the local mechanical properties of 2D materials at the atomic scale.

The Chip-Scale Atomic Clock - Low-Power Physics Package

DTIC Science & Technology

2004-12-01

36th Annual Precise Time and Time Interval (PTTI) Meeting 339 THE CHIP-SCALE ATOMIC CLOCK – LOW-POWER PHYSICS PACKAGE R. Lutwak ...pdf/documents/ds-x72.pdf [2] R. Lutwak , D. Emmons, W. Riley, and R. M. Garvey, 2003, “The Chip-Scale Atomic Clock – Coherent Population Trapping vs...2002, Reston, Virginia, USA (U.S. Naval Observatory, Washington, D.C.), pp. 539-550. [3] R. Lutwak , D. Emmons, T. English, and W. Riley, 2004

Atomic-scale diffractive imaging of sub-cycle electron dynamics in condensed matter

PubMed Central

Yakovlev, Vladislav S.; Stockman, Mark I.; Krausz, Ferenc; Baum, Peter

2015-01-01

For interaction of light with condensed-matter systems, we show with simulations that ultrafast electron and X-ray diffraction can provide a time-dependent record of charge-density maps with sub-cycle and atomic-scale resolutions. Using graphene as an example material, we predict that diffraction can reveal localised atomic-scale origins of optical and electronic phenomena. In particular, we point out nontrivial relations between microscopic electric current and density in undoped graphene. PMID:26412407

Atomic-scale diffractive imaging of sub-cycle electron dynamics in condensed matter

DOE PAGES

Yakovlev, Vladislav S.; Stockman, Mark I.; Krausz, Ferenc; ...

2015-09-28

For interaction of light with condensed-matter systems, we show with simulations that ultrafast electron and X-ray diffraction can provide a time-dependent record of charge-density maps with sub-cycle and atomic-scale resolutions. Using graphene as an example material, we predict that diffraction can reveal localised atomic-scale origins of optical and electronic phenomena. Here, we point out nontrivial relations between microscopic electric current and density in undoped graphene.

Correspondence: Reply to ‘Phantom phonon localization in relaxors’

DOE PAGES

Manley, Michael E.; Abernathy, Douglas L.; Budai, John D.

2017-12-05

The Correspondence by Gehring et al. mistakes Anderson phonon localization for the concept of an atomic-scale local mode. An atomic-scale local mode refers to a single atom vibrating on its own within a crystal. Such a local mode will have an almost flat intensity profile, but this is not the same as phonon localization. Anderson localization is a wave interference effect in a disordered system that results in waves becoming spatially localized. The length scale of the localized waves is set by the wavelength, which is approximately 2 nm in this case. This larger length scale in real space meansmore » narrower intensity profiles in reciprocal space. Here, we conclude that the claims in the Correspondence by Gehring et al. are incorrect because they mistakenly assume that the length scale for Anderson localization is atomic, and because the experimental observations rule out multiple scattering as the origin.« less

Correspondence: Reply to ‘Phantom phonon localization in relaxors’

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

Manley, Michael E.; Abernathy, Douglas L.; Budai, John D.

The Correspondence by Gehring et al. mistakes Anderson phonon localization for the concept of an atomic-scale local mode. An atomic-scale local mode refers to a single atom vibrating on its own within a crystal. Such a local mode will have an almost flat intensity profile, but this is not the same as phonon localization. Anderson localization is a wave interference effect in a disordered system that results in waves becoming spatially localized. The length scale of the localized waves is set by the wavelength, which is approximately 2 nm in this case. This larger length scale in real space meansmore » narrower intensity profiles in reciprocal space. Here, we conclude that the claims in the Correspondence by Gehring et al. are incorrect because they mistakenly assume that the length scale for Anderson localization is atomic, and because the experimental observations rule out multiple scattering as the origin.« less

Atomic-order thermal nitridation of group IV semiconductors for ultra-large-scale integration

NASA Astrophysics Data System (ADS)

Murota, Junichi; Le Thanh, Vinh

2015-03-01

One of the main requirements for ultra-large-scale integration (ULSI) is atomic-order control of process technology. Our concept of atomically controlled processing for group IV semiconductors is based on atomic-order surface reaction control in Si-based CVD epitaxial growth. On the atomic-order surface nitridation of a few nm-thick Ge/about 4 nm-thick Si0.5Ge0.5/Si(100) by NH3, it is found that N atoms diffuse through nm-order thick Ge layer into Si0.5Ge0.5/Si(100) substrate and form Si nitride, even at 500 °C. By subsequent H2 heat treatment, although N atomic amount in Ge layer is reduced drastically, the reduction of the Si nitride is slight. It is suggested that N diffusion in Ge layer is suppressed by the formation of Si nitride and that Ge/atomic-order N layer/Si1-xGex/Si (100) heterostructure is formed. These results demonstrate the capability of CVD technology for atomically controlled nitridation of group IV semiconductors for ultra-large-scale integration. Invited talk at the 7th International Workshop on Advanced Materials Science and Nanotechnology IWAMSN2014, 2-6 November, 2014, Ha Long, Vietnam.

Haz-Map Glossary

MedlinePlus

... lung. Radiation Accident Large-scale accidents from atomic bomb testing fallout released iodine-131 and strontium-90. ... lung. Radiation Accident Large-scale accidents from atomic bomb testing fallout released iodine-131 and strontium-90. ...

Directed Atom-by-Atom Assembly of Dopants in Silicon.

PubMed

Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

2018-05-17

The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.

Solid-state electrochemistry on the nanometer and atomic scales: the scanning probe microscopy approach

DOE PAGES

Strelcov, Evgheni; Yang, Sang Mo; Jesse, Stephen; ...

2016-04-21

Energy technologies of the 21st century require an understanding and precise control over ion transport and electrochemistry at all length scales – from single atoms to macroscopic devices. Our short review provides a summary of recent studies dedicated to methods of advanced scanning probe microscopy for probing electrochemical transformations in solids at the meso-, nano- and atomic scales. In this discussion we present the advantages and limitations of several techniques and a wealth of examples highlighting peculiarities of nanoscale electrochemistry.

Solid-state electrochemistry on the nanometer and atomic scales: the scanning probe microscopy approach

PubMed Central

Strelcov, Evgheni; Yang, Sang Mo; Jesse, Stephen; Balke, Nina; Vasudevan, Rama K.; Kalinin, Sergei V.

2016-01-01

Energy technologies of the 21st century require understanding and precise control over ion transport and electrochemistry at all length scales – from single atoms to macroscopic devices. This short review provides a summary of recent works dedicated to methods of advanced scanning probe microscopy for probing electrochemical transformations in solids at the meso-, nano- and atomic scales. Discussion presents advantages and limitations of several techniques and a wealth of examples highlighting peculiarities of nanoscale electrochemistry. PMID:27146961

Atomic-scale epitaxial aluminum film on GaAs substrate

NASA Astrophysics Data System (ADS)

Fan, Yen-Ting; Lo, Ming-Cheng; Wu, Chu-Chun; Chen, Peng-Yu; Wu, Jenq-Shinn; Liang, Chi-Te; Lin, Sheng-Di

2017-07-01

Atomic-scale metal films exhibit intriguing size-dependent film stability, electrical conductivity, superconductivity, and chemical reactivity. With advancing methods for preparing ultra-thin and atomically smooth metal films, clear evidences of the quantum size effect have been experimentally collected in the past two decades. However, with the problems of small-area fabrication, film oxidation in air, and highly-sensitive interfaces between the metal, substrate, and capping layer, the uses of the quantized metallic films for further ex-situ investigations and applications have been seriously limited. To this end, we develop a large-area fabrication method for continuous atomic-scale aluminum film. The self-limited oxidation of aluminum protects and quantizes the metallic film and enables ex-situ characterizations and device processing in air. Structure analysis and electrical measurements on the prepared films imply the quantum size effect in the atomic-scale aluminum film. Our work opens the way for further physics studies and device applications using the quantized electronic states in metals.

Atomic scale observation of oxygen delivery during silver–oxygen nanoparticle catalysed oxidation of carbon nanotubes

PubMed Central

Yue, Yonghai; Yuchi, Datong; Guan, Pengfei; Xu, Jia; Guo, Lin; Liu, Jingyue

2016-01-01

To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmental transmission electron microscopy to investigate the atomic scale processes of silver-based nanoparticles, which catalyse the oxidation of multi-wall carbon nanotubes. A direct semi-quantitative estimate of the oxidized carbon atoms by silver-based nanoparticles is achieved. A mechanism similar to the Mars–van Krevelen process is invoked to explain the catalytic oxidation process. Theoretical calculations, together with the experimental data, suggest that the oxygen molecules dissociate on the surface of silver nanoparticles and diffuse through the silver nanoparticles to reach the silver/carbon interfaces and subsequently oxidize the carbon. The lattice distortion caused by oxygen concentration gradient within the silver nanoparticles provides the direct evidence for oxygen diffusion. Such direct observation of atomic scale dynamics provides an important general methodology for investigations of catalytic processes. PMID:27406595

Spin ensemble-based AC magnetometry using concatenated dynamical decoupling at low temperatures

NASA Astrophysics Data System (ADS)

Farfurnik, D.; Jarmola, A.; Budker, D.; Bar-Gill, N.

2018-01-01

Ensembles of nitrogen-vacancy centers in diamond are widely used as AC magnetometers. While such measurements are usually performed using standard (XY) dynamical decoupling (DD) protocols at room temperature, we study the sensitivities achieved by utilizing various DD protocols, for measuring magnetic AC fields at frequencies in the 10-250 kHz range, at room temperature and 77 K. By performing measurements on an isotopically pure 12C sample, we find that the Carr-Purcell-Meiboom-Gill protocol, which is not robust against pulse imperfections, is less efficient for magnetometry than robust XY-based sequences. The concatenation of a standard XY-based protocol may enhance the sensitivities only for measuring high-frequency fields, for which many (> 500) DD pulses are necessary and the robustness against pulse imperfections is critical. Moreover, we show that cooling is effective only for measuring low-frequency fields (˜10 kHz), for which the experiment time approaches T 1 at a small number of applied DD pulses.

Iron oxides in human spleen.

PubMed

Kopáni, Martin; Miglierini, Marcel; Lančok, Adriana; Dekan, Július; Čaplovicová, Mária; Jakubovský, Ján; Boča, Roman; Mrazova, Hedviga

2015-10-01

Iron is an essential element for fundamental cell functions and a catalyst for chemical reactions. Three samples extracted from the human spleen were investigated by scanning (SEM) and transmission electron microscopy (TEM), Mössbauer spectrometry (MS), and SQUID magnetometry. The sample with diagnosis of hemosiderosis (H) differs from that referring to hereditary spherocytosis and the reference sample. SEM reveals iron-rich micrometer-sized aggregate of various structures-tiny fibrils in hereditary spherocytosis sample and no fibrils in hemochromatosis. Hematite and magnetite particles from 2 to 6 μm in TEM with diffraction in all samples were shown. The SQUID magnetometry shows different amount of diamagnetic, paramagnetic and ferrimagnetic structures in the tissues. The MS results indicate contribution of ferromagnetically split sextets for all investigated samples. Their occurrence indicates that at least part of the sample is magnetically ordered below the critical temperature. The iron accumulation process is different in hereditary spherocytosis and hemosiderosis. This fact may be the reason of different iron crystallization.

A novel method for the functionalization of aminoacids L-glycine, L-glutamic acid and L-arginine on maghemite/magnetite nanoparticles

NASA Astrophysics Data System (ADS)

Bruno, A. J.; Correa, J. R.; Peláez-Abellán, E.; Urones-Garrote, E.

2018-06-01

Nanoparticles of maghemite/magnetite functionalized with L-glycine, L-glutamic acid and L-arginine were synthesized by a novel method. The novel procedure consists in an alternative of that reported by Massart for the precipitation of magnetite in which the aminoacid is added in the carboxylate form. The amounts of aminoacid in the initial molar concentrations were 35%, 45% and 65% with respect to the ferrophase. The obtained nanoparticles were characterized by several techniques: X-ray diffraction (XRD), Fourier transform IR spectroscopy (FT-IR), transmission electron microscopy (TEM), Electron energy-loss spectroscopy (EELS) and magnetometry. The IR spectroscopy confirmed that the selected aminoacids were functionalized on the surface of iron oxide. XRD and EELS confirm that iron oxide consists of a maghemite-magnetite intermediate phase with an average particle size about 6 nm, which was measured by transmission electron microscopy. The superparamagnetic character of the nanoparticles was evaluated by magnetometry.

Morphology and orientational behavior of silica-coated spindle-type hematite particles in a magnetic field probed by small-angle X-ray scattering.

PubMed

Reufer, Mathias; Dietsch, Hervé; Gasser, Urs; Hirt, Ann; Menzel, Andreas; Schurtenberger, Peter

2010-04-15

Form factor and magnetic properties of silica-coated spindle-type hematite nanoparticles are determined from SAXS measurements with applied magnetic field and magnetometry measurements. The particle size, polydispersity and porosity are determined using a core-shell model for the form factor. The particles are found to align with their long axis perpendicular to the applied field. The orientational order is determined from the SAXS data and compared to the orientational order obtained from magnetometry. The direct access to both, the orientational order of the particles, and the magnetic moments allow one to determine the magnetic properties of the individual spindle-type hematite particles. We study the influence of the silica coating on the magnetic properties and find a fundamentally different behavior of silica-coated particles. The silica coating reduces the effective magnetic moment of the particles. This effect is enhanced with field strength and can be explained by superparamagnetic relaxation in the highly porous particles.

Robust procedure for creating and characterizing the atomic structure of scanning tunneling microscope tips.

PubMed

Tewari, Sumit; Bastiaans, Koen M; Allan, Milan P; van Ruitenbeek, Jan M

2017-01-01

Scanning tunneling microscopes (STM) are used extensively for studying and manipulating matter at the atomic scale. In spite of the critical role of the STM tip, procedures for controlling the atomic-scale shape of STM tips have not been rigorously justified. Here, we present a method for preparing tips in situ while ensuring the crystalline structure and a reproducibly prepared tip structure up to the second atomic layer. We demonstrate a controlled evolution of such tips starting from undefined tip shapes.

Energy Scaling of Cold Atom-Atom-Ion Three-Body Recombination

NASA Astrophysics Data System (ADS)

Krükow, Artjom; Mohammadi, Amir; Härter, Arne; Denschlag, Johannes Hecker; Pérez-Ríos, Jesús; Greene, Chris H.

2016-05-01

We study three-body recombination of Ba++Rb +Rb in the mK regime where a single 138Ba+ ion in a Paul trap is immersed into a cloud of ultracold 87Rb atoms. We measure the energy dependence of the three-body rate coefficient k3 and compare the results to the theoretical prediction, k3∝Ecol-3 /4, where Ecol is the collision energy. We find agreement if we assume that the nonthermal ion energy distribution is determined by at least two different micromotion induced energy scales. Furthermore, using classical trajectory calculations we predict how the median binding energy of the formed molecules scales with the collision energy. Our studies give new insights into the kinetics of an ion immersed in an ultracold atom cloud and yield important prospects for atom-ion experiments targeting the s -wave regime.

Heat transport through atomic contacts.

PubMed

Mosso, Nico; Drechsler, Ute; Menges, Fabian; Nirmalraj, Peter; Karg, Siegfried; Riel, Heike; Gotsmann, Bernd

2017-05-01

Heat transport and dissipation at the nanoscale severely limit the scaling of high-performance electronic devices and circuits. Metallic atomic junctions serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects that occur in one-dimensional (1D) systems. Whereas charge transport in atomic junctions has been studied intensively in the past two decades, heat transport remains poorly characterized because it requires the combination of a high sensitivity to small heat fluxes and the formation of stable atomic contacts. Here we report heat-transfer measurements through atomic junctions and analyse the thermal conductance of single-atom gold contacts at room temperature. Simultaneous measurements of charge and heat transport reveal the proportionality of electrical and thermal conductance, quantized with the respective conductance quanta. This constitutes a verification of the Wiedemann-Franz law at the atomic scale.

Atomic scale chemical tomography of human bone

NASA Astrophysics Data System (ADS)

Langelier, Brian; Wang, Xiaoyue; Grandfield, Kathryn

2017-01-01

Human bone is a complex hierarchical material. Understanding bone structure and its corresponding composition at the nanometer scale is critical for elucidating mechanisms of biomineralization under healthy and pathological states. However, the three-dimensional structure and chemical nature of bone remains largely unexplored at the nanometer scale due to the challenges associated with characterizing both the structural and chemical integrity of bone simultaneously. Here, we use correlative transmission electron microscopy and atom probe tomography for the first time, to our knowledge, to reveal structures in human bone at the atomic level. This approach provides an overlaying chemical map of the organic and inorganic constituents of bone on its structure. This first use of atom probe tomography on human bone reveals local gradients, trace element detection of Mg, and the co-localization of Na with the inorganic-organic interface of bone mineral and collagen fibrils, suggesting the important role of Na-rich organics in the structural connection between mineral and collagen. Our findings provide the first insights into the hierarchical organization and chemical heterogeneity in human bone in three-dimensions at its smallest length scale - the atomic level. We demonstrate that atom probe tomography shows potential for new insights in biomineralization research on bone.

Direct atomic-scale imaging of hydrogen and oxygen interstitials in pure niobium using atom-probe tomography and aberration-corrected scanning transmission electron microscopy.

PubMed

Kim, Yoon-Jun; Tao, Runzhe; Klie, Robert F; Seidman, David N

2013-01-22

Imaging the three-dimensional atomic-scale structure of complex interfaces has been the goal of many recent studies, due to its importance to technologically relevant areas. Combining atom-probe tomography and aberration-corrected scanning transmission electron microscopy (STEM), we present an atomic-scale study of ultrathin (~5 nm) native oxide layers on niobium (Nb) and the formation of ordered niobium hydride phases near the oxide/Nb interface. Nb, an elemental type-II superconductor with the highest critical temperature (T(c) = 9.2 K), is the preferred material for superconducting radio frequency (SRF) cavities in next-generation particle accelerators. Nb exhibits high solubilities for oxygen and hydrogen, especially within the RF-field penetration depth, which is believed to result in SRF quality factor losses. STEM imaging and electron energy-loss spectroscopy followed by ultraviolet laser-assisted local-electrode atom-probe tomography on the same needle-like sample reveals the NbO(2), Nb(2)O(5), NbO, Nb stacking sequence; annular bright-field imaging is used to visualize directly hydrogen atoms in bulk β-NbH.

Atomic scale dynamics of a solid state chemical reaction directly determined by annular dark-field electron microscopy.

PubMed

Pennycook, Timothy J; Jones, Lewys; Pettersson, Henrik; Coelho, João; Canavan, Megan; Mendoza-Sanchez, Beatriz; Nicolosi, Valeria; Nellist, Peter D

2014-12-22

Dynamic processes, such as solid-state chemical reactions and phase changes, are ubiquitous in materials science, and developing a capability to observe the mechanisms of such processes on the atomic scale can offer new insights across a wide range of materials systems. Aberration correction in scanning transmission electron microscopy (STEM) has enabled atomic resolution imaging at significantly reduced beam energies and electron doses. It has also made possible the quantitative determination of the composition and occupancy of atomic columns using the atomic number (Z)-contrast annular dark-field (ADF) imaging available in STEM. Here we combine these benefits to record the motions and quantitative changes in the occupancy of individual atomic columns during a solid-state chemical reaction in manganese oxides. These oxides are of great interest for energy-storage applications such as for electrode materials in pseudocapacitors. We employ rapid scanning in STEM to both drive and directly observe the atomic scale dynamics behind the transformation of Mn3O4 into MnO. The results demonstrate we now have the experimental capability to understand the complex atomic mechanisms involved in phase changes and solid state chemical reactions.

Molecular dynamics investigation of dynamical heterogeneity and local structure in the supercooled liquid and glass states of Al

NASA Astrophysics Data System (ADS)

Li, Maozhi; Wang, Cai-Zhuang; Mendelev, Mikhail I.; Ho, Kai-Ming

2008-05-01

Molecular dynamics simulations are performed to study the structure and dynamical heterogeneity in the liquid and glass states of Al using a frequently employed embedded atom potential. While the pair correlation function of the glass and liquid states displays only minor differences, the icosahedral short-range order (ISRO) and the dynamics of the two states are very different. The ISRO is much stronger in the glass than in the liquid. It is also found that both the most mobile and the most immobile atoms in the glass state tend to form clusters, and the clusters formed by the immobile atoms are more compact. In order to investigate the local environment of each atom in the liquid and glass states, a local density is defined to characterize the local atomic packing. There is a strong correlation between the local packing density and the mobility of the atoms. These results indicate that dynamical heterogeneity in glasses is directly correlated to the local structure. We also analyze the diffusion mechanisms of atoms in the liquid and glass states. It is found that for the mobile atoms in the glass state, initially they are confined in the cages formed by their nearest neighbors and vibrating. On the time scale of β relaxation, the mobile atoms try to break up the cage confinement and hop into new cages. In the supercooled liquid states, however, atoms continuously diffuse. Furthermore, it is found that on the time scale of β relaxation, some of the mobile atoms in the glass state cooperatively hop, which is facilitated by the stringlike cluster structures. On the longer time scale, it is found that a certain fraction of atoms can simultaneously hop, although they are not nearest neighbors. Further analysis shows that these hopping atoms form big and more compact clusters than the characterized most mobile atoms. The cooperative rearrangement of these big compact clusters might facilitate the simultaneous hopping of atoms in the glass states on the long time scale.

Determination of atomic-scale chemical composition at semiconductor heteroepitaxial interfaces by high-resolution transmission electron microscopy.

PubMed

Wen, C; Ma, Y J

2018-03-01

The determination of atomic structures and further quantitative information such as chemical compositions at atomic scale for semiconductor defects or heteroepitaxial interfaces can provide direct evidence to understand their formation, modification, and/or effects on the properties of semiconductor films. The commonly used method, high-resolution transmission electron microscopy (HRTEM), suffers from difficulty in acquiring images that correctly show the crystal structure at atomic resolution, because of the limitation in microscope resolution or deviation from the Scherzer-defocus conditions. In this study, an image processing method, image deconvolution, was used to achieve atomic-resolution (∼1.0 Å) structure images of small lattice-mismatch (∼1.0%) AlN/6H-SiC (0001) and large lattice-mismatch (∼8.5%) AlSb/GaAs (001) heteroepitaxial interfaces using simulated HRTEM images of a conventional 300-kV field-emission-gun transmission electron microscope under non-Scherzer-defocus conditions. Then, atomic-scale chemical compositions at the interface were determined for the atomic intermixing and Lomer dislocation with an atomic step by analyzing the deconvoluted image contrast. Furthermore, the effect of dynamical scattering on contrast analysis was also evaluated for differently weighted atomic columns in the compositions. Copyright © 2018 Elsevier Ltd. All rights reserved.

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.

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens.

PubMed

Lu, Ping; Yuan, Renliang; Zuo, Jian Min

2017-02-01

Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm2 with the acquisition time of ~2 s or less. Here we report the details of this method, and, in particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO3 in [001] projection for 200 keV electrons.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

NASA Astrophysics Data System (ADS)

Song, Chenchen; Martínez, Todd J.

2017-01-01

In the first paper of the series [Paper I, C. Song and T. J. Martinez, J. Chem. Phys. 144, 174111 (2016)], we showed how tensor-hypercontracted (THC) SOS-MP2 could be accelerated by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs). This reduced the formal scaling of the SOS-MP2 energy calculation to cubic with respect to system size. The computational bottleneck then becomes the THC metric matrix inversion, which scales cubically with a large prefactor. In this work, the local THC approximation is proposed to reduce the computational cost of inverting the THC metric matrix to linear scaling with respect to molecular size. By doing so, we have removed the primary bottleneck to THC-SOS-MP2 calculations on large molecules with O(1000) atoms. The errors introduced by the local THC approximation are less than 0.6 kcal/mol for molecules with up to 200 atoms and 3300 basis functions. Together with the graphical processing unit techniques and locality-exploiting approaches introduced in previous work, the scaled opposite spin MP2 (SOS-MP2) calculations exhibit O(N2.5) scaling in practice up to 10 000 basis functions. The new algorithms make it feasible to carry out SOS-MP2 calculations on small proteins like ubiquitin (1231 atoms/10 294 atomic basis functions) on a single node in less than a day.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.

PubMed

Song, Chenchen; Martínez, Todd J

2017-01-21

In the first paper of the series [Paper I, C. Song and T. J. Martinez, J. Chem. Phys. 144, 174111 (2016)], we showed how tensor-hypercontracted (THC) SOS-MP2 could be accelerated by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs). This reduced the formal scaling of the SOS-MP2 energy calculation to cubic with respect to system size. The computational bottleneck then becomes the THC metric matrix inversion, which scales cubically with a large prefactor. In this work, the local THC approximation is proposed to reduce the computational cost of inverting the THC metric matrix to linear scaling with respect to molecular size. By doing so, we have removed the primary bottleneck to THC-SOS-MP2 calculations on large molecules with O(1000) atoms. The errors introduced by the local THC approximation are less than 0.6 kcal/mol for molecules with up to 200 atoms and 3300 basis functions. Together with the graphical processing unit techniques and locality-exploiting approaches introduced in previous work, the scaled opposite spin MP2 (SOS-MP2) calculations exhibit O(N 2.5 ) scaling in practice up to 10 000 basis functions. The new algorithms make it feasible to carry out SOS-MP2 calculations on small proteins like ubiquitin (1231 atoms/10 294 atomic basis functions) on a single node in less than a day.

Effect of atomizer scale and fluid properties on atomization mechanisms and spray characteristics

NASA Astrophysics Data System (ADS)

Waind, Travis

Atomization is chaos. The breakup of liquid structures by a gas encompasses such a wide range of possible configurations that a definitive mechanism describing breakup in any and all situations is an impossibility. However, when focus is applied, trends can be teased out of experimental data that seem to appropriately describe the action undertaken. These studies sought to better understand atomization, specifically coaxial, two-stream, airblast (or air-assist) atomization in which a central liquid jet is broken up by an annular, high-velocity gas stream. The studies enclosed focused on identifying the effect of changing the atomizer's scale on atomization. While most (but not all) atomization studies only focus on the resulting far-field drop diameters, these studies placed the focus largely on the intermediate structures, in the form of the intact liquid jet (ILJ), while also quantifying the resulting drop diameters. The location and shape of the ILJ constantly change, and on its surface, wavelengths were seen to form and grow, which have been correlated to the resulting drop diameters in previous studies. The studies enclosed herein are unique in that they attempt to apply and explain exiting mechanism-based breakup mechanisms to regimes, fluids, and geometry changes not yet evaluated in the literature. Existing correlations were compared to the experimental data for a range of atomizer geometries, and when they were found lacking, Buckingham-(Pi) theorem was used to develop new correlations for predicting behavior. Additionally, the method developed for the calculation of these parameters for other image sets is included, allowing for easy comparison and value verification. A small-scale, coaxial atomization system was used to atomize water and two silicone oils with air. The atomizers used in these studies had the same general geometry type, but had varying sizes, allowing for the effect of both scale and geometry to be evaluated. These studies quantified instability development and growth along with the resulting spray characteristics, allowing for correlations to be made between the two data sets as the more recent mechanism-based atomization models do. Existing mechanism-based models from the literature are compared to the experimental results, as these existing models have not been evaluated significantly with changing atomizer geometry, high-viscosity fluids, and high flow regimes as was done here. Additionally, two experimental campaigns were undertaken with atomizers used to operate the University of Utah's PDU-scale (process development unit) entrained flow gasifier. The first campaign showed the effect of gas velocity, atomizer load (total flow), and gas-liquid impingement angle on the qualitative cold-flow atomizer performance. These trends are then tied to behavior of the entrained flow gasifier, showing the existence of a minimum required degree of atomization to avoid substantial losses in fuel conversion and efficiency in a gasifier. The second campaign showed the effect of gas flow, liquid flow, and fluid on the quantitative cold-flow atomizer performance. While in the literature, changing fluid properties of Newtonian fluids are shown to have a relatively linear response on atomizer performance, the behavior of non-Newtonian fluids was shown to be much more complex and difficult to predict. The correlations developed for the small-scale atomizers are applied to the micro-hole atomizers and found to be erroneous for the change in atomizer geometry. Buckingham-(Pi) theorem is then used to develop correlations to predict the spray Sauter mean diameter for the micro-hole atomizers. Slurry-fed combustion and gasification systems are but one industrial implementation of atomization. Atomization plays important roles in numerous other industries, and despite decades of study, it is not well understood. This document serves to shed some light on a few small, specific subsets of the topic.

Implementation of Shifted Periodic Boundary Conditions in the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Software

DTIC Science & Technology

2015-08-01

Atomic/Molecular Massively Parallel Simulator ( LAMMPS ) Software by N Scott Weingarten and James P Larentzos Approved for...Massively Parallel Simulator ( LAMMPS ) Software by N Scott Weingarten Weapons and Materials Research Directorate, ARL James P Larentzos Engility...Shifted Periodic Boundary Conditions in the Large-Scale Atomic/Molecular Massively Parallel Simulator ( LAMMPS ) Software 5a. CONTRACT NUMBER 5b

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

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.

Nanosized (mu12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x approximately 7) containing Pt-centered four-shell 165-atom Pd-Pt core with unprecedented intershell bridging carbonyl ligands: comparative analysis of icosahedral shell-growth patterns with geometrically related Pd145(CO)x(PEt3)30 (x approximately 60) containing capped three-shell Pd145 core.

PubMed

Mednikov, Evgueni G; Jewell, Matthew C; Dahl, Lawrence F

2007-09-19

Presented herein are the preparation and crystallographic/microanalytical/magnetic/spectroscopic characterization of the Pt-centered four-shell 165-atom Pd-Pt cluster, (mu(12)-Pt)Pd(164-x)Pt(x)(CO)(72)(PPh(3))(20) (x approximately 7), 1, that replaces the geometrically related capped three-shell icosahedral Pd(145) cluster, Pd(145)(CO)(x)(PEt(3))(30) (x approximately 60), 2, as the largest crystallographically determined discrete transition metal cluster with direct metal-metal bonding. A detailed comparison of their shell-growth patterns gives rise to important stereochemical implications concerning completely unexpected structural dissimilarities as well as similarities and provides new insight concerning possible synthetic approaches for generation of multi-shell metal clusters. 1 was reproducibly prepared in small yields (<10%) from the reaction of Pd(10)(CO)(12)(PPh(3))(6) with Pt(CO)(2)(PPh(3))(2). Its 165-atom metal-core geometry and 20 PPh(3) and 72 CO ligands were established from a low-temperature (100 K) CCD X-ray diffraction study. The well-determined crystal structure is attributed largely to 1 possessing cubic T(h) (2/m3) site symmetry, which is the highest crystallographic subgroup of the noncrystallographic pseudo-icosahedral I(h) (2/m35) symmetry. The "full" four-shell Pd-Pt anatomy of 1 consists of: (a) shell 1 with the centered (mu(12)-Pt) atom encapsulated by the 12-atom icosahedral Pt(x)Pd(12-x) cage, x = 1.2(3); (b) shell 2 with the 42-atom nu(2) icosahedral Pt(x)Pd(42-x) cage, x = 3.5(5); (c) shell 3 with the anti-Mackay 60-atom semi-regular rhombicosidodecahedral Pt(x)Pd(60-x) cage, x = 2.2(6); (d) shell 4 with the 50-atom nu(2) pentagonal dodecahedral Pd(50) cage. The total number of crystallographically estimated Pt atoms, 8 +/- 3, which was obtained from least-squares (Pt(x)/Pd(1-x))-occupancy analysis of the X-ray data that conclusively revealed the central atom to be pure Pt (occupancy factor, x = 1.00(3)), is fortuitously in agreement with that of 7.6(7) found from an X-ray Pt/Pd microanalysis (WDS spectrometer) on three crystals of 1. Our utilization of this site-occupancy (Pt(x)Pd(1-x))-analysis for shells 1-3 originated from the microanalytical results; otherwise, the presumed metal-core composition would have been (mu(12)-Pt)Pd(164). [Alternatively, the (mu(12)-Pt)M(164) core-geometry of 1 may be viewed as a pseudo-Ih Pt-centered six-shell successive nu(1) polyhedral system, each with radially equivalent vertex atoms: Pt@M(12)(icosahedron)@M(30)(icosidodecahedron)@M(12)(icosahedron)@M(60)(rhombicosidodecahedron)@M(30)(icosidodecahedron)@M(20)(pentagonal dodecahedron)]. Completely surprising structural dissimilarities between 1 and 2 are: (1) to date 1 is only reproducibly isolated as a heterometallic Pd-Pt cluster with a central Pt instead of Pd atom; (2) the 50 atoms comprising the outer fourth nu(2) pentagonal dodecahedral shell in 1 are less than the 60 atoms of the inner third shell in 1, in contradistinction to shell-by-shell growth processes in all other known shell-based structures; (3) the 10 fewer PR3 ligands in 1 necessitate larger bulky PPh(3) ligands to protect the Pd-Pt core-geometry; (4) the 72 CO ligands consist of six bridging COs within each of the 12 pentagons in shell 4 that are coordinated to intershell metal atoms. SQUID magnetometry measurements showed a single-crystal sample of 1 to be diamagnetic over the entire temperature range of 10-300 K.

On the dipole approximation with error estimates

NASA Astrophysics Data System (ADS)

Boßmann, Lea; Grummt, Robert; Kolb, Martin

2018-01-01

The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the wavelength is considerably larger than the atomic length scale, which holds under usual experimental conditions. We prove the dipole approximation in the limit of infinite wavelengths compared to the atomic length scale and estimate the rate of convergence. Our results include N-body Coulomb potentials and experimentally relevant electromagnetic fields such as plane waves and laser pulses.

Respiratory and Laryngeal Function during Spontaneous Speaking in Teachers with Voice Disorders

ERIC Educational Resources Information Center

Lowell, Soren Y.; Barkmeier-Kraemer, Julie M.; Hoit, Jeannette D.; Story, Brad H.

2008-01-01

Purpose: To determine if respiratory and laryngeal function during spontaneous speaking were different for teachers with voice disorders compared with teachers without voice problems. Method: Eighteen teachers, 9 with and 9 without voice disorders, were included in this study. Respiratory function was measured with magnetometry, and laryngeal…

Semantic and Phonological Task-Set Priming and Stimulus Processing Investigated Using Magnetoencephalography (MEG)

ERIC Educational Resources Information Center

McNab, F.; Rippon, G.; Hillebrand, A.; Singh, K. D.; Swithenby, S. J.

2007-01-01

In this study the neural substrates of semantic and phonological task priming and task performance were investigated using single word task-primes. Magnetoencephalography (MEG) data were analysed using Synthetic Aperture Magnetometry (SAM) to determine the spatiotemporal and spectral characteristics of cortical responses. Comparisons were made…

Structural investigations and magnetic properties of sol-gel Ni0.5Zn0.5Fe2O4 thin films for microwave heating

NASA Astrophysics Data System (ADS)

Gao, Pengzhao; Rebrov, Evgeny V.; Verhoeven, Tiny M. W. G. M.; Schouten, Jaap C.; Kleismit, Richard; Kozlowski, Gregory; Cetnar, John; Turgut, Zafer; Subramanyam, Guru

2010-02-01

Nanocrystalline Ni0.5Zn0.5Fe2O4 thin films have been synthesized with various grain sizes by a sol-gel method on polycrystalline silicon substrates. The morphology, magnetic, and microwave absorption properties of the films calcined in the 673-1073 K range were studied with x-ray diffraction, scanning electron microscopy, x-ray photoelectron spectroscopy, atomic force microscopy, vibrating sample magnetometry, and evanescent microwave microscopy. All films were uniform without microcracks. Increasing the calcination temperature from 873 to 1073 K and time from 1 to 3 h resulted in an increase of the grain size from 12 to 27 nm. The saturation and remnant magnetization increased with increasing the grain size, while the coercivity demonstrated a maximum near a critical grain size of 21 nm due to the transition from monodomain to multidomain behavior. The complex permittivity of the Ni-Zn ferrite films was measured in the frequency range of 2-15 GHz. The heating behavior was studied in a multimode microwave cavity at 2.4 GHz. The highest microwave heating rate in the temperature range of 315-355 K was observed in the film close to the critical grain size.

The local structure and ferromagnetism in Fe-implanted SrTiO3 single crystals

NASA Astrophysics Data System (ADS)

Lobacheva, O.; Chavarha, M.; Yiu, Y. M.; Sham, T. K.; Goncharova, L. V.

2014-07-01

We report a connection between the local structure of low-level Fe impurities and vacancies as the cause of ferromagnetic behavior observed in strontium titanate single crystals (STO), which were implanted with Fe and Si ions at different doses then annealed in oxygen. The effects of Fe doping and post-implantation annealing of STO were studied by X-ray Absorption Near Edge Structure (XANES) spectroscopy and Superconducting Quantum Interference Device magnetometry. XANES spectra for Fe and Ti K- and L-edge reveal the changes in the local environment of Fe and Ti following the implantation and annealing steps. The annealing in oxygen atmosphere partially healed implantation damages and changed the oxidation state of the implanted iron from metallic Fe0 to Fe2+/Fe3+ oxide. The STO single crystals were weak ferromagnets prior to implantation. The maximum saturation moment was obtained after our highest implantation dose of 2 × 1016 Fe atom/cm2, which could be correlated with the metallic Fe0 phases in addition to the presence of O/Ti vacancies. After recrystallization annealing, the ferromagnetic response disappears. Iron oxide phases with Fe2+ and Fe3+ corresponding to this regime were identified and confirmed by calculations using Real Space Multiple Scattering program (FEFF9).

Toward Deterministic Implantation of Nitrogen Vacancy Centers in Bulk Diamond Crystals

NASA Astrophysics Data System (ADS)

Brundage, T. O.; Atkins, Z.; Sangtawesin, S.; Petta, J. R.

2014-03-01

Over the last decade, research investigating the room temperature stability, coherence, and optical manipulation of spin states of the nitrogen vacancy (NV) center in diamond has made it a strong candidate for applications in magnetometry and quantum information processing. As research progresses and we begin to investigate the dynamics and scalability of multiple NV systems, the ability to place NV centers deterministically in the host material with high accuracy is critical. Here we implement a simple fabrication method for NV implantation. We expose and develop small dots in PMMA using an electron-beam lithography tool. Unexposed PMMA serves as a mask for 20 keV nitrogen-15 implantation. The implanted sample is then cleaned in a boiling mixture of nitric, sulfuric, and perchloric acid. Annealing at 850° for 2 hours allows vacancies to diffuse next to implanted nitrogen atoms, forming NV centers with an efficiency of a few percent. SRIM simulations provide nitrogen ion distribution within our diamond substrate and PMMA mask as functions of implantation energy. Thus, after balancing implantation parameters and exposure hole cross-sections, NV center placement can be achieved with accuracy limited by the precision of available electron-beam lithography equipment. Supported by the Sloan and Packard Foundations, the Army Research Office, and the National Science Foundation.

Structural and physical properties of the dust particles in Qatar and their influence on the PV panel performance.

PubMed

Aïssa, Brahim; Isaifan, Rima J; Madhavan, Vinod E; Abdallah, Amir A

2016-08-16

Recently, extensive R&D has been conducted, both by industry and academia, to significantly raise the conversion efficiency of commercial photovoltaic (PV) modules. The installation of PV systems aimed at optimizing solar energy yield is primarily dictated by its geographic location and installation design to maximize solar exposure. However, even when these characteristics have been addressed appropriately, there are other factors that adversely affect the performance of PV systems, namely the temperature-induced voltage decrease leading to a PV power loss, and the dust accumulation (soiling). The latter is the lesser acknowledged factor that significantly influences the performance of PV installations especially in the Middle East region. In this paper we report on the investigation of the structural and physical properties of the desert-dust particles in the State of Qatar. The dust particles were collected directly from the PV panels installed in desert environment and characterized by different techniques, including scanning electron, optical and atomic force microscopies, X-ray diffraction, energy-dispersive, UV-Vis, micro-Raman and Fourier transform infrared spectroscopy. The vibrating sample magnetometry analyses were also conducted to study the magnetic properties of the dust particles. The influence of the dust accumulation on the PV panel performance was also presented and discussed.

Structural and physical properties of the dust particles in Qatar and their influence on the PV panel performance

NASA Astrophysics Data System (ADS)

Aïssa, Brahim; Isaifan, Rima J.; Madhavan, Vinod E.; Abdallah, Amir A.

2016-08-01

Recently, extensive R&D has been conducted, both by industry and academia, to significantly raise the conversion efficiency of commercial photovoltaic (PV) modules. The installation of PV systems aimed at optimizing solar energy yield is primarily dictated by its geographic location and installation design to maximize solar exposure. However, even when these characteristics have been addressed appropriately, there are other factors that adversely affect the performance of PV systems, namely the temperature-induced voltage decrease leading to a PV power loss, and the dust accumulation (soiling). The latter is the lesser acknowledged factor that significantly influences the performance of PV installations especially in the Middle East region. In this paper we report on the investigation of the structural and physical properties of the desert-dust particles in the State of Qatar. The dust particles were collected directly from the PV panels installed in desert environment and characterized by different techniques, including scanning electron, optical and atomic force microscopies, X-ray diffraction, energy-dispersive, UV-Vis, micro-Raman and Fourier transform infrared spectroscopy. The vibrating sample magnetometry analyses were also conducted to study the magnetic properties of the dust particles. The influence of the dust accumulation on the PV panel performance was also presented and discussed.

Thermogravimetric and Magnetic Studies of the Oxidation and Reduction Reaction of SmCoO3 to Nanostructured Sm2O3 and Co

NASA Astrophysics Data System (ADS)

Kelly, Brian; Cichocki, Ronald; Poirier, Gerald; Unruh, Karl

The SmCoO3 to nanostructured Sm2O3 and Co oxidation and reduction reaction has been studied by thermogravimetric analysis (TGA) measurements in forming gas (FG) and inert N2 atmospheres, x-ray diffraction (XRD) and vibrating sample magnetometry (VSM). The TGA measurements showed two clearly resolvable reduction processes when heating in FG, from the initial SmCoO3 phase through an intermediate nanostructured mixture of Sm2O3 and CoO when heated to 330°C for several minutes, and then the conversion of CoO to metallic Co when heated above 500°C. These phases were confirmed by XRD and VSM. Similar measurements in N2 yielded little mass change below 900°C and coupled reduction processes at higher temperatures. Isoconversional measurements of the CoO to Co reduction reaction in FG yielded activation energies above 2eV/atom in the nanostructured system. This value is several times larger than those reported in the literature or obtained by similar measurements of bulk mixtures of Sm2O3 and CoO, suggesting the nanostructuring was the source of the large increase in activation energy.

Structural and magnetic properties of the nanocomposite materials based on a mesoporous silicon dioxide matrix

NASA Astrophysics Data System (ADS)

Grigor'eva, N. A.; Eckerlebe, H.; Eliseev, A. A.; Lukashin, A. V.; Napol'skii, K. S.; Kraje, M.; Grigor'ev, S. V.

2017-03-01

The structural and magnetic properties of the mesoporous systems based on silicon dioxide with a regular hexagonal arrangement of pores several microns in length and several nanometers in diameter, which are filled with iron compound nanofilaments in various chemical states, are studied in detail. The studies are performed using the following mutually complementary methods: transmission electron microscopy, SQUID magnetometry, electron spin resonance, Mössbauer spectroscopy, polarized neutron small-angle diffraction, and synchrotron radiation diffraction. It is shown that the iron nanoparticles in pores are mainly in the γ phase of Fe2O3 with a small addition of the α phase and atomic iron clusters. The effective magnetic field acting on a nanofilament from other nanofilaments is 11 mT and has a dipole nature, the ferromagnetic-paramagnetic transition temperature is in the range 76-94 K depending on the annealing temperature of the samples, and the temperature that corresponds to the change in the magnetic state of the iron oxide nanofilaments is T ≈ 50-60 K at H = 0 and T ≈ 80 K at H = 300 mT. It is also shown that the magnetization reversal of an array of nanofilaments is caused by the magnetostatic interaction between nanofilaments at the fields that are lower than the saturation field.

Dielectric discontinuity at interfaces in the atomic-scale limit: permittivity of ultrathin oxide films on silicon.

PubMed

Giustino, Feliciano; Umari, Paolo; Pasquarello, Alfredo

2003-12-31

Using a density-functional approach, we study the dielectric permittivity across interfaces at the atomic scale. Focusing on the static and high-frequency permittivities of SiO2 films on silicon, for oxide thicknesses from 12 A down to the atomic scale, we find a departure from bulk values in accord with experiment. A classical three-layer model accounts for the calculated permittivities and is supported by the microscopic polarization profile across the interface. The local screening varies on length scales corresponding to first-neighbor distances, indicating that the dielectric transition is governed by the chemical grading. Silicon-induced gap states are shown to play a minor role.

Single atoms in a MOT

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

Meschede, Dieter; Ueberholz, Bernd; Gomer, Victor

1999-06-11

We are experimenting with individual neutral cesium atoms stored in a magneto-optical trap. The atoms are detected by their resonance fluorescence, and fluorescence fluctuations contain signatures of the atomic internal and external degrees of freedom. This noninvasive probe provides a rich source of information about atomic dynamics at all relevant time scales.

Solid-State Diffusional Behaviors of Functional Metal Oxides at Atomic Scale.

PubMed

Chen, Jui-Yuan; Huang, Chun-Wei; Wu, Wen-Wei

2018-02-01

Metal/metal oxides have attracted extensive research interest because of their combination of functional properties and compatibility with industry. Diffusion and thermal reliability have become essential issues that require detailed study to develop atomic-scaled functional devices. In this work, the diffusional reaction behavior that transforms piezoelectric ZnO into magnetic Fe 3 O 4 is investigated at the atomic scale. The growth kinetics of metal oxides are systematically studied through macro- and microanalyses. The growth rates are evaluated by morphology changes, which determine whether the growth behavior was a diffusion- or reaction-controlled process. Furthermore, atom attachment on the kink step is observed at the atomic scale, which has important implications for the thermodynamics of functional metal oxides. Faster growth planes simultaneously decrease, which result in the predominance of low surface energy planes. These results directly reveal the atomic formation process of metal oxide via solid-state diffusion. In addition, the nanofabricated method provides a novel approach to investigate metal oxide evolution and sheds light on diffusional reaction behavior. More importantly, the results and phenomena of this study provide considerable inspiration to enhance the material stability and reliability of metal/oxide-based devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular Dynamics Study of Poly And Monocrystalline CdS/CdTe Junctions and Cu Doped Znte Back Contacts for Solar Cell Applications

NASA Astrophysics Data System (ADS)

Aguirre, Rodolfo, II

Cadmium telluride (CdTe) is a material used to make solar cells because it absorbs the sunlight very efficiently and converts it into electricity. However, CdTe modules suffer from degradation of 1% over a period of 1 year. Improvements on the efficiency and stability can be achieved by designing better materials at the atomic scale. Experimental techniques to study materials at the atomic scale, such as Atomic Probe Tomography (APT) and Transmission Electron Microscope (TEM) are expensive and time consuming. On the other hand, Molecular Dynamics (MD) offers an inexpensive and fast computer simulation technique to study the growth evolution of materials with atomic scale resolution. In combination with advance characterization software, MD simulations provide atomistic visualization, defect analysis, structure maps, 3-D atomistic view, and composition profiles. MD simulations help to design better quality materials by predicting material behavior at the atomic scale. In this work, a new MD method to study several phenomena such as polycrystalline growth of CdTe-based materials, interdiffusion of atoms at interfaces, and deposition of a copper doped ZnTe back contact is established. Results are compared with experimental data found in the literature and experiments performed and shown to be in remarkably good agreement.

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.

Direct Observation of Inherent Atomic-Scale Defect Disorders responsible for High-Performance Ti1-x Hfx NiSn1-y Sby Half-Heusler Thermoelectric Alloys.

PubMed

Kim, Ki Sung; Kim, Young-Min; Mun, Hyeona; Kim, Jisoo; Park, Jucheol; Borisevich, Albina Y; Lee, Kyu Hyoung; Kim, Sung Wng

2017-09-01

Structural defects often dominate the electronic- and thermal-transport properties of thermoelectric (TE) materials and are thus a central ingredient for improving their performance. However, understanding the relationship between TE performance and the disordered atomic defects that are generally inherent in nanostructured alloys remains a challenge. Herein, the use of scanning transmission electron microscopy to visualize atomic defects directly is described and disordered atomic-scale defects are demonstrated to be responsible for the enhancement of TE performance in nanostructured Ti 1- x Hf x NiSn 1- y Sb y half-Heusler alloys. The disordered defects at all atomic sites induce a local composition fluctuation, effectively scattering phonons and improving the power factor. It is observed that the Ni interstitial and Ti,Hf/Sn antisite defects are collectively formed, leading to significant atomic disorder that causes the additional reduction of lattice thermal conductivity. The Ti 1- x Hf x NiSn 1- y Sb y alloys containing inherent atomic-scale defect disorders are produced in one hour by a newly developed process of temperature-regulated rapid solidification followed by sintering. The collective atomic-scale defect disorder improves the zT to 1.09 ± 0.12 at 800 K for the Ti 0.5 Hf 0.5 NiSn 0.98 Sb 0.02 alloy. These results provide a promising avenue for improving the TE performance of state-of-the-art materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mn-silicide nanostructures aligned on massively parallel silicon nano-ribbons

NASA Astrophysics Data System (ADS)

De Padova, Paola; Ottaviani, Carlo; Ronci, Fabio; Colonna, Stefano; Olivieri, Bruno; Quaresima, Claudio; Cricenti, Antonio; Dávila, Maria E.; Hennies, Franz; Pietzsch, Annette; Shariati, Nina; Le Lay, Guy

2013-01-01

The growth of Mn nanostructures on a 1D grating of silicon nano-ribbons is investigated at atomic scale by means of scanning tunneling microscopy, low energy electron diffraction and core level photoelectron spectroscopy. The grating of silicon nano-ribbons represents an atomic scale template that can be used in a surface-driven route to control the combination of Si with Mn in the development of novel materials for spintronics devices. The Mn atoms show a preferential adsorption site on silicon atoms, forming one-dimensional nanostructures. They are parallel oriented with respect to the surface Si array, which probably predetermines the diffusion pathways of the Mn atoms during the process of nanostructure formation.

Mn-silicide nanostructures aligned on massively parallel silicon nano-ribbons.

PubMed

De Padova, Paola; Ottaviani, Carlo; Ronci, Fabio; Colonna, Stefano; Olivieri, Bruno; Quaresima, Claudio; Cricenti, Antonio; Dávila, Maria E; Hennies, Franz; Pietzsch, Annette; Shariati, Nina; Le Lay, Guy

2013-01-09

The growth of Mn nanostructures on a 1D grating of silicon nano-ribbons is investigated at atomic scale by means of scanning tunneling microscopy, low energy electron diffraction and core level photoelectron spectroscopy. The grating of silicon nano-ribbons represents an atomic scale template that can be used in a surface-driven route to control the combination of Si with Mn in the development of novel materials for spintronics devices. The Mn atoms show a preferential adsorption site on silicon atoms, forming one-dimensional nanostructures. They are parallel oriented with respect to the surface Si array, which probably predetermines the diffusion pathways of the Mn atoms during the process of nanostructure formation.

Specific Adaptation of Gas Atomization Processing for Al-Based Alloy Powder for Additive Manufacturing

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

Anderson, Iver; Siemon, John

The initial three atomization attempts resulted in “freeze-outs” within the pour tubes in the pilot-scale system and yielded no powder. Re-evaluation of the alloy liquidus temperatures and melting characteristics, in collaboration with Alcoa, showed further superheat to be necessary to allow the liquid metal to flow through the pour tube to the atomization nozzle. A subsequent smaller run on the experimental atomization system verified these parameters and was successful, as were all successive runs on the larger pilot scale system. One alloy composition froze-out part way through the atomization on both pilot scale runs. SEM images showed needle formation andmore » phase segregations within the microstructure. Analysis of the pour tube freeze-out microstructures showed that large needles formed within the pour tube during the atomization experiment, which eventually blocked the melt stream. Alcoa verified the needle formation in this alloy using theoretical modeling of phase solidification. Sufficient powder of this composition was still generated to allow powder characterization and additive manufacturing trials at Alcoa.« less

The drainage of the Baltic Ice Lake and a new Scandinavian reference 10Be production rate

NASA Astrophysics Data System (ADS)

Stroeven, Arjen P.; Heyman, Jakob; Fabel, Derek; Björck, Svante; Caffee, Marc W.; Fredin, Ola; Harbor, Jonathan M.

2015-04-01

An important constraint on the reliability of cosmogenic nuclide exposure dating is the derivation of tightly controlled production rates. We present a new dataset for 10Be production rate calibration from Mount Billingen, southern Sweden, the site of the final drainage of the Baltic Ice Lake, an event dated to 11,620 ± 100 cal yr BP. Nine samples of flood-scoured bedrock surfaces and depositional boulders and cobbles unambiguously connected to the drainage event yield a reference 10Be production rate of 4.09 ± 0.22 atoms g-1 yr-1 for the CRONUS Lm scaling and 3.93 ± 0.21 atoms g-1 yr-1 for the LSD general spallation scaling. We also recalibrate the reference 10Be production rates for four sites in Norway and combine these with the Billingen results to derive a tightly clustered Scandinavian reference 10Be production rate of 4.12 ± 0.10 (4.12 ± 0.25 for altitude scaling) atoms g-1 yr-1 for the Lm scaling scheme and 3.96 ± 0.10 (3.96 ± 0.24 for altitude scaling) atoms g-1 yr-1 for the LSD scaling scheme.

Atomic-scale friction modulated by potential corrugation in multi-layered graphene materials

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

Zhuang, Chunqiang, E-mail: chunqiang.zhuang@bjut.edu.cn; Liu, Lei

2015-03-21

Friction is an important issue that has to be carefully treated for the fabrication of graphene-based nano-scale devices. So far, the friction mechanism of graphene materials on the atomic scale has not yet been clearly presented. Here, first-principles calculations were employed to unveil the friction behaviors and their atomic-scale mechanism. We found that potential corrugations on sliding surfaces dominate the friction force and the friction anisotropy of graphene materials. Higher friction forces correspond to larger corrugations of potential energy, which are tuned by the number of graphene layers. The friction anisotropy is determined by the regular distributions of potential energy.more » The sliding along a fold-line path (hollow-atop-hollow) has a relatively small potential energy barrier. Thus, the linear sliding observed in macroscopic friction experiments may probably be attributed to the fold-line sliding mode on the atomic scale. These findings can also be extended to other layer-structure materials, such as molybdenum disulfide (MoS{sub 2}) and graphene-like BN sheets.« less

Probing the effect of electron channelling on atomic resolution energy dispersive X-ray quantification.

PubMed

MacArthur, Katherine E; Brown, Hamish G; Findlay, Scott D; Allen, Leslie J

2017-11-01

Advances in microscope stability, aberration correction and detector design now make it readily possible to achieve atomic resolution energy dispersive X-ray mapping for dose resilient samples. These maps show impressive atomic-scale qualitative detail as to where the elements reside within a given sample. Unfortunately, while electron channelling is exploited to provide atomic resolution data, this very process makes the images rather more complex to interpret quantitatively than if no electron channelling occurred. Here we propose small sample tilt as a means for suppressing channelling and improving quantification of composition, whilst maintaining atomic-scale resolution. Only by knowing composition and thickness of the sample is it possible to determine the atomic configuration within each column. The effects of neighbouring atomic columns with differing composition and of residual channelling on our ability to extract exact column-by-column composition are also discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of annealing conditions on the microstructure and magnetic properties of sintered Nd-Fe-B magnets as seen by magnetic small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Périgo, Élio A.; Titov, Ivan; Weber, Raoul; Mettus, Denis; Peral, Inma; Vallcorba, Oriol; Honecker, Dirk; Feoktystov, Artem; Michels, Andreas

2018-03-01

We have investigated the effect of the annealing conditions (heating rate and temperature) on the magnetic microstructure of sintered Nd-Fe-B magnets by means of magnetometry, scanning electron microscopy, high-energy synchrotron x-ray diffraction, and small-angle neutron scattering (SANS). While the temperature treatment has a strong effect on the coercivity (reduction by about 50% on annealing), the associated changes in the microstructure do surprisingly not show up (or at best only very weakly) in the neutron-scattering signal, which probes a mesoscopic real-space length scale ranging between about 1–300 nm. On the other hand, the x-ray data reveal microstructural changes in the Nd-rich phases, presumably due to modifications in grain-boundary regions. Moreover, we observe an unusual diamond-shaped angular anisotropy in the SANS cross section, which strongly points towards the existence of texture in the nuclear microstructure.

Thermally induced magnetic relaxation in square artificial spin ice.

PubMed

Andersson, M S; Pappas, S D; Stopfel, H; Östman, E; Stein, A; Nordblad, P; Mathieu, R; Hjörvarsson, B; Kapaklis, V

2016-11-24

The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system - square artificial spin ice - we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Using time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.

Thermally induced magnetic relaxation in square artificial spin ice

NASA Astrophysics Data System (ADS)

Andersson, M. S.; Pappas, S. D.; Stopfel, H.; Östman, E.; Stein, A.; Nordblad, P.; Mathieu, R.; Hjörvarsson, B.; Kapaklis, V.

2016-11-01

The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system - square artificial spin ice - we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Using time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.

Relationship between Magnetic Anisotropy below Pseudogap Temperature and Short-Range Antiferromagnetic Order in High-Temperature Cuprate Superconductor

NASA Astrophysics Data System (ADS)

Morinari, Takao

2018-06-01

The central issue in high-temperature cuprate superconductors is the pseudogap state appearing below the pseudogap temperature T*, which is well above the superconducting transition temperature. In this study, we theoretically investigate the rapid increase of the magnetic anisotropy below the pseudogap temperature detected by the recent torque-magnetometry measurements on YBa2Cu3Oy [Y. Sato et al., Nat. Phys. 13, 1074 (2017)]. Applying the spin Green's function formalism including the Dzyaloshinskii-Moriya interaction arising from the buckling of the CuO2 plane, we obtain results that are in good agreement with the experiment and find a scaling relationship. Our analysis suggests that the characteristic temperature associated with the magnetic anisotropy, which coincides with T*, is not a phase transition temperature but a crossover temperature associated with the short-range antiferromagnetic order.

Thermodynamic evidence for a nematic phase transition at the onset of the pseudogap in YBa2Cu3Oy

NASA Astrophysics Data System (ADS)

Sato, Y.; Kasahara, S.; Murayama, H.; Kasahara, Y.; Moon, E.-G.; Nishizaki, T.; Loew, T.; Porras, J.; Keimer, B.; Shibauchi, T.; Matsuda, Y.

2017-11-01

A long-standing controversial issue in the quest to understand the superconductivity in cuprates is the nature of the enigmatic pseudogap region of the phase diagram. Especially important is whether the pseudogap state is a distinct thermodynamic phase characterized by broken symmetries below the onset temperature T*. Here we report torque-magnetometry measurements of anisotropic susceptibility within the ab planes in orthorhombic YBa2Cu3Oy with exceptionally high precision. The in-plane anisotropy displays a significant increase with a distinct kink at the pseudogap onset temperature T*, showing a remarkable scaling behaviour with respect to T/T* in a wide doping range. Our systematic analysis reveals that the rotational symmetry breaking sets in at T* in the limit where the effect of orthorhombicity is eliminated. These results provide thermodynamic evidence that the pseudogap onset is associated with a second-order nematic phase transition, which differs from the recently reported charge-density-wave transition that accompanies translational symmetry breaking.

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.

Atomic structure of water/Au, Ag, Cu and Pt atomic junctions.

PubMed

Li, Yu; Kaneko, Satoshi; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

2017-02-08

Much progress has been made in understanding the transport properties of atomic-scale conductors. We prepared atomic-scale metal contacts of Cu, Ag, Au and Pt using a mechanically controllable break junction method at 10 K in a cryogenic vacuum. Water molecules were exposed to the metal atomic contacts and the effect of molecular adsorption was investigated by electronic conductance measurements. Statistical analysis of the electronic conductance showed that the water molecule(s) interacted with the surface of the inert Au contact and the reactive Cu ant Pt contacts, where molecular adsorption decreased the electronic conductance. A clear conductance signature of water adsorption was not apparent at the Ag contact. Detailed analysis of the conductance behaviour during a contact-stretching process indicated that metal atomic wires were formed for the Au and Pt contacts. The formation of an Au atomic wire consisting of low coordination number atoms leads to increased reactivity of the inert Au surface towards the adsorption of water.

Atomic Scale Study on Growth and Heteroepitaxy of ZnO Monolayer on Graphene.

PubMed

Hong, Hyo-Ki; Jo, Junhyeon; Hwang, Daeyeon; Lee, Jongyeong; Kim, Na Yeon; Son, Seungwoo; Kim, Jung Hwa; Jin, Mi-Jin; Jun, Young Chul; Erni, Rolf; Kwak, Sang Kyu; Yoo, Jung-Woo; Lee, Zonghoon

2017-01-11

Atomically thin semiconducting oxide on graphene carries a unique combination of wide band gap, high charge carrier mobility, and optical transparency, which can be widely applied for optoelectronics. However, study on the epitaxial formation and properties of oxide monolayer on graphene remains unexplored due to hydrophobic graphene surface and limits of conventional bulk deposition technique. Here, we report atomic scale study of heteroepitaxial growth and relationship of a single-atom-thick ZnO layer on graphene using atomic layer deposition. We demonstrate atom-by-atom growth of zinc and oxygen at the preferential zigzag edge of a ZnO monolayer on graphene through in situ observation. We experimentally determine that the thinnest ZnO monolayer has a wide band gap (up to 4.0 eV), due to quantum confinement and graphene-like structure, and high optical transparency. This study can lead to a new class of atomically thin two-dimensional heterostructures of semiconducting oxides formed by highly controlled epitaxial growth.

Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer

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

Schulz, Roland; Lindner, Benjamin; Petridis, Loukas

2009-01-01

A strategy is described for a fast all-atom molecular dynamics simulation of multimillion-atom biological systems on massively parallel supercomputers. The strategy is developed using benchmark systems of particular interest to bioenergy research, comprising models of cellulose and lignocellulosic biomass in an aqueous solution. The approach involves using the reaction field (RF) method for the computation of long-range electrostatic interactions, which permits efficient scaling on many thousands of cores. Although the range of applicability of the RF method for biomolecular systems remains to be demonstrated, for the benchmark systems the use of the RF produces molecular dipole moments, Kirkwood G factors,more » other structural properties, and mean-square fluctuations in excellent agreement with those obtained with the commonly used Particle Mesh Ewald method. With RF, three million- and five million atom biological systems scale well up to 30k cores, producing 30 ns/day. Atomistic simulations of very large systems for time scales approaching the microsecond would, therefore, appear now to be within reach.« less

Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer.

PubMed

Schulz, Roland; Lindner, Benjamin; Petridis, Loukas; Smith, Jeremy C

2009-10-13

A strategy is described for a fast all-atom molecular dynamics simulation of multimillion-atom biological systems on massively parallel supercomputers. The strategy is developed using benchmark systems of particular interest to bioenergy research, comprising models of cellulose and lignocellulosic biomass in an aqueous solution. The approach involves using the reaction field (RF) method for the computation of long-range electrostatic interactions, which permits efficient scaling on many thousands of cores. Although the range of applicability of the RF method for biomolecular systems remains to be demonstrated, for the benchmark systems the use of the RF produces molecular dipole moments, Kirkwood G factors, other structural properties, and mean-square fluctuations in excellent agreement with those obtained with the commonly used Particle Mesh Ewald method. With RF, three million- and five million-atom biological systems scale well up to ∼30k cores, producing ∼30 ns/day. Atomistic simulations of very large systems for time scales approaching the microsecond would, therefore, appear now to be within reach.

Proceedings of an ESA-NASA Workshop on a Joint Solid Earth Program

NASA Technical Reports Server (NTRS)

Guyenne, T. Duc (Editor); Hunt, James J. (Editor)

1987-01-01

The NASA geodynamics program; spaceborne magnetometry; spaceborne gravity gradiometry (characterizing the data type); terrestrial gravity data and comparisons with satellite data; GRADIO three-axis electrostatic accelerometers; gradiometer accommodation on board a drag-free satellite; gradiometer mission spectral analysis and simulation studies; and an opto-electronic accelerometer system were discussed.

Electromagnetically-induced-transparency intensity-correlation power broadening in a buffer gas

NASA Astrophysics Data System (ADS)

Zheng, Aojie; Green, Alaina; Crescimanno, Michael; O'Leary, Shannon

2016-04-01

Electromagnetically-induced-transparency (EIT) noise correlation spectroscopy holds promise as a simple, robust method for performing high-resolution spectroscopy used in optical magnetometry and clocks. Of relevance to these applications, we report on the role of buffer gas pressure and magnetic field gradients on power broadening of Zeeman-EIT noise correlation resonances.

Magnetic field response of doubly clamped magnetoelectric microelectromechanical AlN-FeCo resonators

NASA Astrophysics Data System (ADS)

Bennett, S. P.; Baldwin, J. W.; Staruch, M.; Matis, B. R.; LaComb, J.; van't Erve, O. M. J.; Bussmann, K.; Metzler, M.; Gottron, N.; Zappone, W.; LaComb, R.; Finkel, P.

2017-12-01

Magnetoelectric (ME) cantilever resonators have been successfully employed as magnetic sensors to measure low magnetic fields; however, high relative resolution enabling magnetometry in high magnetic fields is lacking. Here, we present on-chip silicon based ME microelectromechanical (MEMS) doubly clamped resonators which can be utilized as high sensitivity, low power magnetic sensors. The resonator is a fully suspended thin film ME heterostructure composed of an active magnetoelastic layer (Fe0.3Co0.7), which is strain coupled to a piezoelectric signal/excitation layer (AlN). By controlling uniaxial stress arising from the large magnetoelastic properties of magnetostrictive FeCo, a magnetically driven shift of the resonance frequency of the first fundamental flexural mode is observed. The theoretical intrinsic magnetic noise floor of such sensors reaches a minimum value of 35 p T /√{H z }. This approach shows a magnetic field sensitivity of ˜5 Hz/mT in a bias magnetic field of up to 120 mT. Such sensors have the potential in applications required for enhanced dynamic sensitivity in high-field magnetometry.

A novel approach to quantify different iron forms in ex-vivo human brain tissue

NASA Astrophysics Data System (ADS)

Kumar, Pravin; Bulk, Marjolein; Webb, Andrew; van der Weerd, Louise; Oosterkamp, Tjerk H.; Huber, Martina; Bossoni, Lucia

2016-12-01

We propose a novel combination of methods to study the physical properties of ferric ions and iron-oxide nanoparticles in post-mortem human brain, based on the combination of Electron Paramagnetic Resonance (EPR) and SQUID magnetometry. By means of EPR, we derive the concentration of the low molecular weight iron pool, as well as the product of its electron spin relaxation times. Additionally, by SQUID magnetometry we identify iron mineralization products ascribable to a magnetite/maghemite phase and a ferrihydrite (ferritin) phase. We further derive the concentration of magnetite/maghemite and of ferritin nanoparticles. To test out the new combined methodology, we studied brain tissue of an Alzheimer’s patient and a healthy control. Finally, we estimate that the size of the magnetite/maghemite nanoparticles, whose magnetic moments are blocked at room temperature, exceeds 40-50 nm, which is not compatible with the ferritin protein, the core of which is typically 6-8 nm. We believe that this methodology could be beneficial in the study of neurodegenerative diseases such as Alzheimer’s Disease which are characterized by abnormal iron accumulation in the brain.

Paleomagnetic Analysis Using SQUID Microscopy

NASA Technical Reports Server (NTRS)

Weiss, Benjamin P.; Lima, Eduardo A.; Fong, Luis E.; Baudenbacher, Franz J.

2007-01-01

Superconducting quantum interference device (SQUID) microscopes are a new generation of instruments that map magnetic fields with unprecedented spatial resolution and moment sensitivity. Unlike standard rock magnetometers, SQUID microscopes map magnetic fields rather than measuring magnetic moments such that the sample magnetization pattern must be retrieved from source model fits to the measured field data. In this paper, we presented the first direct comparison between paleomagnetic analyses on natural samples using joint measurements from SQUID microscopy and moment magnetometry. We demonstrated that in combination with apriori geologic and petrographic data, SQUID microscopy can accurately characterize the magnetization of lunar glass spherules and Hawaiian basalt. The bulk moment magnitude and direction of these samples inferred from inversions of SQUID microscopy data match direct measurements on the same samples using moment magnetometry. In addition, these inversions provide unique constraints on the magnetization distribution within the sample. These measurements are among the most sensitive and highest resolution quantitative paleomagnetic studies of natural remanent magnetization to date. We expect that this technique will be able to extend many other standard paleomagnetic techniques to previously inaccessible microscale samples.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

NASA Astrophysics Data System (ADS)

Song, Chenchen; Martínez, Todd J.

2016-05-01

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N2.6 for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.

PubMed

Song, Chenchen; Martínez, Todd J

2016-05-07

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N(2.6) for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

Molecular dynamics modeling of bonding two materials by atomic scale friction stir welding

NASA Astrophysics Data System (ADS)

Konovalenko S., Iv.; Konovalenko, Ig. S.; Psakhie, S. G.

2017-12-01

Molecular dynamics model of atomic scale friction stir welding has been developed. Formation of a butt joint between two crystallites was modeled by means of rotating rigid conical tool traveling along the butt joint line. The formed joint had an intermixed atomic structure composed of atoms initially belonged to the opposite mated piece of metal. Heat removal was modeled by adding the extra viscous force to peripheral atomic layers. This technique provides the temperature control in the tool-affected zone during welding. Auxiliary vibration action was added to the rotating tool. The model provides the variation of the tool's angular velocity, amplitude, frequency and direction of the auxiliary vibration action to provide modeling different welding modes.

Yong-Ki Kim — His Life and Recent Work

NASA Astrophysics Data System (ADS)

Stone, Philip M.

2007-08-01

Dr. Kim made internationally recognized contributions in many areas of atomic physics research and applications, and was still very active when he was killed in an automobile accident. He joined NIST in 1983 after 17 years at the Argonne National Laboratory following his Ph.D. work at the University of Chicago. Much of his early work at Argonne and especially at NIST was the elucidation and detailed analysis of the structure of highly charged ions. He developed a sophisticated, fully relativistic atomic structure theory that accurately predicts atomic energy levels, transition wavelengths, lifetimes, and transition probabilities for a large number of ions. This information has been vital to model the properties of the hot interior of fusion research plasmas, where atomic ions must be described with relativistic atomic structure calculations. In recent years, Dr. Kim worked on the precise calculation of ionization and excitation cross sections of numerous atoms, ions, and molecules that are important in fusion research and in plasma processing for manufacturing semiconductor chips. Dr. Kim greatly advanced the state-of-the-art of calculations for these cross sections through development and implementation of highly innovative methods, including his Binary-Encounter-Bethe (BEB) theory and a scaled plane wave Born (scaled PWB) theory. His methods, using closed quantum mechanical formulas and no adjustable parameters, avoid tedious large-scale computations with main-frame computers. His calculations closely reproduce the results of benchmark experiments as well as large-scale calculations requiring hours of computer time. This recent work on BEB and scaled PWB is reviewed and examples of its capabilities are shown.

A Filtering Method to Reveal Crystalline Patterns from Atom Probe Microscopy Desorption Maps

DTIC Science & Technology

2016-03-26

Gault, S.P. Ringer, J.M. Cairney, Atom probe crystallography : characterization of grain boundary orientation relationships in nanocrystalline...J.M. Cairney, Atom probe crystallography : atomic- scale 3-D orientation mapping, Scr. Mater. 66 (11) (2012) 907. L. Yao /MethodsX 3 (2016) 268–273 273

Equation-of-State Scaling Factors

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

Scannapieco, Anthony J.

2016-06-28

Equation-of-State scaling factors are needed when using a tabular EOS in which the user de ned material isotopic fractions di er from the actual isotopic fractions used by the table. Additionally, if a material is dynamically changing its isotopic structure, then an EOS scaling will again be needed, and will vary in time and location. The procedure that allows use of a table to obtain information about a similar material with average atomic mass Ms and average atomic number Zs is described below. The procedure is exact for a fully ionized ideal gas. However, if the atomic number is replacemore » by the e ective ionization state the procedure can be applied to partially ionized material as well, which extends the applicability of the scaling approximation continuously from low to high temperatures.« less

Four-dimensional ultrafast electron microscopy of phase transitions

PubMed Central

Grinolds, Michael S.; Lobastov, Vladimir A.; Weissenrieder, Jonas; Zewail, Ahmed H.

2006-01-01

Reported here is direct imaging (and diffraction) by using 4D ultrafast electron microscopy (UEM) with combined spatial and temporal resolutions. In the first phase of UEM, it was possible to obtain snapshot images by using timed, single-electron packets; each packet is free of space–charge effects. Here, we demonstrate the ability to obtain sequences of snapshots (“movies”) with atomic-scale spatial resolution and ultrashort temporal resolution. Specifically, it is shown that ultrafast metal–insulator phase transitions can be studied with these achieved spatial and temporal resolutions. The diffraction (atomic scale) and images (nanometer scale) we obtained manifest the structural phase transition with its characteristic hysteresis, and the time scale involved (100 fs) is now studied by directly monitoring coordinates of the atoms themselves. PMID:17130445

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

Atomic scale structure and chemistry of interfaces by Z-contrast imaging and electron energy loss spectroscopy in the stem

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

McGibbon, M.M.; Browning, N.D.; Chisholm, M.F.

The macroscopic properties of many materials are controlled by the structure and chemistry at grain boundaries. A basic understanding of the structure-property relationship requires a technique which probes both composition and chemical bonding on an atomic scale. High-resolution Z-contrast imaging in the scanning transmission electron microscope (STEM) forms an incoherent image in which changes in atomic structure and composition across an interface can be interpreted directly without the need for preconceived atomic structure models. Since the Z-contrast image is formed by electrons scattered through high angles, parallel detection electron energy loss spectroscopy (PEELS) can be used simultaneously to provide complementarymore » chemical information on an atomic scale. The fine structure in the PEEL spectra can be used to investigate the local electronic structure and the nature of the bonding across the interface. In this paper we use the complimentary techniques of high resolution Z-contrast imaging and PEELS to investigate the atomic structure and chemistry of a 25{degree} symmetric tilt boundary in a bicrystal of the electroceramic SrTiO{sub 3}.« less

Atom Probe Tomographic Mapping Directly Reveals the Atomic Distribution of Phosphorus in Resin Embedded Ferritin

NASA Astrophysics Data System (ADS)

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah; Dicken, Quinten; Thevuthasan, S. Theva; Browning, Nigel D.; Evans, James E.

2016-02-01

Here we report the atomic-scale analysis of biological interfaces within the ferritin protein using atom probe tomography that is facilitated by an advanced specimen preparation approach. Embedding ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualise atomic distributions and distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell, as well as the organic-organic interface between the ferritin protein shell and embedding resin. In addition, we definitively show the atomic-scale distribution of phosphorus as being at the surface of the ferrihydrite mineral with the distribution of sodium mapped within the protein shell environment with an enhanced distribution at the mineral/protein interface. The sample preparation method is robust and can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment.

Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies

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

Fang, Yin; Jiang, Yuanwen; Cherukara, Mathew J.

Large-scale assembly of individual atoms over smooth surfaces is difficult to achieve. A configuration of an atom reservoir, in which individual atoms can be readily extracted, may successfully address this challenge. In this work, we demonstrate that a liquid gold-silicon alloy established in classical vapor-liquid-solid growth can deposit ordered and three-dimensional rings of isolated gold atoms over silicon nanowire sidewalls. Here, we perform ab initio molecular dynamics simulation and unveil a surprising single atomic gold-catalyzed chemical etching of silicon. Experimental verification of this catalytic process in silicon nanowires yields dopant-dependent, massive and ordered 3D grooves with spacing down to similarmore » to 5 nm. Finally, we use these grooves as self-labeled and ex situ markers to resolve several complex silicon growths, including the formation of nodes, kinks, scale-like interfaces, and curved backbones.« less

Atom Probe Tomographic Mapping Directly Reveals the Atomic Distribution of Phosphorus in Resin Embedded Ferritin

PubMed Central

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah; Dicken, Quinten; Thevuthasan, S. Theva; Browning, Nigel D.; Evans, James E.

2016-01-01

Here we report the atomic-scale analysis of biological interfaces within the ferritin protein using atom probe tomography that is facilitated by an advanced specimen preparation approach. Embedding ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualise atomic distributions and distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell, as well as the organic-organic interface between the ferritin protein shell and embedding resin. In addition, we definitively show the atomic-scale distribution of phosphorus as being at the surface of the ferrihydrite mineral with the distribution of sodium mapped within the protein shell environment with an enhanced distribution at the mineral/protein interface. The sample preparation method is robust and can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment. PMID:26924804

Two-probe STM experiments at the atomic level.

PubMed

Kolmer, Marek; Olszowski, Piotr; Zuzak, Rafal; Godlewski, Szymon; Joachim, Christian; Szymonski, Marek

2017-11-08

Direct characterization of planar atomic or molecular scale devices and circuits on a supporting surface by multi-probe measurements requires unprecedented stability of single atom contacts and manipulation of scanning probes over large, nanometer scale area with atomic precision. In this work, we describe the full methodology behind atomically defined two-probe scanning tunneling microscopy (STM) experiments performed on a model system: dangling bond dimer wire supported on a hydrogenated germanium (0 0 1) surface. We show that 70 nm long atomic wire can be simultaneously approached by two independent STM scanners with exact probe to probe distance reaching down to 30 nm. This allows direct wire characterization by two-probe I-V characteristics at distances below 50 nm. Our technical results presented in this work open a new area for multi-probe research, which can be now performed with precision so far accessible only by single-probe scanning probe microscopy (SPM) experiments.

Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies

DOE PAGES

Fang, Yin; Jiang, Yuanwen; Cherukara, Mathew J.; ...

2017-12-08

Large-scale assembly of individual atoms over smooth surfaces is difficult to achieve. A configuration of an atom reservoir, in which individual atoms can be readily extracted, may successfully address this challenge. In this work, we demonstrate that a liquid gold-silicon alloy established in classical vapor-liquid-solid growth can deposit ordered and three-dimensional rings of isolated gold atoms over silicon nanowire sidewalls. Here, we perform ab initio molecular dynamics simulation and unveil a surprising single atomic gold-catalyzed chemical etching of silicon. Experimental verification of this catalytic process in silicon nanowires yields dopant-dependent, massive and ordered 3D grooves with spacing down to similarmore » to 5 nm. Finally, we use these grooves as self-labeled and ex situ markers to resolve several complex silicon growths, including the formation of nodes, kinks, scale-like interfaces, and curved backbones.« less

An atomic finite element model for biodegradable polymers. Part 1. Formulation of the finite elements.

PubMed

Gleadall, Andrew; Pan, Jingzhe; Ding, Lifeng; Kruft, Marc-Anton; Curcó, David

2015-11-01

Molecular dynamics (MD) simulations are widely used to analyse materials at the atomic scale. However, MD has high computational demands, which may inhibit its use for simulations of structures involving large numbers of atoms such as amorphous polymer structures. An atomic-scale finite element method (AFEM) is presented in this study with significantly lower computational demands than MD. Due to the reduced computational demands, AFEM is suitable for the analysis of Young's modulus of amorphous polymer structures. This is of particular interest when studying the degradation of bioresorbable polymers, which is the topic of an accompanying paper. AFEM is derived from the inter-atomic potential energy functions of an MD force field. The nonlinear MD functions were adapted to enable static linear analysis. Finite element formulations were derived to represent interatomic potential energy functions between two, three and four atoms. Validation of the AFEM was conducted through its application to atomic structures for crystalline and amorphous poly(lactide). Copyright © 2015 Elsevier Ltd. All rights reserved.

Layer-by-layer assembly of two-dimensional materials into wafer-scale heterostructures

NASA Astrophysics Data System (ADS)

Kang, Kibum; Lee, Kan-Heng; Han, Yimo; Gao, Hui; Xie, Saien; Muller, David A.; Park, Jiwoong

2017-10-01

High-performance semiconductor films with vertical compositions that are designed to atomic-scale precision provide the foundation for modern integrated circuitry and novel materials discovery. One approach to realizing such films is sequential layer-by-layer assembly, whereby atomically thin two-dimensional building blocks are vertically stacked, and held together by van der Waals interactions. With this approach, graphene and transition-metal dichalcogenides--which represent one- and three-atom-thick two-dimensional building blocks, respectively--have been used to realize previously inaccessible heterostructures with interesting physical properties. However, no large-scale assembly method exists at present that maintains the intrinsic properties of these two-dimensional building blocks while producing pristine interlayer interfaces, thus limiting the layer-by-layer assembly method to small-scale proof-of-concept demonstrations. Here we report the generation of wafer-scale semiconductor films with a very high level of spatial uniformity and pristine interfaces. The vertical composition and properties of these films are designed at the atomic scale using layer-by-layer assembly of two-dimensional building blocks under vacuum. We fabricate several large-scale, high-quality heterostructure films and devices, including superlattice films with vertical compositions designed layer-by-layer, batch-fabricated tunnel device arrays with resistances that can be tuned over four orders of magnitude, band-engineered heterostructure tunnel diodes, and millimetre-scale ultrathin membranes and windows. The stacked films are detachable, suspendable and compatible with water or plastic surfaces, which will enable their integration with advanced optical and mechanical systems.

Layer-by-layer assembly of two-dimensional materials into wafer-scale heterostructures.

PubMed

Kang, Kibum; Lee, Kan-Heng; Han, Yimo; Gao, Hui; Xie, Saien; Muller, David A; Park, Jiwoong

2017-10-12

High-performance semiconductor films with vertical compositions that are designed to atomic-scale precision provide the foundation for modern integrated circuitry and novel materials discovery. One approach to realizing such films is sequential layer-by-layer assembly, whereby atomically thin two-dimensional building blocks are vertically stacked, and held together by van der Waals interactions. With this approach, graphene and transition-metal dichalcogenides-which represent one- and three-atom-thick two-dimensional building blocks, respectively-have been used to realize previously inaccessible heterostructures with interesting physical properties. However, no large-scale assembly method exists at present that maintains the intrinsic properties of these two-dimensional building blocks while producing pristine interlayer interfaces, thus limiting the layer-by-layer assembly method to small-scale proof-of-concept demonstrations. Here we report the generation of wafer-scale semiconductor films with a very high level of spatial uniformity and pristine interfaces. The vertical composition and properties of these films are designed at the atomic scale using layer-by-layer assembly of two-dimensional building blocks under vacuum. We fabricate several large-scale, high-quality heterostructure films and devices, including superlattice films with vertical compositions designed layer-by-layer, batch-fabricated tunnel device arrays with resistances that can be tuned over four orders of magnitude, band-engineered heterostructure tunnel diodes, and millimetre-scale ultrathin membranes and windows. The stacked films are detachable, suspendable and compatible with water or plastic surfaces, which will enable their integration with advanced optical and mechanical systems.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

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

Song, Chenchen; Martínez, Todd J.; SLAC National Accelerator Laboratory, Menlo Park, California 94025

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N{sup 2.6} for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 aremore » less than 0.5 kcal/mol for all systems tested (up to 162 atoms).« less

Growth, Structural, Electronic, and Magnetic Characterization of GaN, CrN, Fe Islands on CrN, and Fe/CrN Bilayer Thin Films

NASA Astrophysics Data System (ADS)

Alam, Khan

As a part of my Ph.D research, initially I was involved in construction and calibration of an ultra-high vacuum thin film facility, and later on I studied structural, electronic, and magnetic properties of GaN, CrN, Fe/CrN bilayers, and Fe islands on CrN thin films. All of these films were grown by molecular beam epitaxy and characterized with a variety of state-of-the-art techniques including variable temperature reflection high energy electron diffraction, low temperature scanning tunneling microscopy and spectroscopy, variable temperature vibrating sample magnetometry, variable temperature neutron diffraction and reflectometry, variable temperature x-ray diffraction, x-ray reflectometry, Rutherford backscattering, Auger electron spectroscopy, and cross-sectional tunneling electron microscopy. The experimental results are furthermore understood by comparing with numerical calculations using generalized gradient approximation, local density approximation with Hubbard correction, Refl1D, and data analysis and visual environment program. In my first research project, I studied Ga gas adatoms on GaN surfaces. We discovered frozen-out gallium gas adatoms on atomically smooth c(6x12) GaN(0001¯) surface using low temperature scanning tunneling microscopy. We identified adsorption sites of the Ga adatoms on c(6x12) reconstructed surface. Their bonding is determined by measuring low unoccupied molecular orbital level. Absorption sites of the Ga gas adatoms on centered 6x12 are identified, and their asymmetric absorption on the chiral domains is investigated. In second project, I investigated magneto-structural phase transition in chromium nitride (CrN) thin films. The CrN thin films are grown by molecular beam epitaxy. Structural and magnetic transition are studied using variable temperature reflection high energy electron diffraction and variable temperature neutron diffraction. We observed a structural phase transition at the surface at 277+/-2 K, and a sharp, first-order magnetic phase transition from paramagnetic (room temperature) to antiferromagnetic (low temperature) at 280+/-3 K. Our experiments suggest that the structural transition in CrN thin films occur in out-of-plane direction, and epitaxial constraints suppress the in-plane transition; therefore, the low temperature crystal structure of CrN is tetragonal. This new model explains our structural and magnetic data at low temperatures, but it is different than the previously published orthorhombic model. In third project, I studied exchange bias and exchange spring effect in MBE grown Fe/CrN bilayer thin films. We grew Fe/CrN bilayer thin films on MgO(001) substrate by molecular beam epitaxy, and studied them using variable temperature vibrating sample magnetometry, polarized neutron reflectometry, x-ray reflectivity, and cross-sectional transmission electron microscopy. We observed exchange bias and exchange spring effect in all bilayer thin films. We studied the relationship of exchange bias, blocking temperature, and coercivity with Fe and CrN layers thicknesses. We used polarized neutron beam reflectometry to see if spins at Fe/CrN interface are pinned. We found a thin ferromagnetically ordered CrN layer at the interface. In my final project, I studied growth of submonolayer Fe islands on CrN thin films. These films are prepared in two stages: first, a CrN layer is grown by MBE and then a submonolayer Fe is deposited at room temperature from a carefully degassed e-beam evaporator. The films are studied at liquid helium temperature using low temperature scanning tunneling microscopy and spectroscopy. Islands are seen in STM images, after the Fe deposition, at the edges as well as at the center of atomically flat CrN terraces. However, numerical calculations performed by our collaborator Ponce-P'erez from Benem'erita Universidad Aut'onoma de Puebla show that the Fe islands are energetically unstable on the surface. The Fe atoms substitute Cr atoms in the surface layer and the Cr atoms comes out and form islands. In order to find out elemental composition of the islands, we attempted to map local density of state by measuring differential conductance spectra as a function of bias voltage using LT-STS. We observed three characteristically different spectra; one in the CrN substrate and two in the islands. The CrN substrate curve has a "U" shape near Fermi level and a peak at ≈ 105 mV. The islands spectra show Kondo-like resonances at Fermi level; some islands produce a peak whereas others produce a dip the dI/dV curves near Fermi level. Further investigations are needed to determine the origin of the peak and dip in the island curves, as well as to find the composition of the islands.

Fabrication and Evaluation of Superconducting and Semiconducting Materials

DTIC Science & Technology

1993-09-01

Laboratory Material Physics Branch by conducting investigations into the properties of superconducting , magnetic , and other solid state materials. Studies...Physics Branch in conducting research into applied problems such as the design of magnetic shielding and superconducting quantum interference device...SQUID) magnetometry detection of magnetic anomalies. SFA provided research assistance in the areas of bulk ceramic sample preparation. conversion

Effects of neutron and electron irradiation on superconducting HgBa 2CuO 4+ δ single crystals

NASA Astrophysics Data System (ADS)

Zehetmayer, M.; Eisterer, M.; Kazakov, S. M.; Karpinski, J.; Wisniewski, A.; Puzniak, R.; Daignere, A.; Weber, H. W.

2004-08-01

We report on measurements of the magnetic moment in superconducting HgBa 2CuO 4+ δ single crystals by SQUID magnetometry. Neutron and electron irradiation are employed to modify the defect structure. Both types of radiation affect the irreversible properties, but characteristic qualitative differences occur, which will be discussed.

Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

NASA Astrophysics Data System (ADS)

Cancio, Antonio C.; Redd, Jeremy J.

2017-03-01

The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.

The Chip-Scale Atomic Clock - Prototype Evaluation

DTIC Science & Technology

2007-11-01

39th Annual Precise Time and Time Interval (PTTI) Meeting THE CHIP-SCALE ATOMIC CLOCK – PROTOTYPE EVALUATION R. Lutwak *, A. Rashed...been supported by the Defense Advanced Research Projects Agency, Contract # NBCHC020050. REFERENCES [1] R. Lutwak , D. Emmons, W. Riley, and...D.C.), pp. 539-550. [2] R. Lutwak , D. Emmons, T. English, W. Riley, A. Duwel, M. Varghese, D. K. Serkland, and G. M. Peake, 2004, “The Chip-Scale

RF-Interrogated End-State Chip-Scale Atomic Clock

DTIC Science & Technology

2007-11-01

coherent population trapping,” Electronics Letters 37, (24), 1449-1451. [2] R. Lutwak , P. Vlitas, M. Varghese, M. Mescher, D. K. Serkland, and G. M...367. [9] R. Lutwak , D. Emmons, T. English, W. Riley, A. Duwel, M. Varghese, D. K. Serland, and G. M. Peake, 2003, “Chip-Scale Atomic Clock, Recent

Atomic-scale phase composition through multivariate statistical analysis of atom probe tomography data.

PubMed

Keenan, Michael R; Smentkowski, Vincent S; Ulfig, Robert M; Oltman, Edward; Larson, David J; Kelly, Thomas F

2011-06-01

We demonstrate for the first time that multivariate statistical analysis techniques can be applied to atom probe tomography data to estimate the chemical composition of a sample at the full spatial resolution of the atom probe in three dimensions. Whereas the raw atom probe data provide the specific identity of an atom at a precise location, the multivariate results can be interpreted in terms of the probabilities that an atom representing a particular chemical phase is situated there. When aggregated to the size scale of a single atom (∼0.2 nm), atom probe spectral-image datasets are huge and extremely sparse. In fact, the average spectrum will have somewhat less than one total count per spectrum due to imperfect detection efficiency. These conditions, under which the variance in the data is completely dominated by counting noise, test the limits of multivariate analysis, and an extensive discussion of how to extract the chemical information is presented. Efficient numerical approaches to performing principal component analysis (PCA) on these datasets, which may number hundreds of millions of individual spectra, are put forward, and it is shown that PCA can be computed in a few seconds on a typical laptop computer.

An ignition key for atomic-scale engines

NASA Astrophysics Data System (ADS)

Dundas, Daniel; Cunningham, Brian; Buchanan, Claire; Terasawa, Asako; Paxton, Anthony T.; Todorov, Tchavdar N.

2012-10-01

A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational atomic motion with a large gain in kinetic energy. The activation exploits sharp features in the electronic structure, and constitutes, in effect, an ignition key for atomic-scale motors. A controlling factor for the effect is the non-equilibrium dynamical response matrix for small-amplitude atomic motion under current. This matrix can be found from the steady-state electronic structure by a simpler static calculation, providing a way to detect the likely appearance, or otherwise, of non-conservative dynamics, in advance of real-time modelling.

Directing Matter: Toward Atomic-Scale 3D Nanofabrication.

PubMed

Jesse, Stephen; Borisevich, Albina Y; Fowlkes, Jason D; Lupini, Andrew R; Rack, Philip D; Unocic, Raymond R; Sumpter, Bobby G; Kalinin, Sergei V; Belianinov, Alex; Ovchinnikova, Olga S

2016-06-28

Enabling memristive, neuromorphic, and quantum-based computing as well as efficient mainstream energy storage and conversion technologies requires the next generation of materials customized at the atomic scale. This requires full control of atomic arrangement and bonding in three dimensions. The last two decades witnessed substantial industrial, academic, and government research efforts directed toward this goal through various lithographies and scanning-probe-based methods. These technologies emphasize 2D surface structures, with some limited 3D capability. Recently, a range of focused electron- and ion-based methods have demonstrated compelling alternative pathways to achieving atomically precise manufacturing of 3D structures in solids, liquids, and at interfaces. Electron and ion microscopies offer a platform that can simultaneously observe dynamic and static structures at the nano- and atomic scales and also induce structural rearrangements and chemical transformation. The addition of predictive modeling or rapid image analytics and feedback enables guiding these in a controlled manner. Here, we review the recent results that used focused electron and ion beams to create free-standing nanoscale 3D structures, radiolysis, and the fabrication potential with liquid precursors, epitaxial crystallization of amorphous oxides with atomic layer precision, as well as visualization and control of individual dopant motion within a 3D crystal lattice. These works lay the foundation for approaches to directing nanoscale level architectures and offer a potential roadmap to full 3D atomic control in materials. In this paper, we lay out the gaps that currently constrain the processing range of these platforms, reflect on indirect requirements, such as the integration of large-scale data analysis with theory, and discuss future prospects of these technologies.

Directing Matter: Toward Atomic-Scale 3D Nanofabrication

DOE PAGES

Jesse, Stephen; Borisevich, Albina Y.; Fowlkes, Jason D.; ...

2016-05-16

Here we report that enabling memristive, neuromorphic, and quantum based computing as well as efficient mainstream energy storage and conversion technologies requires next generation of materials customized at the atomic scale. This requires full control of atomic arrangement and bonding in three dimensions. The last two decades witnessed substantial industrial, academic, and government research efforts directed towards this goal through various lithographies and scanning probe based methods. These technologies emphasize 2D surface structures, with some limited 3D capability. Recently, a range of focused electron and ion based methods have demonstrated compelling alternative pathways to achieving atomically precise manufacturing of 3Dmore » structures in solids, liquids, and at interfaces. Electron and ion microscopies offer a platform that can simultaneously observe dynamic and static structures at the nano and atomic scales, and also induce structural rearrangements and chemical transformation. The addition of predictive modeling or rapid image analytics and feedback enables guiding these in a controlled manner. Here, we review the recent results that used focused electron and ion beams to create free-standing nanoscale 3D structures, radiolysis and the fabrication potential with liquid precursors, epitaxial crystallization of amorphous oxides with atomic layer precision, as well as visualization and control of individual dopant motion within a 3D crystal lattice. These works lay the foundation for new approaches to directing nanoscale level architectures and offer a potential roadmap to full 3D atomic control in materials. Lastly, in this perspective we lay out the gaps that currently constrain the processing range of these platforms, reflect on indirect requirements, such as the integration of large scale data analysis with theory, and discuss future prospects of these technologies.« less

Interplay between Mechanics, Electronics, and Energetics in Atomic-Scale Junctions

NASA Astrophysics Data System (ADS)

Aradhya, Sriharsha V.

The physical properties of materials at the nanoscale are controlled to a large extent by their interfaces. While much knowledge has been acquired about the properties of material in the bulk, there are many new and interesting phenomena at the interfaces that remain to be better understood. This is especially true at the scale of their constituent building blocks - atoms and molecules. Studying materials at this intricate level is a necessity at this point in time because electronic devices are rapidly approaching the limits of what was once thought possible, both in terms of their miniaturization as well as our ability to design their behavior. In this thesis I present our explorations of the interplay between mechanical properties, electronic transport and binding energetics of single atomic contacts and single-molecule junctions. Experimentally, we use a customized conducting atomic force microscope (AFM) that simultaneously measures the current and force across atomic-scale junctions. We use this instrument to study single atomic contacts of gold and silver and single-molecule junctions formed in the gap between two gold metallic point contacts, with molecules with a variety of backbones and chemical linker groups. Combined with density functional theory based simulations and analytical modeling, these experiments provide insight into the correlations between mechanics and electronic structure at the atomic level. In carrying out these experimental studies, we repeatedly form and pull apart nanoscale junctions between a metallized AFM cantilever tip and a metal-coated substrate. The force and conductance of the contact are simultaneously measured as each junction evolves through a series of atomic-scale rearrangements and bond rupture events, frequently resulting in single atomic contacts before rupturing completely. The AFM is particularly optimized to achieve high force resolution with stiff probes that are necessary to create and measure forces across atomic-size junctions that are otherwise difficult to fabricate using conventional lithographic techniques. In addition to the instrumentation, we have developed new algorithmic routines to perform statistical analyses of force data, with varying degrees of reliance on the conductance signatures. The key results presented in this thesis include our measurements with gold metallic contacts, through which we are able to rigorously characterize the stiffness and maximum forces sustained by gold single atomic contacts and many different gold-molecule-gold single-molecule junctions. In our experiments with silver metallic contacts we use statistical correlations in conductance to distinguish between pristine and oxygen-contaminated silver single atomic contacts. This allows us to separately obtain mechanical information for each of these structural motifs. The independently measured force data also provides new insights about atomic-scale junctions that are not possible to obtain through conductance measurements alone. Using a systematically designed set of molecules, we are able to demonstrate that quantum interference is not quenched in single-molecule junctions even at room temperature and ambient conditions. We have also been successful in conducting one of the first quantitative measurements of van der Waals forces at the metal-molecule interface at the single-molecule level. Finally, towards the end of this thesis, we present a general analytical framework to quantitatively reconstruct the binding energy curves of atomic-scale junctions directly from experiments, thereby unifying all of our mechanical measurements. I conclude with a summary of the work presented in this thesis, and an outlook for potential future studies that could be guided by this work.

Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights

USGS Publications Warehouse

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.

Porting LAMMPS to GPUs.

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

Brown, William Michael; Plimpton, Steven James; Wang, Peng

2010-03-01

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.

Atomic-scale visualization of oxide thin-film surfaces.

PubMed

Iwaya, Katsuya; Ohsawa, Takeo; Shimizu, Ryota; Okada, Yoshinori; Hitosugi, Taro

2018-01-01

The interfaces of complex oxide heterostructures exhibit intriguing phenomena not observed in their constituent materials. The oxide thin-film growth of such heterostructures has been successfully controlled with unit-cell precision; however, atomic-scale understandings of oxide thin-film surfaces and interfaces have remained insufficient. We examined, with atomic precision, the surface and electronic structures of oxide thin films and their growth processes using low-temperature scanning tunneling microscopy. Our results reveal that oxide thin-film surface structures are complicated in contrast to the general perception and that atomically ordered surfaces can be achieved with careful attention to the surface preparation. Such atomically ordered oxide thin-film surfaces offer great opportunities not only for investigating the microscopic origins of interfacial phenomena but also for exploring new surface phenomena and for studying the electronic states of complex oxides that are inaccessible using bulk samples.

Magnetic Core-Shell Morphology of Structurally Uniform Magnetite Nanoparticles

NASA Astrophysics Data System (ADS)

Krycka, Kathryn

2011-03-01

Magnetic nanoscale structures are intriguing, in part, because of the exotic properties that emerge compared with bulk. The reduction of magnetic moment per atom in magnetite with decreasing nanoparticle size, for example, has been hypothesized to originate from surface disordering to anisotropy-induced radial canting, which are difficult to distinguish using conventional magnetometry. Small-angle neutron scattering (SANS) is ideal for probing structure, both chemical and magnetic, from nm to microns across an ensemble of particles. Adding polarization analysis (PASANS) of the neutron spin orientation before and after interaction with the scattering particles allows the magnetic structure to be separated into its vector components. Application of this novel technique to 9 nm magnetite nanoparticles closed-packed into face-centered crystallites with order of a micron revealed that at nominal saturation the missing magnetic moments unexpectedly interacted to form well-ordered shells 1.0 to 1.5 nm thick canted perpendicular to their ferrimagnetic cores between 160 to 320 K. These shells additionally displayed intra-particle ``cross-talk'', selecting a common orientation over clusters of tens of nanoparticles. However, the shells disappeared when the external field was removed and interparticle magnetic interactions were negligible (300 K), confirming their magnetic origin. This work has been carried out in collaboration with Ryan Booth, Julie Borchers, Wangchun Chen, Liv Dedon, Thomas Gentile, Charles Hogg, Yumi Ijiri, Mark Laver, Sara Majetich, James Rhyne, and Shannon Watson.

Synthesis of surfactant-coated cobalt ferrite nanoparticles for adsorptive removal of acid blue 45 dye

NASA Astrophysics Data System (ADS)

Waheed Mushtaq, Muhammad; Kanwal, Farah; Imran, Muhammad; Ameen, Naila; Batool, Madeeha; Batool, Aisha; Bashir, Shahid; Mustansar Abbas, Syed; Rehman, Ata ur; Riaz, Saira; Naseem, Shahzad; Ullah, Zaka

2018-03-01

Cobalt ferrite (CoFe2O4) nanoparticles (NPs) are synthesized by wet chemical coprecipitation method using metal chlorides as precursors and potassium hydroxide (KOH) as a precipitant. The tergitol-1x (T-1x) and didecyldimethyl ammonium bromide (DDAB) are used as capping agents and their effect is investigated on particle size, size distribution and morphology of cobalt ferrite nanoparticles (CFNPs). The Fourier transform infrared spectroscopy confirms the synthesis of CFNPs and formation of metal-oxygen (M-O) bond. The spinel phase structure, morphology, polydispersity and magnetic properties of ferrite nanoparticles are investigated by x-ray diffraction, scanning electron microscopy, dynamic light scattering and vibrating sample magnetometry analyses, respectively. The addition of capping agents effects the secondary growth of CFNPs and reduces their particle size, as is investigated by dynamic light scattering and atomic force microscopy. The results evidence that the DDAB is more promising surfactant to control the particle size (∼13 nm), polydispersity and aggregation of CFNPs. The synthesized CFNPs, CFNPs/T-1x and CFNPs/DDAB are used to study their adsorption potential for removal of acid blue 45 dye, and a maximum adsorptive removal of 92.25% is recorded by 0.1 g of CFNPs/DDAB at pH 2.5 and temperature 20 ± 1 °C. The results show that the dye is physically adsorbed by magnetic NPs and follows the Langmuir isotherm model.

Towards a new class of heavy ion doped magnetic semiconductors for room temperature applications

PubMed Central

Lee, Juwon; Subramaniam, Nagarajan Ganapathi; Agnieszka Kowalik, Iwona; Nisar, Jawad; Lee, Jaechul; Kwon, Younghae; Lee, Jaechoon; Kang, Taewon; Peng, Xiangyang; Arvanitis, Dimitri; Ahuja, Rajeev

2015-01-01

The article presents, using Bi doped ZnO, an example of a heavy ion doped oxide semiconductor, highlighting a novel p-symmetry interaction of the electronic states to stabilize ferromagnetism. The study includes both ab initio theory and experiments, which yield clear evidence for above room temperature ferromagnetism. ZnBixO1−x thin films are grown using the pulsed laser deposition technique. The room temperature ferromagnetism finds its origin in the holes introduced by the Bi doping and the p-p coupling between Bi and the host atoms. A sizeable magnetic moment is measured by means of x-ray magnetic circular dichroism at the O K-edge, probing directly the spin polarization of the O(2p) states. This result is in agreement with the theoretical predictions and inductive magnetometry measurements. Ab initio calculations of the electronic and magnetic structure of ZnBixO1−x at various doping levels allow to trace the origin of the ferromagnetic character of this material. It appears, that the spin-orbit energy of the heavy ion Bi stabilizes the ferromagnetic phase. Thus, ZnBixO1−x doped with a heavy non-ferromagnetic element, such as Bi, is a credible example of a candidate material for a new class of compounds for spintronics applications, based on the spin polarization of the p states. PMID:26592564

Superparamagnetic iron oxide coated on the surface of cellulose nanospheres for the rapid removal of textile dye under mild condition

NASA Astrophysics Data System (ADS)

Qin, Yunfeng; Qin, Zongyi; Liu, Yannan; Cheng, Miao; Qian, Pengfei; Wang, Qian; Zhu, Meifang

2015-12-01

Magnetic composite nanoparticles (MNPs) were prepared by anchoring iron oxide (Fe3O4) on the surface of carboxyl cellulose nanospheres through a facile chemical co-precipitation method. The as-prepared MNPs were characterized by atomic force microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, wide-angle X-ray diffraction measurement, thermal gravity analysis and vibrating sample magnetometry. These MNPs were of a generally spherical shape with a narrow size distribution, and exhibited superparamagnetic behaviors with high saturation magnetization. High efficient removal of Navy blue in aqueous solution was demonstrated at room temperature in a Fenton-like system containing the MNPs and H2O2, which benefited from small particle size, large surface area, high chemical activity, and good dispersibility of the MNPs. The removal efficiency of Navy blue induced by the MNPs prepared at a weight ratio of cellulose to iron of 1:2 were 90.6% at the first minute of the degradation reaction, and 98.0% for 5 min. Furthermore, these MNPs could be efficiently recycled and reused by using an external magnetic field. The approach presented in this paper promotes the use of renewable natural resources as templates for the preparation and stabilization of various inorganic nanomaterials for the purpose of catalysis, magnetic resonance imaging, biomedical and other potential applications.

Structural and magnetic properties of the nanocomposite materials based on a mesoporous silicon dioxide matrix

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

Grigor’eva, N. A., E-mail: natali@lns.pnpi.spb.ru; Eckerlebe, H.; Eliseev, A. A.

2017-03-15

The structural and magnetic properties of the mesoporous systems based on silicon dioxide with a regular hexagonal arrangement of pores several microns in length and several nanometers in diameter, which are filled with iron compound nanofilaments in various chemical states, are studied in detail. The studies are performed using the following mutually complementary methods: transmission electron microscopy, SQUID magnetometry, electron spin resonance, Mössbauer spectroscopy, polarized neutron small-angle diffraction, and synchrotron radiation diffraction. It is shown that the iron nanoparticles in pores are mainly in the γ phase of Fe{sub 2}O{sub 3} with a small addition of the α phase andmore » atomic iron clusters. The effective magnetic field acting on a nanofilament from other nanofilaments is 11 mT and has a dipole nature, the ferromagnetic–paramagnetic transition temperature is in the range 76–94 K depending on the annealing temperature of the samples, and the temperature that corresponds to the change in the magnetic state of the iron oxide nanofilaments is T ≈ 50–60 K at H = 0 and T ≈ 80 K at H = 300 mT. It is also shown that the magnetization reversal of an array of nanofilaments is caused by the magnetostatic interaction between nanofilaments at the fields that are lower than the saturation field.« less

Correlating size and composition-dependent effects with magnetic, Mössbauer, and pair distribution function measurements in a family of catalytically active ferrite nanoparticles

DOE PAGES

Wong, Stanislaus; Papaefthymiou, Georgia C.; Lewis, Crystal S.; ...

2015-05-06

The magnetic spinel ferrites, MFe₂O₄ (wherein 'M' = a divalent metal ion such as but not limited to Mn, Co, Zn, and Ni), represent a unique class of magnetic materials in which the rational introduction of different 'M's can yield correspondingly unique and interesting magnetic behaviors. Herein we present a generalized hydrothermal method for the synthesis of single-crystalline ferrite nanoparticles with 'M' = Mg, Fe, Co, Ni, Cu, and Zn, respectively, which can be systematically and efficaciously produced simply by changing the metal precursor. Our protocol can moreover lead to reproducible size control by judicious selection of various surfactants. Asmore » such, we have probed the effects of both (i) size and (ii) chemical composition upon the magnetic properties of these nanomaterials using complementary magnetometry and Mössbauer spectroscopy techniques. The structure of the samples was confirmed by atomic PDF analysis of X-ray and electron powder diffraction data as a function of particle size. These materials retain the bulk spinel structure to the smallest size (i.e., 3 nm). In addition, we have explored the catalytic potential of our ferrites as both (a) magnetically recoverable photocatalysts and (b) biological catalysts, and noted that many of our as-prepared ferrite systems evinced intrinsically higher activities as compared with their iron oxide analogues.« less

Microscopic modeling of gas-surface scattering: II. Application to argon atom adsorption on a platinum (111) surface

NASA Astrophysics Data System (ADS)

Filinov, A.; Bonitz, M.; Loffhagen, D.

2018-06-01

A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The combined model is based on a classification of all atom trajectories according to their energies into trapped, quasi-trapped and scattering states. The number of particles in each of the three classes obeys coupled rate equations. The coefficients in the rate equations are the transition probabilities between these states which are obtained from MD simulations. While these rates are generally time-dependent, after a characteristic time scale t E of several tens of picoseconds they become stationary allowing for a rather simple analysis. Here, we investigate this time scale by analyzing in detail the temporal evolution of the energy distribution functions of the adsorbate atoms. We separately study the energy loss distribution function of the atoms and the distribution function of in-plane and perpendicular energy components. Further, we compute the sticking probability of argon atoms as a function of incident energy, angle and lattice temperature. Our model is important for plasma-surface modeling as it allows to extend accurate simulations to longer time scales.

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.

Modeling and Control of State-Affine Probabilistic Systems for Atomic-Scale Dynamics

DTIC Science & Technology

2007-06-01

Analysis for Nonlinear Systems. New York: Spring -Verlag, 1987. [5] M. Itoh, "Atomic-scale homoepitaxial growth simulations of reconstructed III-V surfaces...Ridge, NJ; 1995. -- SSC function of the Node 182 [2] M. K. Weldon , K. T. Queeney, J. Eng Jr., K. Raghavachari, and Y. J. Chabal, "The surface science

A convenient method for large-scale STM mapping of freestanding atomically thin conductive membranes

NASA Astrophysics Data System (ADS)

Uder, B.; Hartmann, U.

2017-06-01

Two-dimensional atomically flat sheets with a high flexibility are very attractive as ultrathin membranes but are also inherently challenging for microscopic investigations. We report on a method using Scanning Tunneling Microscopy (STM) under ultra-high vacuum conditions for large-scale mapping of several-micrometer-sized freestanding single and multilayer graphene membranes. This is achieved by operating the STM at unusual parameters. We found that large-scale scanning on atomically thin membranes delivers valuable results using very high tip-scan speeds combined with high feedback-loop gain and low tunneling currents. The method ultimately relies on the particular behavior of the freestanding membrane in the STM which is much different from that of a solid substrate.

Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

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

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzagmore » directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. Lastly, the correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.« less

Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

DOE PAGES

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; ...

2014-12-01

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzagmore » directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. Lastly, the correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.« less

Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene.

PubMed

Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; Son, Young-Woo; Park, Yeonggu; Lee, Mi Jung; Byun, Ik-Su; Kim, Jin-Soo; Choi, Choon-Gi; Bostwick, Aaron; Rotenberg, Eli; Park, Bae Ho

2014-12-01

Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzag directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. The correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.

Advanced UXO Discrimination using Magnetometry: Understanding Remanent Magnetization

DTIC Science & Technology

2009-09-01

moments of steel samples. The MRIP comprises six three-component fluxgate magnetometers symmetrically distributed around a rotating sample holder. Samples...comprises six three- component fluxgate magnetometers symmetrically distributed around a rotating sample holder. Samples are placed on the holder... fluxgate magnetometers symmetrically distributed around a rotating sample holder. Samples are placed on the holder and are slowly spun through two

New Generation Materials and Structures for Nanophotonics and Nanoelectronics

DTIC Science & Technology

2006-04-30

been investigated using thermogravimetric analysis and FTIR spectroscopy. The nanoparticles appear to have excess surfactants on their surface, but...processes. We continued analysis of the vibrational modes of the InP/II- VI core-shell nanoparticles determined by IR and Raman studies, and initiated...photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), BET surface area analysis , transmission electron microscopy (TEM), and SQUID magnetometry. In

Crossover from Polaronic to Magnetically Phase-Separated Behavior in La1-xSrxCoO3

NASA Astrophysics Data System (ADS)

Phelan, D.; El Khatib, S.; Wang, S.; Barker, J.; Zhao, J.; Zheng, H.; Mitchell, J. F.; Leighton, C.

2013-03-01

Dilute hole-doping in La1-xSrxCoO3 leads to the formation of ``spin-state polarons'' where a non-zero spin-state is stabilized on the nearest Co3+ ions surrounding a hole. Here, we discuss the development of electronic/magnetic properties of this system from non-magnetic x=0, through the regime of spin-state polarons, and into the region where longer-range spin correlations and phase separation develop. We present magnetometry, transport, heat capacity, and small-angle neutron scattering (SANS) on single crystals. Magnetometry indicates a crossover with x from Langevin-like behavior (polaronic) to a state with a freezing temperature and finite coercivity. Fascinating correlations with this behavior are seen in transport measurements, the evolution from polaronic to clustered states being accompanied by a crossover from Mott variable range hopping to intercluster hopping. SANS data shows Lorentzian scattering from short-range ferromagnetic clusters first emerging around x = 0.03 with correlation lengths of order two unit cells. We argue that this system provides a unique opportunity to understand in detail the crossover from polaronic to truly phase-separated states.

Interplay of structural chemistry and magnetism in perovskites; A study of CaLn2Ni2WO9; Ln=La, Pr, Nd

NASA Astrophysics Data System (ADS)

Chin, Chun-Mann; Paria Sena, Robert; Hunter, Emily C.; Hadermann, Joke; Battle, Peter D.

2017-07-01

Polycrystalline samples of CaLn2Ni2WO9 (Ln=La, Pr, Nd) have been synthesized and characterised by a combination of X-ray and neutron diffraction, electron microscopy and magnetometry. Each composition adopts a perovskite-like structure with a 5.50, b 5.56, c 7.78 Å, β 90.1° in space group P21/n. Of the two crystallographically distinct six-coordinate sites, one is occupied entirely (Ln=Pr) or predominantly (Ln=La, Nd) by Ni2+ and the other by Ni2+ and W6+ in a ratio of approximately 1:2. None of the compounds shows long-range magnetic order at 5 K. The magnetometry data show that the magnetic moments of the Ni2+ cations form a spin glass below 30 K in each case. The Pr3+ moments in CaPr2Ni2WO9 also freeze but the Nd3+ moments in CaNd2Ni2WO9 do not. This behaviour is contrasted with that observed in other (A,A')B2B'O9 perovskites.

Application of SQUIDs to low temperature and high magnetic field measurements—Ultra low noise torque magnetometry

NASA Astrophysics Data System (ADS)

Arnold, F.; Naumann, M.; Lühmann, Th.; Mackenzie, A. P.; Hassinger, E.

2018-02-01

Torque magnetometry is a key method to measure the magnetic anisotropy and quantum oscillations in metals. In order to resolve quantum oscillations in sub-millimeter sized samples, piezo-electric micro-cantilevers were introduced. In the case of strongly correlated metals with large Fermi surfaces and high cyclotron masses, magnetic torque resolving powers in excess of 104 are required at temperatures well below 1 K and magnetic fields beyond 10 T. Here, we present a new broadband read-out scheme for piezo-electric micro-cantilevers via Wheatstone-type resistance measurements in magnetic fields up to 15 T and temperatures down to 200 mK. By using a two-stage superconducting-quantum interference device as a null detector of a cold Wheatstone bridge, we were able to achieve a magnetic moment resolution of Δm = 4 × 10-15 J/T at maximal field and 700 mK, outperforming conventional magnetometers by at least one order of magnitude in this temperature and magnetic field range. Exemplary de Haas-van Alphen measurement of a newly grown delafossite, PdRhO2, was used to show the superior performance of our setup.

Magnetic properties of Cu80Co20 and Cu80Co15Fe5 melt-spun ribbons

NASA Astrophysics Data System (ADS)

Rubinstein, Mark; Harris, V. G.; Das, B. N.; Koon, N. C.

1994-11-01

The magnetic properties of granular, annealed, melt-spun ribbons of the ``giant'' magnetoresistors, Cu80Co20 and Cu80Co15Fe5, have been studied by a variety of techniques. These include x-ray dfiffraction, electron microscopy, ferromagnetic resonance, SQUID magnetometry, Mössbauer-effect spectroscopy, and magnetoresistance. We utilize each of these measurements to reveal different aspects of the particle size distribution as a function of annealing temperatures. These melt-spun alloys require large magnetic fields for magnetic saturation, impairing their utility as magnetic sensors. However, the properties of melt-spun ribbons provide an understanding of why all granular magnetic materials are difficult to saturate. The magnetoresistance ratio of these alloys is maximized by a 500 °C anneal with Δρ/ρ~=14% at 4.2 K. The paramagnetic fraction determined by SQUID magnetometry at 4.2 K is 33% for this annealing temperature. The paramagnetic fraction determined by Mössbauer spectroscopy is 14% for samples annealed by 500 °C, and vanishes when the sample is annealed at 900 °C. The discrepancy between the two measurements of the paramagnetic fraction is due to the vastly different averaging times of the two techniques.

A novel approach to quantify different iron forms in ex-vivo human brain tissue

PubMed Central

Kumar, Pravin; Bulk, Marjolein; Webb, Andrew; van der Weerd, Louise; Oosterkamp, Tjerk H.; Huber, Martina; Bossoni, Lucia

2016-01-01

We propose a novel combination of methods to study the physical properties of ferric ions and iron-oxide nanoparticles in post-mortem human brain, based on the combination of Electron Paramagnetic Resonance (EPR) and SQUID magnetometry. By means of EPR, we derive the concentration of the low molecular weight iron pool, as well as the product of its electron spin relaxation times. Additionally, by SQUID magnetometry we identify iron mineralization products ascribable to a magnetite/maghemite phase and a ferrihydrite (ferritin) phase. We further derive the concentration of magnetite/maghemite and of ferritin nanoparticles. To test out the new combined methodology, we studied brain tissue of an Alzheimer’s patient and a healthy control. Finally, we estimate that the size of the magnetite/maghemite nanoparticles, whose magnetic moments are blocked at room temperature, exceeds 40–50 nm, which is not compatible with the ferritin protein, the core of which is typically 6–8 nm. We believe that this methodology could be beneficial in the study of neurodegenerative diseases such as Alzheimer’s Disease which are characterized by abnormal iron accumulation in the brain. PMID:27941952

Interplay of electronic, structural and magnetic properties as the driving feature of high-entropy CoCrFeNiPd alloys

NASA Astrophysics Data System (ADS)

Calvo-Dahlborg, M.; Cornide, J.; Tobola, J.; Nguyen-Manh, D.; Wróbel, J. S.; Juraszek, J.; Jouen, S.; Dahlborg, U.

2017-05-01

The structural and magnetic properties of CoCrFe y Ni and CoCrFeNi-Pd x alloys earlier investigated experimentally by x-ray and neutron diffraction techniques and magnetometry have been theoretically reproduced using two complementary approaches for electronic structure calculations, i.e. the Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) and implemented in the ab initio framework of density functional theory and the Vienna ab initio simulation package (VASP) for supercell models of high-entropy alloy (HEA) structures. The comparison between experimental results and calculations of the lattice constants by both calculation methods indicate that the structure of CoCrFe y Ni is well described by ordered fcc configurations. The values of local magnetic moments on Fe, Co, Cr, and Ni atoms depend not only on the Pd concentration but on chemical disordering. In the case of the CoCrFeNi-Pd x alloys, the KKR-CPA and the VASP calculations of disordered configurations reproduce the experimental values at 5 K up to equimolar composition and at 300 K above. The experimental values above the equimolar composition at 5 K are not satisfactorily reproduced by any of the calculations. The divergence between the experimental and calculated values is related to the variation of the ferromagnetic to paramagnetic transition temperature as a function of palladium content and to the existence of several phases, FeCoCr-rich above room temperature and FeCrPd-rich below, observed by diffraction and detected by microscopy and atom probe investigations. VASP calculations of a FeCrPd-rich phase effectively reproduced both the lattice constant and magnetization of the alloy above equimolar composition. An important conclusion of this work is that the combined analysis of the electronic, structural, and magnetic properties plays an important role in understanding the complexity of magnetic HEAs.

Ultrafast time scale X-rotation of cold atom storage qubit using Rubidium clock states

NASA Astrophysics Data System (ADS)

Song, Yunheung; Lee, Han-Gyeol; Kim, Hyosub; Jo, Hanlae; Ahn, Jaewook

2017-04-01

Ultrafast-time-scale optical interaction is a local operation on the electronic subspace of an atom, thus leaving its nuclear state intact. However, because atomic clock states are maximally entangled states of the electronic and nuclear degrees of freedom, their entire Hilbert space should be accessible only with local operations and classical communications (LOCC). Therefore, it may be possible to achieve hyperfine qubit gates only with electronic transitions. Here we show an experimental implementation of ultrafast X-rotation of atomic hyperfine qubits, in which an optical Rabi oscillation induces a geometric phase between the constituent fine-structure states, thus bringing about the X-rotation between the two ground hyperfine levels. In experiments, cold atoms in a magneto-optical trap were controlled with a femtosecond laser pulse from a Ti:sapphire laser amplifier. Absorption imaging of the as-controlled atoms initially in the ground hyperfine state manifested polarization dependence, strongly agreeing with the theory. The result indicates that single laser pulse implementations of THz clock speed qubit controls are feasible for atomic storage qubits. Samsung Science and Technology Foundation [SSTF-BA1301-12].

Atom probe tomographic mapping directly reveals the atomic distribution of phosphorus in resin embedded ferritin

DOE PAGES

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah A. G.; ...

2016-02-29

In this study, we report the atomic-scale analysis of biological interfaces using atom probe tomography. Embedding the protein ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualize atomic distributions and distinguish organic-organic and organic-inorganic interfaces. The sample preparation method can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment.

Molecular transport through capillaries made with atomic-scale precision

NASA Astrophysics Data System (ADS)

Radha, B.; Esfandiar, A.; Wang, F. C.; Rooney, A. P.; Gopinadhan, K.; Keerthi, A.; Mishchenko, A.; Janardanan, A.; Blake, P.; Fumagalli, L.; Lozada-Hidalgo, M.; Garaj, S.; Haigh, S. J.; Grigorieva, I. V.; Wu, H. A.; Geim, A. K.

2016-10-01

Nanometre-scale pores and capillaries have long been studied because of their importance in many natural phenomena and their use in numerous applications. A more recent development is the ability to fabricate artificial capillaries with nanometre dimensions, which has enabled new research on molecular transport and led to the emergence of nanofluidics. But surface roughness in particular makes it challenging to produce capillaries with precisely controlled dimensions at this spatial scale. Here we report the fabrication of narrow and smooth capillaries through van der Waals assembly, with atomically flat sheets at the top and bottom separated by spacers made of two-dimensional crystals with a precisely controlled number of layers. We use graphene and its multilayers as archetypal two-dimensional materials to demonstrate this technology, which produces structures that can be viewed as if individual atomic planes had been removed from a bulk crystal to leave behind flat voids of a height chosen with atomic-scale precision. Water transport through the channels, ranging in height from one to several dozen atomic planes, is characterized by unexpectedly fast flow (up to 1 metre per second) that we attribute to high capillary pressures (about 1,000 bar) and large slip lengths. For channels that accommodate only a few layers of water, the flow exhibits a marked enhancement that we associate with an increased structural order in nanoconfined water. Our work opens up an avenue to making capillaries and cavities with sizes tunable to ångström precision, and with permeation properties further controlled through a wide choice of atomically flat materials available for channel walls.

Scaling laws of Rydberg excitons

NASA Astrophysics Data System (ADS)

Heckötter, J.; Freitag, M.; Fröhlich, D.; Aßmann, M.; Bayer, M.; Semina, M. A.; Glazov, M. M.

2017-09-01

Rydberg atoms have attracted considerable interest due to their huge interaction among each other and with external fields. They demonstrate characteristic scaling laws in dependence on the principal quantum number n for features such as the magnetic field for level crossing or the electric field of dissociation. Recently, the observation of excitons in highly excited states has allowed studying Rydberg physics in cuprous oxide crystals. Fundamentally different insights may be expected for Rydberg excitons, as the crystal environment and associated symmetry reduction compared to vacuum give not only optical access to many more states within an exciton multiplet but also extend the Hamiltonian for describing the exciton beyond the hydrogen model. Here we study experimentally and theoretically the scaling of several parameters of Rydberg excitons with n , for some of which we indeed find laws different from those of atoms. For others we find identical scaling laws with n , even though their origin may be distinctly different from the atomic case. At zero field the energy splitting of a particular multiplet n scales as n-3 due to crystal-specific terms in the Hamiltonian, e.g., from the valence band structure. From absorption spectra in magnetic field we find for the first crossing of levels with adjacent principal quantum numbers a Br∝n-4 dependence of the resonance field strength, Br, due to the dominant paramagnetic term unlike for atoms for which the diamagnetic contribution is decisive, resulting in a Br∝n-6 dependence. By contrast, the resonance electric field strength shows a scaling as Er∝n-5 as for Rydberg atoms. Also similar to atoms with the exception of hydrogen we observe anticrossings between states belonging to multiplets with different principal quantum numbers at these resonances. The energy splittings at the avoided crossings scale roughly as n-4, again due to crystal specific features in the exciton Hamiltonian. The data also allow us to assess the susceptibility of Rydberg excitons to the external fields: The crossover field strength in magnetic field from a hydrogenlike exciton to a magnetoexciton dominated by electron and hole Landau level quantization scales as n-3. In electric field, on the other hand, we observe the exciton polarizability to scale as n7. At higher fields, the exciton ionization can be studied with ionization voltages that demonstrate an n-4 scaling law. Particularly interesting is the field dependence of the width of the absorption lines which remains constant before dissociation for high enough n , while for small n ≲12 an exponential increase is found. These results are in excellent agreement with theoretical predictions.

Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

PubMed Central

Chi, Miaofang; Wang, Chao; Lei, Yinkai; Wang, Guofeng; Li, Dongguo; More, Karren L.; Lupini, Andrew; Allard, Lawrence F.; Markovic, Nenad M.; Stamenkovic, Vojislav R.

2015-01-01

The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation; nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. This work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance. PMID:26576477

Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing

DOE PAGES

Chi, Miaofang; Wang, Chao; Lei, Yinkai; ...

2015-11-18

The catalytic performance of nanoparticles is primarily determined by the precise nature of the surface and near-surface atomic configurations, which can be tailored by post-synthesis annealing effectively and straightforwardly. Understanding the complete dynamic response of surface structure and chemistry to thermal treatments at the atomic scale is imperative for the rational design of catalyst nanoparticles. Here, by tracking the same individual Pt 3Co nanoparticles during in situ annealing in a scanning transmission electron microscope, we directly discern five distinct stages of surface elemental rearrangements in Pt 3Co nanoparticles at the atomic scale: initial random (alloy) elemental distribution; surface platinum-skin-layer formation;more » nucleation of structurally ordered domains; ordered framework development and, finally, initiation of amorphization. Furthermore, a comprehensive interplay among phase evolution, surface faceting and elemental inter-diffusion is revealed, and supported by atomistic simulations. In conlcusion, this work may pave the way towards designing catalysts through post-synthesis annealing for optimized catalytic performance.« less

Ultralow-Noise Atomic-Scale Structures for Quantum Circuitry in Silicon.

PubMed

Shamim, Saquib; Weber, Bent; Thompson, Daniel W; Simmons, Michelle Y; Ghosh, Arindam

2016-09-14

The atomically precise doping of silicon with phosphorus (Si:P) using scanning tunneling microscopy (STM) promises ultimate miniaturization of field effect transistors. The one-dimensional (1D) Si:P nanowires are of particular interest, retaining exceptional conductivity down to the atomic scale, and are predicted as interconnects for a scalable silicon-based quantum computer. Here, we show that ultrathin Si:P nanowires form one of the most-stable electrical conductors, with the phenomenological Hooge parameter of low-frequency noise being as low as ≈10(-8) at 4.2 K, nearly 3 orders of magnitude lower than even carbon-nanotube-based 1D conductors. A in-built isolation from the surface charge fluctuations due to encapsulation of the wires within the epitaxial Si matrix is the dominant cause for the observed suppression of noise. Apart from quantum information technology, our results confirm the promising prospects for precision-doped Si:P structures in atomic-scale circuitry for the 11 nm technology node and beyond.

Subatomic-scale force vector mapping above a Ge(001) dimer using bimodal atomic force microscopy

NASA Astrophysics Data System (ADS)

Naitoh, Yoshitaka; Turanský, Robert; Brndiar, Ján; Li, Yan Jun; Štich, Ivan; Sugawara, Yasuhiro

2017-07-01

Probing physical quantities on the nanoscale that have directionality, such as magnetic moments, electric dipoles, or the force response of a surface, is essential for characterizing functionalized materials for nanotechnological device applications. Currently, such physical quantities are usually experimentally obtained as scalars. To investigate the physical properties of a surface on the nanoscale in depth, these properties must be measured as vectors. Here we demonstrate a three-force-component detection method, based on multi-frequency atomic force microscopy on the subatomic scale and apply it to a Ge(001)-c(4 × 2) surface. We probed the surface-normal and surface-parallel force components above the surface and their direction-dependent anisotropy and expressed them as a three-dimensional force vector distribution. Access to the atomic-scale force distribution on the surface will enable better understanding of nanoscale surface morphologies, chemical composition and reactions, probing nanostructures via atomic or molecular manipulation, and provide insights into the behaviour of nano-machines on substrates.

Total Born approximation cross sections for single electron loss by atoms and ions colliding with atoms

NASA Technical Reports Server (NTRS)

Rule, D. W.

1977-01-01

The first born approximation (FBA) is applied to the calculation of single electron loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions were used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors were used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge was explored in the case of hydrogen-like ions. Scaling of the cross section with respect to the target nuclear charge for electron loss by Fe (+25) in collision with neutral atoms ranging from H to Fe is also examined. These results were compared to those of the binary encounter approximation and to the FBA for the case of ionization by completely stripped target ions.

Peculiar bonding associated with atomic doping and hidden honeycombs in borophene

NASA Astrophysics Data System (ADS)

Lee, Chi-Cheng; Feng, Baojie; D'angelo, Marie; Yukawa, Ryu; Liu, Ro-Ya; Kondo, Takahiro; Kumigashira, Hiroshi; Matsuda, Iwao; Ozaki, Taisuke

2018-02-01

Engineering atomic-scale structures allows great manipulation of physical properties and chemical processes for advanced technology. We show that the B atoms deployed at the centers of honeycombs in boron sheets, borophene, behave as nearly perfect electron donors for filling the graphitic σ bonding states without forming additional in-plane bonds by first-principles calculations. The dilute electron density distribution owing to the weak bonding surrounding the center atoms provides easier atomic-scale engineering and is highly tunable via in-plane strain, promising for practical applications, such as modulating the extraordinarily high thermal conductance that exceeds the reported value in graphene. The hidden honeycomb bonding structure suggests an unusual energy sequence of core electrons that has been verified by our high-resolution core-level photoelectron spectroscopy measurements. With the experimental and theoretical evidence, we demonstrate that borophene exhibits a peculiar bonding structure and is distinctive among two-dimensional materials.

Real-space analysis of diffusion behavior and activation energy of individual monatomic ions in a liquid.

PubMed

Miyata, Tomohiro; Uesugi, Fumihiko; Mizoguchi, Teruyasu

2017-12-01

Investigation of the local dynamic behavior of atoms and molecules in liquids is crucial for revealing the origin of macroscopic liquid properties. Therefore, direct imaging of single atoms to understand their motions in liquids is desirable. Ionic liquids have been studied for various applications, in which they are used as electrolytes or solvents. However, atomic-scale diffusion and relaxation processes in ionic liquids have never been observed experimentally. We directly observe the motion of individual monatomic ions in an ionic liquid using scanning transmission electron microscopy (STEM) and reveal that the ions diffuse by a cage-jump mechanism. Moreover, we estimate the diffusion coefficient and activation energy for the diffusive jumps from the STEM images, which connect the atomic-scale dynamics to macroscopic liquid properties. Our method is the only available means to observe the motion, reactions, and energy barriers of atoms/molecules in liquids.

Atomic mechanism for the growth of wafer-scale single-crystal graphene: theoretical perspective and scanning tunneling microscopy investigations

NASA Astrophysics Data System (ADS)

Niu, Tianchao; Zhang, Jialin; Chen, Wei

2017-12-01

Chemical vapor deposition (CVD) is the most promising approach for producing low-cost, high-quality, and large area graphene. Revealing the graphene growth mechanism at the atomic-scale is of great importance for realizing single crystal graphene (SCG) over wafer scale. Density functional theoretical (DFT) calculations are playing an increasingly important role in revealing the structure of the most stable carbon species, understanding the evolution processes, and disclosing the active sites. Scanning tunneling microscopy (STM) is a powerful surface characterization tool to illustrate the real space distribution and atomic structures of growth intermediates during the CVD process. Combining them together can provide valuable information to improve the atomically controlled growth of SCG. Starting from a basic concept of the substrate effect on realizing SCG, this review covers the progress made in theoretical investigations on various carbon species during graphene growth on different transition metal substrates, in the STM study of the structural intermediates on transition metal surfaces, and in synthesizing graphene nanoribbons with atomic-precise width and edge structure, ending with a perspective on the future development of 2D materials beyond graphene.

Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Simulations of the Molecular Crystal alphaRDX

DTIC Science & Technology

2013-08-01

potential for HMX / RDX (3, 9). ...................................................................................8 1 1. Purpose This work...6 dispersion and electrostatic interactions. Constants for the SB potential are given in table 1. 8 Table 1. SB potential for HMX / RDX (3, 9...modeling dislocations in the energetic molecular crystal RDX using the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) molecular

Analysis of the Atomic-Scale Defect Chemistry at Interfaces in Fluorite Structured Oxides by Electron Energy Loss Spectroscopy

DTIC Science & Technology

2001-11-01

electronic properties, i.e. oxygen coordination and cation valence at grain boundaries of the fluorite structured Gdo]2Ceo.gO 2_x ceramic membrane material...required to obtain a detailed understanding of the atomic scale phenomena in ceramics, as the polycrystalline nature of Gdo.2Ceo.802- ceramic membrane material

In Situ Atomic-Scale Observation of Electrochemical Delithiation Induced Structure Evolution of LiCoO2 Cathode in a Working All-Solid-State Battery.

PubMed

Gong, Yue; Zhang, Jienan; Jiang, Liwei; Shi, Jin-An; Zhang, Qinghua; Yang, Zhenzhong; Zou, Dongli; Wang, Jiangyong; Yu, Xiqian; Xiao, Ruijuan; Hu, Yong-Sheng; Gu, Lin; Li, Hong; Chen, Liquan

2017-03-29

We report a method for in situ atomic-scale observation of electrochemical delithiation in a working all-solid-state battery using a state-of-the-art chip based in situ transmission electron microscopy (TEM) holder and focused ion beam milling to prepare an all-solid-state lithium-ion battery sample. A battery consisting of LiCoO 2 cathode, LLZO solid state electrolyte and gold anode was constructed, delithiated and observed in an aberration corrected scanning transmission electron microscope at atomic scale. We found that the pristine single crystal LiCoO 2 became nanosized polycrystal connected by coherent twin boundaries and antiphase domain boundaries after high voltage delithiation. This is different from liquid electrolyte batteries, where a series of phase transitions take place at LiCoO 2 cathode during delithiation. Both grain boundaries become more energy favorable along with extraction of lithium ions through theoretical calculation. We also proposed a lithium migration pathway before and after polycrystallization. This new methodology could stimulate atomic scale in situ scanning/TEM studies of battery materials and provide important mechanistic insight for designing better all-solid-state battery.

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.

The chip-scale atomic clock : prototype evaluation.

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

Mescher, Mark; Varghese, Mathew; Lutwak, Robert

2007-12-01

The authors have developed a chip-scale atomic clock (CSAC) for applications requiring atomic timing accuracy in portable battery-powered applications. At PTTI/FCS 2005, they reported on the demonstration of a prototype CSAC, with an overall size of 10 cm{sup 3}, power consumption > 150 mW, and short-term stability sy(t) < 1 x 10-9t-1/2. Since that report, they have completed the development of the CSAC, including provision for autonomous lock acquisition and a calibrated output at 10.0 MHz, in addition to modifications to the physics package and system architecture to improve performance and manufacturability.

Manipulating, Reacting, and Constructing Single Molecules with a Scanning Tunneling Microscope Tip

NASA Astrophysics Data System (ADS)

Hla, S.-W.

The fascinating advances in atom and molecule manipulation with the scanning tunneling microscope (STM) tip allow scientists to fabricate artificial atomic scale structures, to study local quantum phenomena, or to probe physical and chemical properties of single atoms and molecules on surfaces. Recent achievements in individual synthesis of single molecules with the STM tip further open up an entirely new opportunities in nanoscience and technology. The STM manipulation techniques usef ul in the molecular construction are reviewed and prospects for future opportunities of single molecule chemical engineering and their possible implications to nano-scale science and technology are discussed.

Effect of deposition rate on melting point of copper film catalyst substrate at atomic scale

NASA Astrophysics Data System (ADS)

Marimpul, Rinaldo; Syuhada, Ibnu; Rosikhin, Ahmad; Winata, Toto

2018-03-01

Annealing process of copper film catalyst substrate was studied by molcular dynamics simulation. This copper film catalyst substrate was produced using thermal evaporation method. The annealing process was limited in nanosecond order to observe the mechanism at atomic scale. We found that deposition rate parameter affected the melting point of catalyst substrate. The change of crystalline structure of copper atoms was observed before it had been already at melting point. The optimum annealing temperature was obtained to get the highest percentage of fcc structure on copper film catalyst substrate.

Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

DTIC Science & Technology

2013-04-01

DTRA-TR-13-23 Synthesis, Characterization, and Multimillion -Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat Approved for...reagents for the destruction of biologically active materials and a simulation of their reactions on a multimillion atom scale with quantum...explosives for destruction of chemical & biological agents. Multimillion -atom molecular dynamics simulations with quantum mechanical accuracy were

Magnetic field sensing with nitrogen-vacancy color centers in diamond

NASA Astrophysics Data System (ADS)

Pham, Linh My

In recent years, the nitrogen-vacancy (NV) center has emerged as a promising magnetic sensor capable of measuring magnetic fields with high sensitivity and spatial resolution under ambient conditions. This combination of characteristics allows NV magnetometers to probe magnetic structures and systems that were previously inaccessible with alternative magnetic sensing technologies This dissertation presents and discusses a number of the initial efforts to demonstrate and improve NV magnetometry. In particular, a wide-field CCD based NV magnetic field imager capable of micron-scale spatial resolution is demonstrated; and magnetic field alignment, preferential NV orientation, and multipulse dynamical decoupling techniques are explored for enhancing magnetic sensitivity. The further application of dynamical decoupling control sequences as a spectral probe to extract information about the dynamics of the NV spin environment is also discussed; such information may be useful for determining optimal diamond sample parameters for different applications. Finally, several proposed and recently demonstrated applications which take advantage of NV magnetometers' sensitivity and spatial resolution at room temperature are presented, with particular focus on bio-magnetic field imaging.

Optimizing a dynamical decoupling protocol for solid-state electronic spin ensembles in diamond

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

Farfurnik, D.; Jarmola, A.; Pham, L. M.

2015-08-24

In this study, we demonstrate significant improvements of the spin coherence time of a dense ensemble of nitrogen-vacancy (NV) centers in diamond through optimized dynamical decoupling (DD). Cooling the sample down to 77 K suppresses longitudinal spin relaxation T 1 effects and DD microwave pulses are used to increase the transverse coherence time T 2 from ~0.7ms up to ~30ms. Furthermore, we extend previous work of single-axis (Carr-Purcell-Meiboom-Gill) DD towards the preservation of arbitrary spin states. Following a theoretical and experimental characterization of pulse and detuning errors, we compare the performance of various DD protocols. We also identify that themore » optimal control scheme for preserving an arbitrary spin state is a recursive protocol, the concatenated version of the XY8 pulse sequence. The improved spin coherence might have an immediate impact on improvements of the sensitivities of ac magnetometry. Moreover, the protocol can be used on denser diamond samples to increase coherence times up to NV-NV interaction time scales, a major step towards the creation of quantum collective NV spin states.« less

Remote sensing techniques in cultural resource management archaeology

NASA Astrophysics Data System (ADS)

Johnson, Jay K.; Haley, Bryan S.

2003-04-01

Cultural resource management archaeology in the United States concerns compliance with legislation set in place to protect archaeological resources from the impact of modern activities. Traditionally, surface collection, shovel testing, test excavation, and mechanical stripping are used in these projects. These methods are expensive, time consuming, and may poorly represent the features within archaeological sites. The use of remote sensing techniques in cultural resource management archaeology may provide an answer to these problems. Near-surface geophysical techniques, including magnetometry, resistivity, electromagnetics, and ground penetrating radar, have proven to be particularly successful at efficiently locating archaeological features. Research has also indicated airborne and satellite remote sensing may hold some promise in the future for large-scale archaeological survey, although this is difficult in many areas of the world where ground cover reflect archaeological features in an indirect manner. A cost simulation of a hypothetical data recovery project on a large complex site in Mississippi is presented to illustrate the potential advantages of remote sensing in a cultural resource management setting. The results indicate these techniques can save a substantial amount of time and money for these projects.

Thermally induced magnetic relaxation in square artificial spin ice

DOE PAGES

Andersson, M. S.; Pappas, S. D.; Stopfel, H.; ...

2016-11-24

The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here in this paper, we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system $-$ square artificial spin ice $-$ we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Usingmore » time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.« less

Thermally induced magnetic relaxation in square artificial spin ice

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

Andersson, M. S.; Pappas, S. D.; Stopfel, H.

The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here in this paper, we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system $-$ square artificial spin ice $-$ we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Usingmore » time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.« less

STM studies of an atomic-scale gate electrode formed by a single charged vacancy in GaAs

NASA Astrophysics Data System (ADS)

Lee, Donghun; Daughton, David; Gupta, Jay

2009-03-01

Electric-field control of spin-spin interactions at the atomic level is desirable for the realization of spintronics and spin-based quantum computation. Here we demonstrate the realization of an atomic-scale gate electrode formed by a single charged vacancy on the GaAs(110) surface[1]. We can position these vacancies with atomic precision using the tip of a home-built, low temperature STM. Tunneling spectroscopy of single Mn acceptors is used to quantify the electrostatic field as a function of distance from the vacancy. Single Mn acceptors are formed by substituting Mn adatoms for Ga atoms in the first layer of the p-GaAs(110) surface[2]. Depending on the distance, the in-gap resonance of single Mn acceptors can shift as much as 200meV. Our data indicate that the electrostatic field decays according to a screened Coulomb potential. The charge state of the vacancy can be switched to neutral, as evidenced by the Mn resonance returning to its unperturbed position. Reversible control of the local electric field as well as charged states of defects in semiconductors can open new insights such as realizing an atomic-scale gate control and studying spin-spin interactions in semiconductors. http://www.physics.ohio-state.edu/sim jgupta [1] D. Lee and J.A. Gupta (in preparation) [2] D. Kitchen et al., Nature 442, 436-439 (2006)

Atomic theory of viscoelastic response and memory effects in metallic glasses

NASA Astrophysics Data System (ADS)

Cui, Bingyu; Yang, Jie; Qiao, Jichao; Jiang, Minqiang; Dai, Lanhong; Wang, Yun-Jiang; Zaccone, Alessio

2017-09-01

An atomic-scale theory of the viscoelastic response of metallic glasses is derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath Hamiltonian as a starting point within the framework of nonaffine linear response to mechanical deformation. This approach provides a generalized Langevin equation (GLE) as the average equation of motion for an atom or ion in the material, from which non-Markovian nonaffine viscoelastic moduli are extracted. These can be evaluated using the vibrational density of states (DOS) as input, where the boson peak plays a prominent role in the mechanics. To compare with experimental data for binary ZrCu alloys, a numerical DOS was obtained from simulations of this system, which also take electronic degrees of freedom into account via the embedded-atom method for the interatomic potential. It is shown that the viscoelastic α -relaxation, including the α -wing asymmetry in the loss modulus, can be very well described by the theory if the memory kernel (the non-Markovian friction) in the GLE is taken to be a stretched-exponential decaying function of time. This finding directly implies strong memory effects in the atomic-scale dynamics and suggests that the α -relaxation time is related to the characteristic time scale over which atoms retain memory of their previous collision history. This memory time grows dramatically below the glass transition.

Demonstration of Helicopter Multi-Towed Array Detection System (MTADS) Magnetometry Technology at Pueblo Precision Bombing Range #2, Colorado

DTIC Science & Technology

2008-08-28

for aircraft pitch measurement Fluxgate magnetometer 10 RS232- ASCII SerialDevice.fluxgate Provides redundant aircraft attitude measurement...Figure 28. Filtered, ’final’ magnetometer data taken at high altitude. ......................................................... 43 LIST OF TABLES...flight. The magnetometer data can be analyzed to extract either distributions of magnetic anomalies (which can be further used to locate and bound

Optical Magnetometry for Detecting Underwater Objects

DTIC Science & Technology

2015-09-21

underwater object. The two mechanisms responsible for the polarization rotation are the Surface Magneto-Optical Kerr Effect (SMOKE) and the Faraday effect...the underwater object itself ( Faraday effect). An analytical expression is obtained for the polarization-rotated field when the incident plane wave...Washington, DC 20375-5320 October 2014 – August 2015 NRL *University of Maryland, College Park, MD 20742-4111 Faraday SMOKE 67-4374-C4 1 Optical

A combined magnetometry and gravity study across Zagros orogeny in Iran

NASA Astrophysics Data System (ADS)

Abedi, Maysam; Oskooi, Behrooz

2015-11-01

In this work, the structural geology and the tectonic conditions of the Zagros orogeny along the route of Qom to Kermanshah cities were investigated using the combined geophysical methods of the airborne magnetometry and the ground-based gravity data. Airborne magnetometry data of Iran with a line space of survey, 7.5 km, were used to model the magnetic susceptibility property along the route. At first, the airborne magnetic data were stably 500-m downward continued to the ground surface in order to enhance minor changes of the Earth's magnetic field over the studied region. Afterward, 3D inverse modeling of the magnetic data was implemented to the downward continued data, and subsequently the section of magnetic susceptibility variation along the desired route was extracted and imaged at depth. The acquired model could appropriately predict the observed magnetic data, showing low misfit values between the observation and the predicted data. The analytic signal filter was applied to the reduced-to-pole (RTP) magnetic data leading to the determination of the active and probable hidden faults in the structural zones of the Zagros, such as Sanandaj-Sirjan, Central Domain (CD) and Urumieh-Dokhtar based upon the generated peaks along the profile of analytic signal filter. In addition, the density variations of the subsurface geological layers were determined by 3D inverting of the ground-based gravity data over the whole study area, and extracting this property along the route. The joint models of magnetic susceptibility and density variation could appropriately localize the traces of faults along with the geologically and tectonically structural boundaries in the region. The locations of faults correspond well to the variation of geophysical parameters on the inverted sections. Probable direction, slope and extension at depth of these faults were also determined on the sections, indicating a high tectonized zone of the Sanandaj-Sirjan Zone (SSZ) parallel to the zone of the Urumieh-Dokhtar Magmatic Assemblage (UDMA). The UDMA zone increases the magnetic and the Bouguer anomalies by intruding into the CD zone as well.

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

Enhancing light-atom interactions via atomic bunching

NASA Astrophysics Data System (ADS)

Schmittberger, Bonnie L.; Gauthier, Daniel J.

2014-07-01

There is a broad interest in enhancing the strength of light-atom interactions to the point where injecting a single photon induces a nonlinear material response. Here we show theoretically that sub-Doppler-cooled two-level atoms that are spatially organized by weak optical fields give rise to a nonlinear material response that is greatly enhanced beyond that attainable in a homogeneous gas. Specifically, in the regime where the intensity of the applied optical fields is much less than the off-resonance saturation intensity, we show that the third-order nonlinear susceptibility scales inversely with atomic temperature and, due to this scaling, can be two orders of magnitude larger than that of a homogeneous gas for typical experimental parameters. As a result, we predict that spatially bunched two-level atoms can exhibit single-photon nonlinearities. Our model is valid for all regimes of atomic bunching and simultaneously accounts for the backaction of the atoms on the optical fields. Our results agree with previous theoretical and experimental results for light-atom interactions that have considered only limited regimes of atomic bunching. For lattice beams tuned to the low-frequency side of the atomic transition, we find that the nonlinearity transitions from a self-focusing type to a self-defocusing type at a critical intensity. We also show that higher than third-order nonlinear optical susceptibilities are significant in the regime where the dipole potential energy is on the order of the atomic thermal energy. We therefore find that it is crucial to retain high-order nonlinearities to accurately predict interactions of laser fields with spatially organized ultracold atoms. The model presented here is a foundation for modeling low-light-level nonlinear optical processes for ultracold atoms in optical lattices.

Vacancy Transport and Interactions on Metal Surfaces

DTIC Science & Technology

2014-03-06

prevent obtaining systematical pictures with atomic scale resolution. Thus the experiments on adatom and mono -vacancy surface diffusion on Ag(110) were...vacuum conditions with atomic scale resolution with Scanning Tunneling Microscope (STM) and Field Ion Microscope (FIM). For each investigated material...experimental conditions for creation of surface vacancies on Au(100) has been determined and observations of surface diffusion of mono vacancies has been

Dependence of high density nitrogen-vacancy center ensemble coherence on electron irradiation doses and annealing time

NASA Astrophysics Data System (ADS)

Zhang, C.; Yuan, H.; Zhang, N.; Xu, L. X.; Li, B.; Cheng, G. D.; Wang, Y.; Gui, Q.; Fang, J. C.

2017-12-01

Negatively charged nitrogen-vacancy (NV-) center ensembles in diamond have proved to have great potential for use in highly sensitive, small-package solid-state quantum sensors. One way to improve sensitivity is to produce a high-density NV- center ensemble on a large scale with a long coherence lifetime. In this work, the NV- center ensemble is prepared in type-Ib diamond using high energy electron irradiation and annealing, and the transverse relaxation time of the ensemble—T 2—was systematically investigated as a function of the irradiation electron dose and annealing time. Dynamical decoupling sequences were used to characterize T 2. To overcome the problem of low signal-to-noise ratio in T 2 measurement, a coupled strip lines waveguide was used to synchronously manipulate NV- centers along three directions to improve fluorescence signal contrast. Finally, NV- center ensembles with a high concentration of roughly 1015 mm-3 were manipulated within a ~10 µs coherence time. By applying a multi-coupled strip-lines waveguide to improve the effective volume of the diamond, a sub-femtotesla sensitivity for AC field magnetometry can be achieved. The long-coherence high-density large-scale NV- center ensemble in diamond means that types of room-temperature micro-sized solid-state quantum sensors with ultra-high sensitivity can be further developed in the near future.

Length and Dimensional Measurements at NIST

PubMed Central

Swyt, Dennis A.

2001-01-01

This paper discusses the past, present, and future of length and dimensional measurements at NIST. It covers the evolution of the SI unit of length through its three definitions and the evolution of NBS-NIST dimensional measurement from early linescales and gage blocks to a future of atom-based dimensional standards. Current capabilities include dimensional measurements over a range of fourteen orders of magnitude. Uncertainties of measurements on different types of material artifacts range down to 7×10−8 m at 1 m and 8 picometers (pm) at 300 pm. Current work deals with a broad range of areas of dimensional metrology. These include: large-scale coordinate systems; complex form; microform; surface finish; two-dimensional grids; optical, scanning-electron, atomic-force, and scanning-tunneling microscopies; atomic-scale displacement; and atom-based artifacts. PMID:27500015

Atomic-scale planarization of 4H-SiC (0001) by combination of thermal oxidation and abrasive polishing

NASA Astrophysics Data System (ADS)

Deng, Hui; Endo, Katsuyoshi; Yamamura, Kazuya

2013-09-01

Thermal oxidation (TO) and abrasive polishing were combined for atomic-scale planarization of 4H-SiC. It was found that the oxide/SiC interface was atomically flat regardless of the thickness of the oxide. The specimen prepared by TO was dipped in HF solution to remove the oxide. However, owing to the residual silicon oxycarbide (Si-C-O), the step/terrace structure of 4H-SiC could not be observed. Nanoindentation tests revealed that the hardness of Si-C-O was much lower than that of SiC. A thermally oxidized SiC surface was polished using CeO2 abrasives, which resulted in an atomically flat surface with a well-ordered two-bilayer step/terrace structure.

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.

xGASS: total cold gas scaling relations and molecular-to-atomic gas ratios of galaxies in the local Universe

NASA Astrophysics Data System (ADS)

Catinella, Barbara; Saintonge, Amélie; Janowiecki, Steven; Cortese, Luca; Davé, Romeel; Lemonias, Jenna J.; Cooper, Andrew P.; Schiminovich, David; Hummels, Cameron B.; Fabello, Silvia; Geréb, Katinka; Kilborn, Virginia; Wang, Jing

2018-05-01

We present the extended GALEX Arecibo SDSS Survey (xGASS), a gas fraction-limited census of the atomic hydrogen (H I) gas content of 1179 galaxies selected only by stellar mass (M⋆ = 109-1011.5 M⊙) and redshift (0.01 < z < 0.05). This includes new Arecibo observations of 208 galaxies, for which we release catalogues and H I spectra. In addition to extending the GASS H I scaling relations by one decade in stellar mass, we quantify total (atomic+molecular) cold gas fractions and molecular-to-atomic gas mass ratios, Rmol, for the subset of 477 galaxies observed with the IRAM 30 m telescope. We find that atomic gas fractions keep increasing with decreasing stellar mass, with no sign of a plateau down to log M⋆/M⊙ = 9. Total gas reservoirs remain H I-dominated across our full stellar mass range, hence total gas fraction scaling relations closely resemble atomic ones, but with a scatter that strongly correlates with Rmol, especially at fixed specific star formation rate. On average, Rmol weakly increases with stellar mass and stellar surface density μ⋆, but individual values vary by almost two orders of magnitude at fixed M⋆ or μ⋆. We show that, for galaxies on the star-forming sequence, variations of Rmol are mostly driven by changes of the H I reservoirs, with a clear dependence on μ⋆. Establishing if galaxy mass or structure plays the most important role in regulating the cold gas content of galaxies requires an accurate separation of bulge and disc components for the study of gas scaling relations.

Finite-size scaling analysis in the two-photon Dicke model

NASA Astrophysics Data System (ADS)

Chen, Xiang-You; Zhang, Yu-Yu

2018-05-01

We perform a Schrieffer-Wolff transformation to the two-photon Dicke model by keeping the leading-order correction with a quartic term of the field, which is crucial for finite-size scaling analysis. Besides a spectral collapse as a consequence of two-photon interaction, the super-radiant phase transition is indicated by the vanishing of the excitation energy and the uniform atomic polarization. The scaling functions for the ground-state energy and the atomic pseudospin are derived analytically. The scaling exponents of the observables are the same as those in the standard Dicke model, indicating they are in the same universality class.

Quantum criticality and universal scaling of strongly attractive spin-imbalanced Fermi gases in a one-dimensional harmonic trap

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

Yin Xiangguo; Chen Shu; Guan Xiwen

2011-07-15

We investigate quantum criticality and universal scaling of strongly attractive Fermi gases confined in a one-dimensional harmonic trap. We demonstrate from the power-law scaling of the thermodynamic properties that current experiments on this system are capable of measuring universal features at quantum criticality, such as universal scaling and Tomonaga-Luttinger liquid physics. The results also provide insights on recent measurements of key features of the phase diagram of a spin-imbalanced atomic Fermi gas [Y. Liao et al., Nature (London) 467, 567 (2010)] and point to further study of quantum critical phenomena in ultracold atomic Fermi gases.

LETTER TO THE EDITOR: Quantum manifestations of closed orbits in the photoexcitation scaled spectrum of the hydrogen atom in crossed fields

NASA Astrophysics Data System (ADS)

Rao, Jianguo; Delande, D.; Taylor, K. T.

2001-06-01

The scaled photoexcitation spectrum of the hydrogen atom in crossed electric and magnetic fields has been obtained by means of accurate quantum mechanical calculation using a new algorithm. Closed orbits in the corresponding classical system have also been obtained, using a new, efficient and practical searching procedure. Two new classes of closed orbit have been identified. Fourier transforming each photoexcitation quantum spectrum to yield a plot against scaled action has allowed direct comparison between peaks in such plots and the scaled action values of closed orbits. Excellent agreement has been found with all peaks assigned.

Atom Probe Tomographic Analysis of Biological Systems Enabled by Advanced Specimen Preparation Approaches

NASA Astrophysics Data System (ADS)

Perea, D. E.; Evans, J. E.

2017-12-01

The ability to image biointerfaces over nanometer to micrometer length scales is fundamental to correlating biological composition and structure to physiological function, and is aided by a multimodal approach using advanced complementary microscopic and spectroscopic characterization techniques. Atom Probe Tomography (APT) is a rapidly expanding technique for atomic-scale three-dimensional structural and chemical analysis. However, the regular application of APT to soft biological materials is lacking in large part due to difficulties in specimen preparation and inabilities to yield meaningful tomographic reconstructions that produce atomic scale compositional distributions as no other technique currently can. Here we describe the atomic-scale tomographic analysis of biological materials using APT that is facilitated by an advanced focused ion beam based approach. A novel specimen preparation strategy is used in the analysis of horse spleen ferritin protein embedded in an organic polymer resin which provides chemical contrast to distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell of the ferritin protein. One-dimensional composition profiles directly reveal an enhanced concentration of P and Na at the surface of the ferrihydrite mineral core. We will also describe the development of a unique multifunctional environmental transfer hub allowing controlled cryogenic transfer of specimens under vacuum pressure conditions between an Atom Probe and cryo-FIB/SEM. The utility of the environmental transfer hub is demonstrated through the acquisition of previously unavailable mass spectral analysis of an intact organometallic molecule made possible via controlled cryogenic transfer. The results demonstrate a viable application of APT analysis to study complex biological organic/inorganic interfaces relevant to energy and the environment. References D.E. Perea et al. An environmental transfer hub for multimodal atom probe tomography, Adv. Struct. Chem. Imag, 2017, 3:12 The research was performed at the Environmental Molecular Sciences Laboratory; a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

On time scales and time synchronization using LORAN-C as a time reference signal

NASA Technical Reports Server (NTRS)

Chi, A. R.

1974-01-01

The long term performance of the eight LORAN-C chains is presented in terms of the Coordinated Universal Time (UTC) of the U.S. Naval Observatory (USNO); and the use of the LORAN-C navigation system for maintaining the user's clock to a UTC scale is described. The atomic time scale and the UTC of several national laboratories and observatories relative to the international atomic time are reported. Typical performance of several NASA tracking station clocks, relative to the USNO master clock, is also presented.

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.

Imaging the effects of individual zinc impurity atoms on superconductivity in Bi2Sr2CaCu2O8+delta

PubMed

Pan; Hudson; Lang; Eisaki; Uchida; Davis

2000-02-17

Although the crystal structures of the copper oxide high-temperature superconductors are complex and diverse, they all contain some crystal planes consisting of only copper and oxygen atoms in a square lattice: superconductivity is believed to originate from strongly interacting electrons in these CuO2 planes. Substituting a single impurity atom for a copper atom strongly perturbs the surrounding electronic environment and can therefore be used to probe high-temperature superconductivity at the atomic scale. This has provided the motivation for several experimental and theoretical studies. Scanning tunnelling microscopy (STM) is an ideal technique for the study of such effects at the atomic scale, as it has been used very successfully to probe individual impurity atoms in several other systems. Here we use STM to investigate the effects of individual zinc impurity atoms in the high-temperature superconductor Bi2Sr2CaCu2O8+delta. We find intense quasiparticle scattering resonances at the Zn sites, coincident with strong suppression of superconductivity within approximately 15 A of the scattering sites. Imaging of the spatial dependence of the quasiparticle density of states in the vicinity of the impurity atoms reveals the long-sought four-fold symmetric quasiparticle 'cloud' aligned with the nodes of the d-wave superconducting gap which is believed to characterize superconductivity in these materials.

Chemical Quantification of Atomic-Scale EDS Maps under Thin Specimen Conditions

DOE PAGES

Lu, Ping; Romero, Eric; Lee, Shinbuhm; ...

2014-10-13

We report our effort to quantify atomic-scale chemical maps obtained by collecting energy-dispersive X-ray spectra (EDS) using scanning transmission electron microscopy (STEM) (STEM-EDS). Under a thin specimen condition and when the EDS scattering potential is localized, the X-ray counts from atomic columns can be properly counted by fitting Gaussian peaks at the atomic columns, and can then be used for site-by-site chemical quantification. The effects of specimen thickness and X-ray energy on the Gaussian peak-width are investigated by using SrTiO 3 (STO) as a model specimen. The relationship between the peak-width and spatial-resolution of an EDS map is also studied.more » Furthermore, the method developed by this work is applied to study a Sm-doped STO thin film and antiphase boundaries present within the STO film. We find that Sm atoms occupy both Sr and Ti sites but preferably the Sr sites, and Sm atoms are relatively depleted at the antiphase boundaries likely due to the effect of strain.« less

General method of solving the Schroedinger equation of atoms and molecules

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

Nakatsuji, Hiroshi

2005-12-15

We propose a general method of solving the Schroedinger equation of atoms and molecules. We first construct the wave function having the exact structure, using the ICI (iterative configuration or complement interaction) method and then optimize the variables involved by the variational principle. Based on the scaled Schroedinger equation and related principles, we can avoid the singularity problem of atoms and molecules and formulate a general method of calculating the exact wave functions in an analytical expansion form. We choose initial function {psi}{sub 0} and scaling g function, and then the ICI method automatically generates the wave function that hasmore » the exact structure by using the Hamiltonian of the system. The Hamiltonian contains all the information of the system. The free ICI method provides a flexible and variationally favorable procedure of constructing the exact wave function. We explain the computational procedure of the analytical ICI method routinely performed in our laboratory. Simple examples are given using hydrogen atom for the nuclear singularity case, the Hooke's atom for the electron singularity case, and the helium atom for both cases.« less

Quantum Simulation

NASA Astrophysics Data System (ADS)

Orzel, Chad

2017-06-01

One of the most active areas in atomic, molecular and optical physics is the use of ultracold atomic gases in optical lattices to simulate the behaviour of electrons in condensed matter systems. The larger mass, longer length scale, and tuneable interactions in these systems allow the dynamics of atoms moving in these systems to be followed in real time, and resonant light scattering by the atoms allows this motion to be probed on a microscopic scale using site-resolved imaging. This book reviews the physics of Hubbard-type models for both bosons and fermions in an optical lattice, which give rise to a rich variety of insulating and conducting phases depending on the lattice properties and interparticle interactions. It also discusses the effect of disorder on the transport of atoms in these models, and the recently discovered phenomenon of many-body localization. It presents several examples of experiments using both density and momentum imaging and quantum gas microscopy to study the motion of atoms in optical lattices. These illustrate the power and flexibility of ultracold-lattice analogues for exploring exotic states of matter at an unprecedented level of precision.

A simple scaling law for the equation of state and the radial distribution functions calculated by density-functional theory molecular dynamics

NASA Astrophysics Data System (ADS)

Danel, J.-F.; Kazandjian, L.

2018-06-01

It is shown that the equation of state (EOS) and the radial distribution functions obtained by density-functional theory molecular dynamics (DFT-MD) obey a simple scaling law. At given temperature, the thermodynamic properties and the radial distribution functions given by a DFT-MD simulation remain unchanged if the mole fractions of nuclei of given charge and the average volume per atom remain unchanged. A practical interest of this scaling law is to obtain an EOS table for a fluid from that already obtained for another fluid if it has the right characteristics. Another practical interest of this result is that an asymmetric mixture made up of light and heavy atoms requiring very different time steps can be replaced by a mixture of atoms of equal mass, which facilitates the exploration of the configuration space in a DFT-MD simulation. The scaling law is illustrated by numerical results.

Analysis of the effects of atomic mass, jet velocity, and radiative cooling on the dimensionless parameters of counter-propagating, weakly collisional plasma flows

NASA Astrophysics Data System (ADS)

Collins, Gilbert; Valenzuela, Julio; Beg, Farhat

2016-10-01

We have studied the collision of counter-propagating plasma flows using opposing conical wire arrays driven by the 200kA, 150ns rise-time `GenASIS' driver. These plasma flows produced weakly collisional, well-defined bow-shock structures. Varying initial parameters such as the opening angle of the array and the atomic mass of the wires allowed us to modify quantities such as the density contrast between jets, intra-jet mean free path (λmfp, scales with v, atomic mass A, and ionization state Zi-4) , Reynolds number (Re, scales with AZ), and the Peclet number (Pe, scales with Z). We calculate these dimensionless quantities using schlieren imagery, interferometry, and emission data, and determine whether they meet the scaling criteria necessary for the comparison to and subsequent study of astrophysical plasmas. This work was partially supported by the Department of Energy Grant Number DE-SC0014493.

Assessing implicit models for nonpolar mean solvation forces: The importance of dispersion and volume terms

PubMed Central

Wagoner, Jason A.; Baker, Nathan A.

2006-01-01

Continuum solvation models provide appealing alternatives to explicit solvent methods because of their ability to reproduce solvation effects while alleviating the need for expensive sampling. Our previous work has demonstrated that Poisson-Boltzmann methods are capable of faithfully reproducing polar explicit solvent forces for dilute protein systems; however, the popular solvent-accessible surface area model was shown to be incapable of accurately describing nonpolar solvation forces at atomic-length scales. Therefore, alternate continuum methods are needed to reproduce nonpolar interactions at the atomic scale. In the present work, we address this issue by supplementing the solvent-accessible surface area model with additional volume and dispersion integral terms suggested by scaled particle models and Weeks–Chandler–Andersen theory, respectively. This more complete nonpolar implicit solvent model shows very good agreement with explicit solvent results and suggests that, although often overlooked, the inclusion of appropriate dispersion and volume terms are essential for an accurate implicit solvent description of atomic-scale nonpolar forces. PMID:16709675

A new scale of electronegativity based on electrophilicity index.

PubMed

Noorizadeh, Siamak; Shakerzadeh, Ehsan

2008-04-17

By calculating the energies of neutral and different ionic forms (M2+, M+, M, M-, and M2-) of 32 elements (using B3LYP/6-311++G** level of theory) and taking energy (E) to be a Morse-like function of the number of electrons (N), the electrophilicity values (omega) are calculated for these atoms. The obtained electrophilicities show a good linearity with some commonly used electronegativity scales such as Pauling and Allred-Rochow. Using these electrophilicities, the ionicities of some diatomic molecules are calculated, which are in good agreement with the experimental data. Therefore, these electrophilicities are introduced as a new scale for atomic electronegativity, chi(omega)0. The same procedure is also performed for some simple polyatomic molecules. It is shown that the new scale successfully obeys Sanderson's electronegativity equalization principle and for those molecules which have the same number of atoms, the ratio of the change in electronegativity during the formation of a molecule from its elements to the molecular electronegativity (Delta chi/chi omega) is the same.

Superconducting ferecrystals: turbostratically disordered atomic-scale layered (PbSe)1.14(NbSe2)n thin films.

PubMed

Grosse, Corinna; Alemayehu, Matti B; Falmbigl, Matthias; Mogilatenko, Anna; Chiatti, Olivio; Johnson, David C; Fischer, Saskia F

2016-09-16

Hybrid electronic heterostructure films of semi- and superconducting layers possess very different properties from their bulk counterparts. Here, we demonstrate superconductivity in ferecrystals: turbostratically disordered atomic-scale layered structures of single-, bi- and trilayers of NbSe2 separated by PbSe layers. The turbostratic (orientation) disorder between individual layers does not destroy superconductivity. Our method of fabricating artificial sequences of atomic-scale 2D layers, structurally independent of their neighbours in the growth direction, opens up new possibilities of stacking arbitrary numbers of hybrid layers which are not available otherwise, because epitaxial strain is avoided. The observation of superconductivity and systematic Tc changes with nanostructure make this synthesis approach of particular interest for realizing hybrid systems in the search of 2D superconductivity and the design of novel electronic heterostructures.

Geological-geophysical techniques applied to urban planning in karst hazardous areas. Case study of Zaragoza, NE Spain

NASA Astrophysics Data System (ADS)

Pueyo Anchuela, O.; Soriano, A.; Casas Sainz, A.; Pocoví Juan, A.

2009-12-01

Industrial and urban growth must deal in some settings with geological hazards. In the last 50 years, the city of Zaragoza (NE Spain) has developed an increase of its urbanized area in a progression several orders higher than expected from its population increase. This fast growth has affected several areas around the city that were not usually used for construction. Maps of the Zaragoza city area at the end of the XIXth century and beginning of the XXth reveal the presence of karst hazards in several zones that can be observed in more modern data, as aerial photographs taken during a period ranging from 1927 to present. The urban and industrial development has covered many of these hazardous zones, even though potential risks were known. The origins of the karst problems are related to the solution of evaporites (mainly gypsum, glauberite and halite) that represent the Miocene substratum of the Zaragoza area underlying the Quaternary terraces and pediments related to the Ebro River and its tributaries. Historical data show the persistence of subsidence foci during long periods of time while in recent urbanized areas this stability is not shared, observing the increase of activity and/or radius affection in short periods of time after building over. These problems can be related to two factors: i) urban development over hazardous areas can increase the karst activity and ii) the affection radius is not properly established with the commonly applied methods. One way to develop these detailed maps can be related to the geophysical approach. The applied geophysical routine, dependent on the characteristics of the surveyed area, is based on potential geophysical techniques (magnetometry and gravimetry) and others related to the application of induced fields (EM and GPR). The obtained results can be related to more straightforward criteria as the detection of cavities in the subsoil and indirect indicators related to the long-term activity of the subsidence areas (changes in the filling of the subsidence area, changes in the position of the substratum or processes inferred from geometrical changes from the surveyed materials). In open field, techniques as magnetometry and EM radiation can be a very fast survey methodology and GPR and microgravimetry can be applied to inhomogeneous identified zones. In urban settings GPR must be applied first, followed by gravimetry in the inhomogeneous zones. Some hazardous areas can be unnoticed from the sole application of aerial photography or historical cartographies whereas when used together with multidisciplinar geophysical surveys, they can be sensitive to the different karst hazards features. The presented routine can permit the urban planning development at regional and local scale or the engineering and architectural building development at more local scale.

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

Quantitative characterization of the atomic-scale structure of oxyhydroxides in rusts formed on steel surfaces

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

Saito, M.; Suzuki, S.; Kimura, M.

Quantitative X-ray structural analysis coupled with anomalous X-ray scattering has been used for characterizing the atomic-scale structure of rust formed on steel surfaces. Samples were prepared from rust layers formed on the surfaces of two commercial steels. X-ray scattered intensity profiles of the two samples showed that the rusts consisted mainly of two types of ferric oxyhydroxide, {alpha}-FeOOH and {gamma}-FeOOH. The amounts of these rust components and the realistic atomic arrangements in the components were estimated by fitting both the ordinary and the environmental interference functions with a model structure calculated using the reverse Monte Carlo simulation technique. The twomore » rust components were found to be the network structure formed by FeO{sub 6} octahedral units, the network structure itself deviating from the ideal case. The present results also suggest that the structural analysis method using anomalous X-ray scattering and the reverse Monte Carlo technique is very successful in determining the atomic-scale structure of rusts formed on the steel surfaces.« less

Modeling elasticity in crystal growth.

PubMed

Elder, K R; Katakowski, Mark; Haataja, Mikko; Grant, Martin

2002-06-17

A new model of crystal growth is presented that describes the phenomena on atomic length and diffusive time scales. The former incorporates elastic and plastic deformation in a natural manner, and the latter enables access to time scales much larger than conventional atomic methods. The model is shown to be consistent with the predictions of Read and Shockley for grain boundary energy, and Matthews and Blakeslee for misfit dislocations in epitaxial growth.

Array Receivers and Sound Sources for Three Dimensional Shallow Water Acoustic Field Experiments

DTIC Science & Technology

2016-12-06

upgrade included improving the SHRU clocks by utilizing chip- scale atomic clocks (CSAC), enlarging battery packs to extend the operation duration, and...instrument upgrade included improving the SHRU clocks by utilizing chip-scale atomic clocks (CSAC), enlarging battery packs to extend the operation...Changing the deployment configuration to use dual pressure housings to augment the alkaline primary battery payload to achieve the one-year duration

Exploring the Ability of a Coarse-grained Potential to Describe the Stress-strain Response of Glassy Polystyrene

DTIC Science & Technology

2012-10-01

using the open-source code Large-scale Atomic/Molecular Massively Parallel Simulator ( LAMMPS ) (http://lammps.sandia.gov) (23). The commercial...parameters are proprietary and cannot be ported to the LAMMPS 4 simulation code. In our molecular dynamics simulations at the atomistic resolution, we...IBI iterative Boltzmann inversion LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator MAPS Materials Processes and Simulations MS

Escherichia coli peptidoglycan structure and mechanics as predicted by atomic-scale simulations.

PubMed

Gumbart, James C; Beeby, Morgan; Jensen, Grant J; Roux, Benoît

2014-02-01

Bacteria face the challenging requirement to maintain their shape and avoid rupture due to the high internal turgor pressure, but simultaneously permit the import and export of nutrients, chemical signals, and virulence factors. The bacterial cell wall, a mesh-like structure composed of cross-linked strands of peptidoglycan, fulfills both needs by being semi-rigid, yet sufficiently porous to allow diffusion through it. How the mechanical properties of the cell wall are determined by the molecular features and the spatial arrangement of the relatively thin strands in the larger cellular-scale structure is not known. To examine this issue, we have developed and simulated atomic-scale models of Escherichia coli cell walls in a disordered circumferential arrangement. The cell-wall models are found to possess an anisotropic elasticity, as known experimentally, arising from the orthogonal orientation of the glycan strands and of the peptide cross-links. Other features such as thickness, pore size, and disorder are also found to generally agree with experiments, further supporting the disordered circumferential model of peptidoglycan. The validated constructs illustrate how mesoscopic structure and behavior emerge naturally from the underlying atomic-scale properties and, furthermore, demonstrate the ability of all-atom simulations to reproduce a range of macroscopic observables for extended polymer meshes.

Local Structures of High-Entropy Alloys (HEAs) on Atomic Scales: An Overview

DOE PAGES

Diao, Haoyan; Santodonato, Louis J.; Tang, Zhi; ...

2015-08-29

The high-entropy alloys (HEAs), containing several elements mixed in equimolar or near-equimolar ratios, have shown exceptional engineering properties. Local structures on atomic level are essential to understand the mechanical behaviors and related mechanisms. In this paper, the local structure and stress on the atomic level are reviewed by the pair-distribution function (PDF) of neutron-diffraction data, ab-initio-molecular-dynamics (AIMD) simulations, and atomic-probe microscopy (APT).

Estimation of chirp rates of music-adapted prolate spheroidal atoms using reassignment

NASA Astrophysics Data System (ADS)

Mesz, Bruno; Serrano, Eduardo

2007-09-01

We introduce a modified Matching Pursuit algorithm for estimating frequency and frequency slope of FM-modulated music signals. The use of Matching Pursuit with constant frequency atoms provides coarse estimates which could be improved with chirped atoms, more suited in principle to this kind of signals. Application of the reassignment method is suggested by its good localization properties for chirps. We start considering a family of atoms generated by modulation and scaling of a prolate spheroidal wave function. These functions are concentrated in frequency on intervals of a semitone centered at the frequencies of the well-tempered scale. At each stage of the pursuit, we search the atom most correlated with the signal. We then consider the spectral peaks at each frame of the spectrogram and calculate a modified frequency and frequency slope using the derivatives of the reassignment operators; this is then used to estimate the parameters of a cubic interpolation polynomial that models local pitch fluctuations. We apply the method both to synthetic and music signals.

Design of high-activity single-atom catalysts via n-p codoping

NASA Astrophysics Data System (ADS)

Wang, Xiaonan; Zhou, Haiyan; Zhang, Xiaoyang; Jia, Jianfeng; Wu, Haishun

2018-03-01

The large-scale synthesis of stable single-atom catalysts (SACs) in experiments remains a significant challenge due to high surface free energy of metal atom. Here, we propose a concise n-p codoping approach, and find it can not only disperse the relatively inexpensive metal, copper (Cu), onto boron (B)-doped graphene, but also result in high-activity SACs. We use CO oxidation on B/Cu codoped graphene as a prototype example, and demonstrate that: (1) a stable SAC can be formed by stronger electrostatic attraction between the metal atom (n-type Cu) and support (p-type B-doped graphene). (2) the energy barrier of the prototype CO oxidation on B/Cu codoped graphene is 0.536 eV by the Eley-Rideal mechanism. Further analysis shows that the spin selection rule can provide well theoretical insight into high activity of our suggested SAC. The concept of n-p codoping may lead to new strategy in large-scale synthesis of stable single-atom catalysts.

Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors

PubMed Central

Thorwart, Michael

2018-01-01

Realizing Majorana bound states (MBS) in condensed matter systems is a key challenge on the way toward topological quantum computing. As a promising platform, one-dimensional magnetic chains on conventional superconductors were theoretically predicted to host MBS at the chain ends. We demonstrate a novel approach to design of model-type atomic-scale systems for studying MBS using single-atom manipulation techniques. Our artificially constructed atomic Fe chains on a Re surface exhibit spin spiral states and a remarkable enhancement of the local density of states at zero energy being strongly localized at the chain ends. Moreover, the zero-energy modes at the chain ends are shown to emerge and become stabilized with increasing chain length. Tight-binding model calculations based on parameters obtained from ab initio calculations corroborate that the system resides in the topological phase. Our work opens new pathways to design MBS in atomic-scale hybrid structures as a basis for fault-tolerant topological quantum computing. PMID:29756034

Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors.

PubMed

Kim, Howon; Palacio-Morales, Alexandra; Posske, Thore; Rózsa, Levente; Palotás, Krisztián; Szunyogh, László; Thorwart, Michael; Wiesendanger, Roland

2018-05-01

Realizing Majorana bound states (MBS) in condensed matter systems is a key challenge on the way toward topological quantum computing. As a promising platform, one-dimensional magnetic chains on conventional superconductors were theoretically predicted to host MBS at the chain ends. We demonstrate a novel approach to design of model-type atomic-scale systems for studying MBS using single-atom manipulation techniques. Our artificially constructed atomic Fe chains on a Re surface exhibit spin spiral states and a remarkable enhancement of the local density of states at zero energy being strongly localized at the chain ends. Moreover, the zero-energy modes at the chain ends are shown to emerge and become stabilized with increasing chain length. Tight-binding model calculations based on parameters obtained from ab initio calculations corroborate that the system resides in the topological phase. Our work opens new pathways to design MBS in atomic-scale hybrid structures as a basis for fault-tolerant topological quantum computing.

Atomic Layer Engineering of High-κ Ferroelectricity in 2D Perovskites.

PubMed

Li, Bao-Wen; Osada, Minoru; Kim, Yoon-Hyun; Ebina, Yasuo; Akatsuka, Kosho; Sasaki, Takayoshi

2017-08-09

Complex perovskite oxides offer tremendous potential for controlling their rich variety of electronic properties, including high-T C superconductivity, high-κ ferroelectricity, and quantum magnetism. Atomic-scale control of these intriguing properties in ultrathin perovskites is an important challenge for exploring new physics and device functionality at atomic dimensions. Here, we demonstrate atomic-scale engineering of dielectric responses using two-dimensional (2D) homologous perovskite nanosheets (Ca 2 Na m-3 Nb m O 3m+1 ; m = 3-6). In this homologous 2D material, the thickness of the perovskite layers can be incrementally controlled by changing m, and such atomic layer engineering enhances the high-κ dielectric response and local ferroelectric instability. The end member (m = 6) attains a high dielectric constant of ∼470, which is the highest among all known dielectrics in the ultrathin region (<10 nm). These results provide a new strategy for achieving high-κ ferroelectrics for use in ultrascaled high-density capacitors and post-graphene technology.

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

Chemical mapping and quantification at the atomic scale by scanning transmission electron microscopy.

PubMed

Chu, Ming-Wen; Chen, Cheng Hsuan

2013-06-25

With innovative modern material-growth methods, a broad spectrum of fascinating materials with reduced dimensions-ranging from single-atom catalysts, nanoplasmonic and nanophotonic materials to two-dimensional heterostructural interfaces-is continually emerging and extending the new frontiers of materials research. A persistent central challenge in this grand scientific context has been the detailed characterization of the individual objects in these materials with the highest spatial resolution, a problem prompting the need for experimental techniques that integrate both microscopic and spectroscopic capabilities. To date, several representative microscopy-spectroscopy combinations have become available, such as scanning tunneling microscopy, tip-enhanced scanning optical microscopy, atom probe tomography, scanning transmission X-ray microscopy, and scanning transmission electron microscopy (STEM). Among these tools, STEM boasts unique chemical and electronic sensitivity at unparalleled resolution. In this Perspective, we elucidate the advances in STEM and chemical mapping applications at the atomic scale by energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy with a focus on the ultimate challenge of chemical quantification with atomic accuracy.

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 intercalation to measure adhesion of graphene on graphite

PubMed Central

Wang, Jun; Sorescu, Dan C.; Jeon, Seokmin; Belianinov, Alexei; Kalinin, Sergei V.; Baddorf, Arthur P.; Maksymovych, Petro

2016-01-01

The interest in mechanical properties of two-dimensional materials has emerged in light of new device concepts taking advantage of flexing, adhesion and friction. Here we demonstrate an effective method to measure adhesion of graphene atop highly ordered pyrolytic graphite, utilizing atomic-scale ‘blisters' created in the top layer by neon atom intercalates. Detailed analysis of scanning tunnelling microscopy images is used to reconstruct atomic positions and the strain map within the deformed graphene layer, and demonstrate the tip-induced subsurface translation of neon atoms. We invoke an analytical model, originally devised for graphene macroscopic deformations, to determine the graphite adhesion energy of 0.221±0.011 J m−2. This value is in excellent agreement with reported macroscopic values and our atomistic simulations. This implies mechanical properties of graphene scale down to a few-nanometre length. The simplicity of our method provides a unique opportunity to investigate the local variability of nanomechanical properties in layered materials. PMID:27796294

Predicting Atomic Decay Rates Using an Informational-Entropic Approach

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Jiang, Nan

2018-06-01

We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

Predicting Atomic Decay Rates Using an Informational-Entropic Approach

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Jiang, Nan

2018-02-01

We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

The future of computing

NASA Astrophysics Data System (ADS)

Simmons, Michelle

2016-05-01

Down-scaling has been the leading paradigm of the semiconductor industry since the invention of the first transistor in 1947. However miniaturization will soon reach the ultimate limit, set by the discreteness of matter, leading to intensified research in alternative approaches for creating logic devices. This talk will discuss the development of a radical new technology for creating atomic-scale devices which is opening a new frontier of research in electronics globally. We will introduce single atom transistors where we can measure both the charge and spin of individual dopants with unique capabilities in controlling the quantum world. To this end, we will discuss how we are now demonstrating atom by atom, the best way to build a quantum computer - a new type of computer that exploits the laws of physics at very small dimensions in order to provide an exponential speed up in computational processing power.

Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts

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

Devaraj, Arun; Vijayakumar, Murugesan; Bao, Jie

The nanoscale compositional mapping of fresh HZSM-5 catalyst synthesized using hydrothermal process as well as after just steaming and after ethanol conversion reaction for 72 hours at realistic catalytic conditions was investigated using atom probe tomography. Atom probe tomography permitted direct atomic scale imaging of non-uniform distribution of Al within the HZSM-5 as well as for the first time image the hydrocarbon coking after ethanol reaction. Clear evidences for existence of multiple C-H molecular species which appear to aggregate as clusters within the pores of spent HZSM-5 catalyst materials is provided. These results provide evidence for the ability of atommore » probe tomography, a powerful 3D characterization tool in interrogating the atomic scale chemistry of zeolite catalyst materials at industrially relevant catalytic conditions.« less

Detecting magnetic ordering with atomic size electron probes

DOE PAGES

Idrobo, Juan Carlos; Rusz, Ján; Spiegelberg, Jakob; ...

2016-05-27

While magnetism originates at the atomic scale, the existing spectroscopic techniques sensitive to magnetic signals only produce spectra with spatial resolution on a larger scale. However, recently, it has been theoretically argued that atomic size electron probes with customized phase distributions can detect magnetic circular dichroism. Here, we report a direct experimental real-space detection of magnetic circular dichroism in aberration-corrected scanning transmission electron microscopy (STEM). Using an atomic size-aberrated electron probe with a customized phase distribution, we reveal the checkerboard antiferromagnetic ordering of Mn moments in LaMnAsO by observing a dichroic signal in the Mn L-edge. The novel experimental setupmore » presented here, which can easily be implemented in aberration-corrected STEM, opens new paths for probing dichroic signals in materials with unprecedented spatial resolution.« less

Direct evidence of atomic-scale structural fluctuations in catalyst nanoparticles.

PubMed

Lin, Pin Ann; Gomez-Ballesteros, Jose L; Burgos, Juan C; Balbuena, Perla B; Natarajan, Bharath; Sharma, Renu

2017-05-01

Rational catalyst design requires an atomic scale mechanistic understanding of the chemical pathways involved in the catalytic process. A heterogeneous catalyst typically works by adsorbing reactants onto its surface, where the energies for specific bonds to dissociate and/or combine with other species (to form desired intermediate or final products) are lower. Here, using the catalytic growth of single-walled carbon nanotubes (SWCNTs) as a prototype reaction, we show that the chemical pathway may in-fact involve the entire catalyst particle, and can proceed via the fluctuations in the formation and decomposition of metastable phases in the particle interior. We record in situ and at atomic resolution, the dynamic phase transformations occurring in a Cobalt catalyst nanoparticle during SWCNT growth, using a state-of-the-art environmental transmission electron microscope (ETEM). The fluctuations in catalyst carbon content are quantified by the automated, atomic-scale structural analysis of the time-resolved ETEM images and correlated with the SWCNT growth rate. We find the fluctuations in the carbon concentration in the catalyst nanoparticle and the fluctuations in nanotube growth rates to be of complementary character. These findings are successfully explained by reactive molecular dynamics (RMD) simulations that track the spatial and temporal evolution of the distribution of carbon atoms within and on the surface of the catalyst particle. We anticipate that our approach combining real-time, atomic-resolution image analysis and molecular dynamics simulations will facilitate catalyst design, improving reaction efficiencies and selectivity towards the growth of desired structure.

An Analysis of Wind Power Development in the Town of Hull, MA_Appendix 4_Geophysical Survey Report

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

Adams, Christopher

2013-06-30

CR Environmental, Inc. (CR) was contracted by GZA GeoEnvironmental, Inc. (GZA) to perform hydrographic and geophysical surveys of an approximately 3.35 square mile area off the eastern shore of Hull, Massachusetts. Survey components included: • Single-beam bathymetry; • 100-kHz and 500-kHz side scan sonar; • Magnetometry; and • Low to mid-frequency sub-bottom profiling.

Sensing and Timekeeping Using A Light Trapping

DTIC Science & Technology

2017-06-01

bioassays, condensed matter physics, mate- rial science, biothermometry, bulk magnetometry for surveying, and hyper -polarized media for NMR. 1.3.2...obtained under continuous-wave (CW) microwave field excitation when a 3 mm diameter loop of 200 µm-diameter wire is placed 5 mm above the LTDW. An...frequency-locking technique was also developed to monitor both resonances simultaneously. A closed- loop system that locks to the center frequency of

Dynamical sensitivity control of a single-spin quantum sensor.

PubMed

Lazariev, Andrii; Arroyo-Camejo, Silvia; Rahane, Ganesh; Kavatamane, Vinaya Kumar; Balasubramanian, Gopalakrishnan

2017-07-26

The Nitrogen-Vacancy (NV) defect in diamond is a unique quantum system that offers precision sensing of nanoscale physical quantities at room temperature beyond the current state-of-the-art. The benchmark parameters for nanoscale magnetometry applications are sensitivity, spectral resolution, and dynamic range. Under realistic conditions the NV sensors controlled by conventional sensing schemes suffer from limitations of these parameters. Here we experimentally show a new method called dynamical sensitivity control (DYSCO) that boost the benchmark parameters and thus extends the practical applicability of the NV spin for nanoscale sensing. In contrast to conventional dynamical decoupling schemes, where π pulse trains toggle the spin precession abruptly, the DYSCO method allows for a smooth, analog modulation of the quantum probe's sensitivity. Our method decouples frequency selectivity and spectral resolution unconstrained over the bandwidth (1.85 MHz-392 Hz in our experiments). Using DYSCO we demonstrate high-accuracy NV magnetometry without |2π| ambiguities, an enhancement of the dynamic range by a factor of 4 · 10 3 , and interrogation times exceeding 2 ms in off-the-shelf diamond. In a broader perspective the DYSCO method provides a handle on the inherent dynamics of quantum systems offering decisive advantages for NV centre based applications notably in quantum information and single molecule NMR/MRI.

Trace element content and magnetic properties of commercial HOPG samples studied by ion beam microscopy and SQUID magnetometry

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

Spemann, D., E-mail: spemann@uni-leipzig.de; Esquinazi, P., E-mail: esquin@physik.uni-leipzig.de; Setzer, A.

In this study, the impurity concentration and magnetic response of nine highly oriented pyrolytic graphite (HOPG) samples with different grades and from different providers were determined using ion beam microscopy and SQUID magnetometry. Apart from sideface contaminations in the as-received state, bulk contamination of the samples in most cases consists of disk-shaped micron-sized particles made of Ti and V with an additional Fe contamination around the grain perimeter. The saturation magnetization typically increases with Fe concentration, however, there is no simple correlation between Fe content and magnetic moment. The saturation magnetization of one, respectively six, out of nine samples clearlymore » exceeds the maximum contribution from pure Fe or Fe{sub 3}C. For most samples the temperature dependence of the remanence decreases linearly with T – a dependence found previously for defect-induced magnetism (DIM) in HOPG. We conclude that apart from magnetic impurities, additional contribution to the ferromagnetic magnetization exists in pristine HOPG in agreement with previous studies. A comparative study between the results of ion beam microscopy and the commonly used EDX analysis shows clearly that EDX is not a reliable method for quantitative trace elemental analysis in graphite, clarifying weaknesses and discrepancies in the element concentrations given in the recent literature.« less

Direct observation of temperature-driven magnetic symmetry transitions by vectorial resolved MOKE magnetometry

NASA Astrophysics Data System (ADS)

Cuñado, Jose Luis F.; Pedrosa, Javier; Ajejas, Fernando; Perna, Paolo; Miranda, Rodolfo; Camarero, Julio

2017-10-01

Angle- and temperature-dependent vectorial magnetometry measurements are necessary to disentangle the effective magnetic symmetry in magnetic nanostructures. Here we present a detailed study on an Fe(1 0 0) thin film system with competing collinear biaxial (four-fold symmetry) and uniaxial (two-fold) magnetic anisotropies, carried out with our recently developed full angular/broad temperature range/vectorial-resolved magneto-optical Kerr effect magnetometer, named TRISTAN. The data give direct views on the angular and temperature dependence of the magnetization reversal pathways, from which characteristic axes, remanences, critical fields, domain wall types, and effective magnetic symmetry are obtained. In particular, although the remanence shows four-fold angular symmetry for all investigated temperatures (15 K-400 K), the critical fields show strong temperature and angular dependencies and the reversal mechanism changes for specific angles at a given (angle-dependent) critical temperature, showing signatures of an additional collinear two-fold symmetry. This symmetry-breaking is more relevant as temperature increases to room temperature. It originates from the competition between two anisotropy contributions with different symmetry and temperature evolution. The results highlight the importance of combining temperature and angular studies, and the need to look at different magnetic parameters to unravel the underlying magnetic symmetries and temperature evolutions of the symmetry-breaking effects in magnetic nanostructures.

Quantum Control of Spins in Diamond for Nanoscale Magnetic Sensing and Imaging

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

Dutt, Gurudev

Our research activities during the grant period focused on the challenges of highly accurate and precise magnetometry and magnetic imaging using quantum spins inside diamond. Our work has resulted in 6 papers published in peer-reviewed journals, with two more currently under consideration by referees. We showed that through the use of novel phase estimation algorithms inspired by quantum information science we can carry out accurate and high dynamic range DC magnetometry as well as lock-in detection of oscillating (AC) magnetic fields. We investigated the geometric phase as a route to higher precision quantum information and magnetic sensing applications, and probedmore » the experimental limits to the fidelity of such geometric phase gates. We also demonstrated that there is a spin dependent signal in the charge state flipping of the NV defect center in diamond, which could potentialy be useful for higher fidelity spin readout at room temperature. Some of these projects have now led to further investigation in our lab on multi-photon spectroscopy (manuscript in preparation), and plasmonic guiding of light in metal nanowires (manuscript available on arxiv). In addition, several invited talks were given by the PI, and conference presentations were given by the graduate students and postdocs.« less

Tracking the Magnetization Evolution in γ-Fe2O3 / Metallic Fe Core-Shell Nanoparticle Variants

NASA Astrophysics Data System (ADS)

Kons, C.; Nemati, Z.; Srikanth, H.; Phan, M.-H.; Krycka, K.; Borchers, J.; Keavney, D.; Arena, D. A.

Iron-core magnetic nanoparticles (MNPs) with oxide shells exhibit varying magnetic properties due to the different ordering temperatures of the core and shell spins, as well as the coupling across the metal/oxide interface. While spin coupling across two dimensional interfaces has been well explored, less is known about three dimensional interfaces such as those presented in the MNPs. In this work, MNPs were synthesized with a bcc Fe core and γ-Fe2O3 shell and placed in an oxygen rich environment to encourage the transition from cores shell (CS) to core void shell (CVS) to hollow (H) structures. Static magnetic measurements (MvT) and AC magnetometry were performed to explore the magnetic behavior of the various synthesized structures. To further understand the nature of the spin coupling in the MNPs, TEM and conventional magnetometry as well as variable-temperature small angle neutron scattering (SANS), x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) spectroscopy were performed. Modeling of the x-ray spectra and SANS data will enable us to develop a cohesive picture of spin coupling, freezing and frustration along the three-dimensional metal / oxide interface. Supported by Department of Energy award #DE-FG02-07ER46438; NSF Award #DMR-1508249.

Institute for Science and Engineering Simulation (ISES)

DTIC Science & Technology

2015-12-18

performance and other functionalities such as electrical , magnetic, optical, thermal, biological, chemical, and so forth. Structural integrity...transmission electron microscopy (HRSTEM) and three-dimensional atom probe (3DAP) tomography , the true atomic scale structure and change in chemical...atom probe tomography (3DAP) techniques, has permitted characterizing and quantifying the multimodal size distribution of different generations of γ

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

A stochastic thermostat algorithm for coarse-grained thermomechanical modeling of large-scale soft matters: Theory and application to microfilaments

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

Li, Tong; Gu, YuanTong, E-mail: yuantong.gu@qut.edu.au

As all-atom molecular dynamics method is limited by its enormous computational cost, various coarse-grained strategies have been developed to extend the length scale of soft matters in the modeling of mechanical behaviors. However, the classical thermostat algorithm in highly coarse-grained molecular dynamics method would underestimate the thermodynamic behaviors of soft matters (e.g. microfilaments in cells), which can weaken the ability of materials to overcome local energy traps in granular modeling. Based on all-atom molecular dynamics modeling of microfilament fragments (G-actin clusters), a new stochastic thermostat algorithm is developed to retain the representation of thermodynamic properties of microfilaments at extra coarse-grainedmore » level. The accuracy of this stochastic thermostat algorithm is validated by all-atom MD simulation. This new stochastic thermostat algorithm provides an efficient way to investigate the thermomechanical properties of large-scale soft matters.« less

Atomic-scale structure and electronic properties of GaN/GaAs superlattices

NASA Astrophysics Data System (ADS)

Goldman, R. S.; Feenstra, R. M.; Briner, B. G.; O'Steen, M. L.; Hauenstein, R. J.

1996-12-01

We have investigated the atomic-scale structure and electronic properties of GaN/GaAs superlattices produced by nitridation of a molecular beam epitaxially grown GaAs surface. Using cross-sectional scanning tunneling microscopy (STM) and spectroscopy, we show that the nitrided layers are laterally inhomogeneous, consisting of groups of atomic-scale defects and larger clusters. Analysis of x-ray diffraction data in terms of fractional area of clusters (determined by STM), reveals a cluster lattice constant similar to bulk GaN. In addition, tunneling spectroscopy on the defects indicates a conduction band state associated with an acceptor level of NAs in GaAs. Therefore, we identify the clusters and defects as nearly pure GaN and NAs, respectively. Together, the results reveal phase segregation in these arsenide/nitride structures, in agreement with the large miscibility gap predicted for GaAsN.

Maternal attitudes, depression, and anxiety in pregnant and postpartum multiparous women.

PubMed

Sockol, Laura E; Battle, Cynthia L

2015-08-01

The Attitudes Toward Motherhood (AToM) Scale was developed to assess women's beliefs about motherhood, a specific risk factor for emotional distress in perinatal populations. As the measure was initially developed and validated for use among first-time mothers, this study assessed the reliability and validity of the AToM Scale in a sample of multiparous women. Maternal attitudes were significantly associated with symptoms of depression, even after controlling for demographic, cognitive, and interpersonal risk factors. Maternal attitudes were also associated with symptoms of anxiety after controlling for demographic risk factors, but this association was not significant after accounting for cognitive and interpersonal risk factors. Compared to primiparous women from the initial validation study of the AToM Scale, multiparous women reported lower levels of social support and marital satisfaction. The relationships between cognitive and interpersonal risk factors and symptoms of depression and anxiety were comparable between multiparous and primiparous women.

Dangling-bond logic gates on a Si(100)-(2 × 1)-H surface.

PubMed

Kawai, Hiroyo; Ample, Francisco; Wang, Qing; Yeo, Yong Kiat; Saeys, Mark; Joachim, Christian

2012-03-07

Atomic-scale Boolean logic gates (LGs) with two inputs and one output (i.e. OR, NOR, AND, NAND) were designed on a Si(100)-(2 × 1)-H surface and connected to the macroscopic scale by metallic nano-pads physisorbed on the Si(100)-(2 × 1)-H surface. The logic inputs are provided by saturating and unsaturating two surface Si dangling bonds, which can, for example, be achieved by adding and extracting two hydrogen atoms per input. Quantum circuit design rules together with semi-empirical elastic-scattering quantum chemistry transport calculations were used to determine the output current intensity of the proposed switches and LGs when they are interconnected to the metallic nano-pads by surface atomic-scale wires. Our calculations demonstrate that the proposed devices can reach ON/OFF ratios of up to 2000 for a running current in the 10 µA range.

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

The Particle Adventure | Accelerators and Particle Detectors

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

Electric field imaging of single atoms

PubMed Central

Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi

2017-01-01

In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures. PMID:28555629

Phase-locked bifrequency Raman lasing in a double-Λ system

NASA Astrophysics Data System (ADS)

Alaeian, Hadiseh; Shahriar, M. S.

2018-05-01

We show that it is possible to realize simultaneous Raman lasing at two different frequencies using a double-Λ system pumped by a bifrequency field. The bifrequency Raman lasers are phase-locked to one another and the beat-frequency matches the energy difference between the two metastable ground states. Akin to a conventional Raman laser, the bifrequency Raman lasers are expected to be subluminal. As such, these are expected to be highly stable against perturbations in cavity length and have quantum noise limited linewidths that are far below that of a conventional laser. Because of these properties, the bifrequency Raman lasers may find important applications in precision metrology, including atomic interferometry and magnetometry. The phase-locked Raman laser pair also represent a manifestation of lasing without inversion, albeit in a configuration that produces a pair of nondegenerate lasers simultaneously. This feature may enable lasing without inversion in frequency regimes not accessible using previous techniques of lasing without inversion. To elucidate the behavior of this laser pair, we develop an analytical model that describes the stimulated Raman interaction in a double-Λ system using an effective two-level transition. The approximation is valid as long as the excited states adiabatically follow the ground states, as verified by numerical simulations. The effective model is used to identify the optimal operating conditions for the bifrequency Raman lasing process. This model may also prove useful in other potential applications of the double-Λ system, including generation of squeezed light and spatial solitons.

Perpendicular magnetic anisotropy in CoXPd100-X alloys for magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Clark, B. D.; Natarajarathinam, A.; Tadisina, Z. R.; Chen, P. J.; Shull, R. D.; Gupta, S.

2017-08-01

CoFeB/MgO-based perpendicular magnetic tunnel junctions (p-MTJ's) with high anisotropy and low damping are critical for spin-torque transfer random access memory (STT-RAM). Most schemes of making the pinned CoFeB fully perpendicular require ferrimagnets with high damping constants, a high temperature-grown L10 alloy, or an overly complex multilayered synthetic antiferromagnet (SyAF). We report a compositional study of perpendicular CoxPd alloy-pinned Co20Fe60B20/MgO based MTJ stacks, grown at moderate temperatures in a planetary deposition system. The perpendicular anisotropy of the CoxPd alloy films can be tuned based on the layer thickness and composition. The films were characterized by alternating gradient magnetometry (AGM), energy-dispersive X-rays (EDX), and X-ray diffraction (XRD). Current-in-plane tunneling (CIPT) measurements have also been performed on the compositionally varied CoxPd MTJ stacks. The CoxPd alloy becomes fully perpendicular at approximately x = 30% (atomic fraction) Co. Full-film MTJ stacks of Si/SiO2/MgO (13)/CoXPd100-x (50)/Ta (0.3)/CoFeB (1)/MgO (1.6)/CoFeB (1)/Ta (5)/Ru (10), with the numbers enclosed in parentheses being the layer thicknesses in nm, were sputtered onto thermally oxidized silicon substrates and in-situ lamp annealed at 400 °C for 5 min. CIPT measurements indicate that the highest TMR is observed for the CoPd composition with the highest perpendicular magnetic anisotropy.

Perpendicular magnetic anisotropy in granular multilayers of CoPd alloyed nanoparticles

NASA Astrophysics Data System (ADS)

Vivas, L. G.; Rubín, J.; Figueroa, A. I.; Bartolomé, F.; García, L. M.; Deranlot, C.; Petroff, F.; Ruiz, L.; González-Calbet, J. M.; Pascarelli, S.; Brookes, N. B.; Wilhelm, F.; Chorro, M.; Rogalev, A.; Bartolomé, J.

2016-05-01

Co-Pd multilayers obtained by Pd capping of pre-deposited Co nanoparticles on amorphous alumina are systematically studied by means of high-resolution transmission electron microscopy, x-ray diffraction, extended x-ray absorption fine structure, SQUID-based magnetometry, and x-ray magnetic circular dichroism. The films are formed by CoPd alloyed nanoparticles self-organized across the layers, with the interspace between the nanoparticles filled by the non-alloyed Pd metal. The nanoparticles show atomic arrangements compatible with short-range chemical order of L 10 strucure type. The collective magnetic behavior is that of ferromagnetically coupled particles with perpendicular magnetic anisotropy, irrespective of the amount of deposited Pd. For increasing temperature three magnetic phases are identified: hard ferromagnetic with strong coercive field, soft-ferromagnetic as in an amorphous asperomagnet, and superparamagnetic. Increasing the amount of Pd in the system leads to both magnetic hardness increment and higher transition temperatures. Magnetic total moments of 1.77(4) μB and 0.45(4) μB are found at Co and Pd sites, respectively, where the orbital moment of Co, 0.40(2) μB, is high, while that of Pd is negligible. The effective magnetic anisotropy is the largest in the capping metal series (Pd, Pt, W, Cu, Ag, Au), which is attributed to the interparticle interaction between de nanoparticles, in addition to the intraparticle anisotropy arising from hybridization between the 3 d -4 d bands associated to the Co and Pd chemical arrangement in a L 10 structure type.

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.

Solving the nanostructure problem: exemplified on metallic alloy nanoparticles

NASA Astrophysics Data System (ADS)

Petkov, Valeri; Prasai, Binay; Ren, Yang; Shan, Shiyao; Luo, Jin; Joseph, Pharrah; Zhong, Chuan-Jian

2014-08-01

With current technology moving rapidly toward smaller scales nanometer-size materials, hereafter called nanometer-size particles (NPs), are being produced in increasing numbers and explored for various useful applications ranging from photonics and catalysis to detoxification of wastewater and cancer therapy. Nature also is a prolific producer of useful NPs. Evidence can be found in ores on the ocean floor, minerals and soils on land and in the human body that, when water is excluded, is mostly made of proteins that are 6-10 nm in size and globular in shape. Precise knowledge of the 3D atomic-scale structure, that is how atoms are arranged in space, is a crucial prerequisite for understanding and so gaining more control over the properties of any material, including NPs. In the case of bulk materials such knowledge is fairly easy to obtain by Bragg diffraction experiments. Determining the 3D atomic-scale structure of NPs is, however, still problematic spelling trouble for science and technology at the nanoscale. Here we explore this so-called ``nanostructure problem'' from a practical point of view arguing that it can be solved when its technical, that is the inapplicability of Bragg diffraction to NPs, and fundamental, that is the incompatibility of traditional crystallography with NPs, aspects are both addressed properly. As evidence we present a successful and broadly applicable, 6-step approach to determining the 3D atomic-scale structure of NPs based on a suitable combination of a few experimental and computational techniques. This approach is exemplified on 5 nm sized PdxNi100-x particles (x = 26, 56 and 88) explored for catalytic applications. Furthermore, we show how once an NP atomic structure is determined precisely, a strategy for improving NP structure-dependent properties of particular interest to science and technology can be designed rationally and not subjectively as frequently done now.With current technology moving rapidly toward smaller scales nanometer-size materials, hereafter called nanometer-size particles (NPs), are being produced in increasing numbers and explored for various useful applications ranging from photonics and catalysis to detoxification of wastewater and cancer therapy. Nature also is a prolific producer of useful NPs. Evidence can be found in ores on the ocean floor, minerals and soils on land and in the human body that, when water is excluded, is mostly made of proteins that are 6-10 nm in size and globular in shape. Precise knowledge of the 3D atomic-scale structure, that is how atoms are arranged in space, is a crucial prerequisite for understanding and so gaining more control over the properties of any material, including NPs. In the case of bulk materials such knowledge is fairly easy to obtain by Bragg diffraction experiments. Determining the 3D atomic-scale structure of NPs is, however, still problematic spelling trouble for science and technology at the nanoscale. Here we explore this so-called ``nanostructure problem'' from a practical point of view arguing that it can be solved when its technical, that is the inapplicability of Bragg diffraction to NPs, and fundamental, that is the incompatibility of traditional crystallography with NPs, aspects are both addressed properly. As evidence we present a successful and broadly applicable, 6-step approach to determining the 3D atomic-scale structure of NPs based on a suitable combination of a few experimental and computational techniques. This approach is exemplified on 5 nm sized PdxNi100-x particles (x = 26, 56 and 88) explored for catalytic applications. Furthermore, we show how once an NP atomic structure is determined precisely, a strategy for improving NP structure-dependent properties of particular interest to science and technology can be designed rationally and not subjectively as frequently done now. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modeling results. See DOI: 10.1039/c4nr01633e

Molecular dynamics simulations of large macromolecular complexes.

PubMed

Perilla, Juan R; Goh, Boon Chong; Cassidy, C Keith; Liu, Bo; Bernardi, Rafael C; Rudack, Till; Yu, Hang; Wu, Zhe; Schulten, Klaus

2015-04-01

Connecting dynamics to structural data from diverse experimental sources, molecular dynamics simulations permit the exploration of biological phenomena in unparalleled detail. Advances in simulations are moving the atomic resolution descriptions of biological systems into the million-to-billion atom regime, in which numerous cell functions reside. In this opinion, we review the progress, driven by large-scale molecular dynamics simulations, in the study of viruses, ribosomes, bioenergetic systems, and other diverse applications. These examples highlight the utility of molecular dynamics simulations in the critical task of relating atomic detail to the function of supramolecular complexes, a task that cannot be achieved by smaller-scale simulations or existing experimental approaches alone. Copyright © 2015 Elsevier Ltd. All rights reserved.

Catalysis on Single Supported Atoms

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

DeBusk, Melanie Moses; Narula, Chaitanya Kumar

2015-01-01

The highly successful application of supported metals as heterogeneous catalysts in automotive catalysts, fuel cells, and other multitudes of industrial processes have led to extensive efforts to understand catalyst behavior at the nano-scale. Recent discovery of simple wet methods to prepare single supported atoms, the smallest nano-catalyst, has allowed for experimental validation of catalytic activity of a variety of catalysts and potential for large scale production for such catalysts for industrial processes. In this chapter, we summarize the synthetic and structural aspects of single supported atoms. We also present proposed mechanisms for the activity of single supported catalysts where conventionalmore » mechanisms cannot operate due to lack of M-M bonds in the catalysts.« less

Observation of the Anderson metal-insulator transition with atomic matter waves: Theory and experiment

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

Lemarie, Gabriel; Delande, Dominique; Chabe, Julien

Using a cold atomic gas exposed to laser pulses - a realization of the chaotic quasiperiodic kicked rotor with three incommensurate frequencies - we study experimentally and theoretically the Anderson metal-insulator transition in three dimensions. Sensitive measurements of the atomic wave function and the use of finite-size scaling techniques make it possible to unambiguously demonstrate the existence of a quantum phase transition and to measure its critical exponents. By taking proper account of systematic corrections to one-parameter scaling, we show the universality of the critical exponent {nu}=1.59{+-}0.01, which is found to be equal to the one previously computed for themore » Anderson model.« less

Applicability of Macroscopic Wear and Friction Laws on the Atomic Length Scale.

PubMed

Eder, S J; Feldbauer, G; Bianchi, D; Cihak-Bayr, U; Betz, G; Vernes, A

2015-07-10

Using molecular dynamics, we simulate the abrasion process of an atomically rough Fe surface with multiple hard abrasive particles. By quantifying the nanoscopic wear depth in a time-resolved fashion, we show that Barwell's macroscopic wear law can be applied at the atomic scale. We find that in this multiasperity contact system, the Bowden-Tabor term, which describes the friction force as a function of the real nanoscopic contact area, can predict the kinetic friction even when wear is involved. From this the Derjaguin-Amontons-Coulomb friction law can be recovered, since we observe a linear dependence of the contact area on the applied load in accordance with Greenwood-Williamson contact mechanics.

Atomic-Scale Origin of Long-Term Stability and High Performance of p-GaN Nanowire Arrays for Photocatalytic Overall Pure Water Splitting.

PubMed

Kibria, Md Golam; Qiao, Ruimin; Yang, Wanli; Boukahil, Idris; Kong, Xianghua; Chowdhury, Faqrul Alam; Trudeau, Michel L; Ji, Wei; Guo, Hong; Himpsel, F J; Vayssieres, Lionel; Mi, Zetian

2016-10-01

The atomic-scale origin of the unusually high performance and long-term stability of wurtzite p-GaN oriented nanowire arrays is revealed. Nitrogen termination of both the polar (0001¯) top face and the nonpolar (101¯0) side faces of the nanowires is essential for long-term stability and high efficiency. Such a distinct atomic configuration ensures not only stability against (photo) oxidation in air and in water/electrolyte but, as importantly, also provides the necessary overall reverse crystal polarization needed for efficient hole extraction in p-GaN. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Visualization of atomic-scale phenomena in superconductors: application to FeSe

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

Choubey, Peayush; Berlijn, Tom; Kreisel, Andreas

Here we propose a simple method of calculating inhomogeneous, atomic-scale phenomena in superconductors which makes use of the wave function information traditionally discarded in the construction of tight-binding models used in the Bogoliubov-de Gennes equations. The method uses symmetry- based first principles Wannier functions to visualize the effects of superconducting pairing on the distribution of electronic states over atoms within a crystal unit cell. Local symmetries lower than the global lattice symmetry can thus be exhibited as well, rendering theoretical comparisons with scanning tunneling spectroscopy data much more useful. As a simple example, we discuss the geometric dimer states observedmore » near defects in superconducting FeSe.« less

Visualization of atomic-scale phenomena in superconductors: application to FeSe

DOE PAGES

Choubey, Peayush; Berlijn, Tom; Kreisel, Andreas; ...

2014-10-31

Here we propose a simple method of calculating inhomogeneous, atomic-scale phenomena in superconductors which makes use of the wave function information traditionally discarded in the construction of tight-binding models used in the Bogoliubov-de Gennes equations. The method uses symmetry- based first principles Wannier functions to visualize the effects of superconducting pairing on the distribution of electronic states over atoms within a crystal unit cell. Local symmetries lower than the global lattice symmetry can thus be exhibited as well, rendering theoretical comparisons with scanning tunneling spectroscopy data much more useful. As a simple example, we discuss the geometric dimer states observedmore » near defects in superconducting FeSe.« less

Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors

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

Levashov, V. A.

2016-03-07

It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids’ structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectorsmore » of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ{sub 1} ≥ λ{sub 2} ≥ λ{sub 3} ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ{sub 2}/λ{sub 1}) and (λ{sub 3}/λ{sub 2}) are essentially identical to each other in the liquids state. We also found that λ{sub 2} tends to be equal to the geometric average of λ{sub 1} and λ{sub 3}. In our view, correlations between the eigenvalues may represent “the Poisson ratio effect” at the atomic scale.« less

Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors.

PubMed

Levashov, V A

2016-03-07

It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids' structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ1 ≥ λ2 ≥ λ3 ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ2/λ1) and (λ3/λ2) are essentially identical to each other in the liquids state. We also found that λ2 tends to be equal to the geometric average of λ1 and λ3. In our view, correlations between the eigenvalues may represent "the Poisson ratio effect" at the atomic scale.

Semi-empirical scaling for ion-atom single charge exchange cross sections in the intermediate velocity regime

NASA Astrophysics Data System (ADS)

Friedman, B.; DuCharme, G.

2017-06-01

We present a semi-empirical scaling law for non-resonant ion-atom single charge exchange cross sections for collisions with velocities from {10}7 {{t}}{{o}} {10}9 {cm} {{{s}}}-1 and ions with positive charge q< 8. Non-resonant cross sections tend to have a velocity peak at collision velocities v≲ 1 {{a}}{{u}} with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, {{Δ }}E, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters {v}{{m}},{I}{{T}},{Z}{{T}},{and} {Z}{{P}}, where the {Z}{{T},{{P}}} are the target and projectile atomic numbers. For the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.

Enhanced Performance of Recycled Aggregate Concrete with Atomic Polymer Technology

DOT National Transportation Integrated Search

2012-06-01

The atomic polymer technology in form of mesoporous inorganic polymer (MIP) can effectively improve material durability and performance of concrete by dramatically increase inter/intragranular bond strength of concrete at nano-scale. The strategy of ...

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

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah A. G.

In this study, we report the atomic-scale analysis of biological interfaces using atom probe tomography. Embedding the protein ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualize atomic distributions and distinguish organic-organic and organic-inorganic interfaces. The sample preparation method can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment.

Resonant Laser Manipulation of an Atomic Beam

DTIC Science & Technology

2010-07-01

similar species such as alkali metals . 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER OF PAGES...resonant laser-atom interaction with other rarefied and collisional solvers for similar species such as alkali metals . Keywords: atomic beam, cesium...a target flow over length scales which push the limits of physical manufacture. The ability to create masks, beam blocks, controlling electric

Scaling of Advanced Theory-of-Mind Tasks.

PubMed

Osterhaus, Christopher; Koerber, Susanne; Sodian, Beate

2016-11-01

Advanced theory-of-mind (AToM) development was investigated in three separate studies involving 82, 466, and 402 elementary school children (8-, 9-, and 10-year-olds). Rasch and factor analyses assessed whether common conceptual development underlies higher-order false-belief understanding, social understanding, emotion recognition, and perspective-taking abilities. The results refuted a unidimensional scale and revealed three distinct AToM factors: social reasoning, reasoning about ambiguity, and recognizing transgressions of social norms. Developmental progressions emerged for the two reasoning factors but not for recognizing transgressions of social norms. Both social factors were significantly related to inhibition, whereas language development only predicted performance on social reasoning. These findings suggest that AToM comprises multiple abilities, which are subject to distinct cognitive influences. Importantly, only two AToM factors involve conceptual development. © 2016 The Authors. Child Development © 2016 Society for Research in Child Development, Inc.

Scaling up the precision in a ytterbium Bose-Einstein condensate interferometer

NASA Astrophysics Data System (ADS)

McAlpine, Katherine; Plotkin-Swing, Benjamin; Gochnauer, Daniel; Saxberg, Brendan; Gupta, Subhadeep

2016-05-01

We report on progress toward a high-precision ytterbium (Yb) Bose-Einstein condensate (BEC) interferometer, with the goal of measuring h/m and thus the fine structure constant α. Here h is Planck's constant and m is the mass of a Yb atom. The use of the non-magnetic Yb atom makes our experiment insensitive to magnetic field noise. Our chosen symmetric 3-path interferometer geometry suppresses errors from vibration, rotation, and acceleration. The precision scales with the phase accrued due to the kinetic energy difference between the interferometer arms, resulting in a quadratic sensitivity to the momentum difference. We are installing and testing the laser pulses for large momentum transfer via Bloch oscillations. We will report on Yb BEC production in a new apparatus and progress toward realizing the atom optical elements for high precision measurements. We will also discuss approaches to mitigate two important systematics: (i) atom interaction effects can be suppressed by creating the BEC in a dynamically shaped optical trap to reduce the density; (ii) diffraction phase effects from the various atom-optical elements can be accounted for through an analysis of the light-atom interaction for each pulse.

Nonlinear Ballistic Transport in an Atomically Thin Material.

PubMed

Boland, Mathias J; Sundararajan, Abhishek; Farrokhi, M Javad; Strachan, Douglas R

2016-01-26

Ultrashort devices that incorporate atomically thin components have the potential to be the smallest electronics. Such extremely scaled atomically thin devices are expected to show ballistic nonlinear behavior that could make them tremendously useful for ultrafast applications. While nonlinear diffusive electron transport has been widely reported, clear evidence for intrinsic nonlinear ballistic transport in the growing array of atomically thin conductors has so far been elusive. Here we report nonlinear electron transport of an ultrashort single-layer graphene channel that shows quantitative agreement with intrinsic ballistic transport. This behavior is shown to be distinctly different than that observed in similarly prepared ultrashort devices consisting, instead, of bilayer graphene channels. These results suggest that the addition of only one extra layer of an atomically thin material can make a significant impact on the nonlinear ballistic behavior of ultrashort devices, which is possibly due to the very different chiral tunneling of their charge carriers. The fact that we observe the nonlinear ballistic response at room temperature, with zero applied magnetic field, in non-ultrahigh vacuum conditions and directly on a readily accessible oxide substrate makes the nanogap technology we utilize of great potential for achieving extremely scaled high-speed atomically thin devices.

Static and Dynamic Electron Microscopy Investigations at the Atomic and Ultrafast Scales

NASA Astrophysics Data System (ADS)

Suri, Pranav Kumar

Advancements in the electron microscopy capabilities - aberration-corrected imaging, monochromatic spectroscopy, direct-electron detectors - have enabled routine visualization of atomic-scale processes with millisecond temporal resolutions in this decade. This, combined with progress in the transmission electron microscopy (TEM) specimen holder technology and nanofabrication techniques, allows comprehensive experiments on a wide range of materials in various phases via in situ methods. The development of ultrafast (sub-nanosecond) time-resolved TEM with ultrafast electron microscopy (UEM) has further pushed the envelope of in situ TEM to sub-nanosecond temporal resolution while maintaining sub-nanometer spatial resolution. A plethora of materials phenomena - including electron-phonon coupling, phonon transport, first-order phase transitions, bond rotation, plasmon dynamics, melting, and dopant atoms arrangement - are not yet clearly understood and could be benefitted with the current in situ TEM capabilities having atomic-level and ultrafast precision. Better understanding of these phenomena and intrinsic material dynamics (e.g. how phonons propagate in a material, what time-scales are involved in a first-order phase transition, how fast a material melts, where dopant atoms sit in a crystal) in new-generation and technologically important materials (e.g. two-dimensional layered materials, semiconductor and magnetic devices, rare-earth-element-free permanent magnets, unconventional superconductors) could bring a paradigm shift in their electronic, structural, magnetic, thermal and optical applications. Present research efforts, employing cutting-edge static and dynamic in situ electron microscopy resources at the University of Minnesota, are directed towards understanding the atomic-scale crystallographic structural transition and phonon transport in an iron-pnictide parent compound LaFeAsO, studying the mechanical stability of fast moving hard-drive heads in heat-assisted magnetic recording (HAMR) technology, exploring the possibility of ductile ceramics in magnesium oxide (MgO) nanomaterials, and revealing the atomic-structure of newly discovered rare-earth-element-free iron nitride (FeN) magnetic materials. Via atomic-resolution imaging and electron diffraction coupled with in situ TEM cooling on LaFeAsO, it was found that additional effects not related to the structural transition, namely dynamical scattering and electron channeling, can give signatures reminiscent of those typically associated with the symmetry change. UEM studies on LaFeAsO revealed direct, real-space imaging of the emergence and evolution of acoustic phonons and resolved dispersion behavior during propagation and scattering. Via UEM bright-field imaging, megahertz vibrational frequencies were observed upon laser-illumination in TEM specimens made out of HAMR devices which could be detrimental to their long-term thermal and structural reliability. Compression testing of 100-350 nm single-crystal MgO nanocubes shows size-dependent stresses and engineering strains of 4-13.8 GPa and 0.046-0.221 respectively at the first signs of yield accompanied by an absence of brittle fracture, which is a significant increase in plasticity of a brittle ceramic material. Atomic-scale characterization of FeN phases show that it is possible to detect interstitial locations of low atomic-number nitrogen atoms in iron crystal and hints at a development of novel routes (without involving rare-earth elements) for bulk permanent magnet synthesis.

Seismoball: A Small Europa Orbiter Drop-Off Probe for Early Exploration of the Europan Surface

NASA Technical Reports Server (NTRS)

Tamppari, L.; Zimmerman, W.; Green, J.

2001-01-01

Recent magnetometry data received from Galileo indicate that the most likely explanation for the magnetic signature there is indeed a global conducting layer below the surface. This conducting layer is well matched by a salty, mineral rich strata beneath the Europan ice crust or a salt water ocean. Galileo imaging results show a variety of terrain types thought to contain young material; for example, lineaments, chaotic terrain, and eruption features. Additionally, Galileo images have shown indications of areas of up-welling where subsurface material periodically gets pushed to the surface due to the forces of fracturing, butting, and refreezing of the ice sheet. While Europa Orbiter will provide close-flyby high resolution images, as well as magnetometry, spectroscopy and other remote sensing data of the surface, it will not be able to provide essential engineering data like surface hardness and surface ice structure needed to support eventual landed missions. Additionally, ice chemical composition at microscopic scales can only be studied in detail through in situ instrumentation. Seismoball is a small probe designed to be injected into a surface intersect orbit around Europa. Using small reverse thrusters, the probe will be capable of nulling the high horizontal injection velocity as it approaches the 2 km surface injection altitude, thus allowing it to fall to the surface at an impact velocity of < 100m/sec (much less than the DS-2 impact velocities). The external breakaway thruster structure and crushable exterior shell absorb the impact energy while allowing the science instrument suite to remain intact. JPL has already started analyzing the entry dynamics and designing/building a small, low mass probe which will withstand the impact g-forces and fit as a 'carry-on' on board the Europa Orbiter. The probe will carry a suite of 5-6 micro-instruments for imaging the surface (both microscopic and far-field), surface and shallow subsurface ice temperatures, surface hardness, crustal dynamics and periodicity, and compositional chemistry. If selected, this flight development activity will provide a unique science opportunity and adjunct to the primary Orbiter science mission. The final flight system will be designed to accommodate orbiter mass, volume, and power interface constraints, as well as entry dynamics, g-load mitigation, and arbitrary landing orientation.

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.

DGDFT: A massively parallel method for large scale density functional theory calculations.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao

2015-09-28

We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) method, for efficient large-scale Kohn-Sham DFT based electronic structure calculations. The DGDFT method uses adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field iteration to represent the solution to the Kohn-Sham equations. The use of the ALB set provides a systematic way to improve the accuracy of the approximation. By using the pole expansion and selected inversion technique to compute electron density, energy, and atomic forces, we can make the computational complexity of DGDFT scale at most quadratically with respect to the number of electrons for both insulating and metallic systems. We show that for the two-dimensional (2D) phosphorene systems studied here, using 37 basis functions per atom allows us to reach an accuracy level of 1.3 × 10(-4) Hartree/atom in terms of the error of energy and 6.2 × 10(-4) Hartree/bohr in terms of the error of atomic force, respectively. DGDFT can achieve 80% parallel efficiency on 128,000 high performance computing cores when it is used to study the electronic structure of 2D phosphorene systems with 3500-14 000 atoms. This high parallel efficiency results from a two-level parallelization scheme that we will describe in detail.

Atomic-scale imaging of DNA using scanning tunnelling microscopy.

PubMed

Driscoll, R J; Youngquist, M G; Baldeschwieler, J D

1990-07-19

The scanning tunnelling microscope (STM) has been used to visualize DNA under water, under oil and in air. Images of single-stranded DNA have shown that submolecular resolution is possible. Here we describe atomic-resolution imaging of duplex DNA. Topographic STM images of uncoated duplex DNA on a graphite substrate obtained in ultra-high vacuum are presented that show double-helical structure, base pairs, and atomic-scale substructure. Experimental STM profiles show excellent correlation with atomic contours of the van der Waals surface of A-form DNA derived from X-ray crystallography. A comparison of variations in the barrier to quantum mechanical tunnelling (barrier-height) with atomic-scale topography shows correlation over the phosphate-sugar backbone but anticorrelation over the base pairs. This relationship may be due to the different chemical characteristics of parts of the molecule. Further investigation of this phenomenon should lead to a better understanding of the physics of imaging adsorbates with the STM and may prove useful in sequencing DNA. The improved resolution compared with previously published STM images of DNA may be attributable to ultra-high vacuum, high data-pixel density, slow scan rate, a fortuitously clean and sharp tip and/or a relatively dilute and extremely clean sample solution. This work demonstrates the potential of the STM for characterization of large biomolecular structures, but additional development will be required to make such high resolution imaging of DNA and other large molecules routine.

Superradiance for Atoms Trapped along a Photonic Crystal Waveguide

NASA Astrophysics Data System (ADS)

Goban, A.; Hung, C.-L.; Hood, J. D.; Yu, S.-P.; Muniz, J. A.; Painter, O.; Kimble, H. J.

2015-08-01

We report observations of superradiance for atoms trapped in the near field of a photonic crystal waveguide (PCW). By fabricating the PCW with a band edge near the D1 transition of atomic cesium, strong interaction is achieved between trapped atoms and guided-mode photons. Following short-pulse excitation, we record the decay of guided-mode emission and find a superradiant emission rate scaling as Γ¯SR∝N ¯Γ1 D for average atom number 0.19 ≲N ¯≲2.6 atoms, where Γ1 D/Γ'=1.0 ±0.1 is the peak single-atom radiative decay rate into the PCW guided mode, and Γ' is the radiative decay rate into all the other channels. These advances provide new tools for investigations of photon-mediated atom-atom interactions in the many-body regime.

Entangled Dynamics in Macroscopic Quantum Tunneling of Bose-Einstein Condensates

NASA Astrophysics Data System (ADS)

Alcala, Diego A.; Glick, Joseph A.; Carr, Lincoln D.

2017-05-01

Tunneling of a quasibound state is a nonsmooth process in the entangled many-body case. Using time-evolving block decimation, we show that repulsive (attractive) interactions speed up (slow down) tunneling. While the escape time scales exponentially with small interactions, the maximization time of the von Neumann entanglement entropy between the remaining quasibound and escaped atoms scales quadratically. Stronger interactions require higher-order corrections. Entanglement entropy is maximized when about half the atoms have escaped.

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

Legal Time of the Republic of Colombia and its international traceability using the Cesium Atomic Clock - Time and Frequency National Standard

NASA Astrophysics Data System (ADS)

Hernández Forero, Liz Catherine; Bahamón Cortés, Nelson

2017-06-01

Around the world, there are different providers of timestamp (mobile, radio or television operators, satellites of the GPS network, astronomical measurements, etc.), however, the source of the legal time for a country is either the national metrology institute or another designated laboratory. This activity requires a time standard based on an atomic time scale. The International Bureau of Weights and Measures (BIPM) calculates a weighted average of the time kept in more than 60 nations and produces a single international time scale, called Coordinated Universal Time (UTC). This article presents the current time scale that generates Legal Time for the Republic of Colombia produced by the Instituto Nacional de Metrología (INM) using the time and frequency national standard, a cesium atomic oscillator. It also illustrates how important it is for the academic, scientific and industrial communities, as well as the general public, to be synchronized with this time scale, which is traceable to the International System (SI) of units, through international comparisons that are made in real time.

Nano-scaled top-down of bismuth chalcogenides based on electrochemical lithium intercalation

NASA Astrophysics Data System (ADS)

Chen, Jikun; Zhu, Yingjie; Chen, Nuofu; Liu, Xinling; Sun, Zhengliang; Huang, Zhenghong; Kang, Feiyu; Gao, Qiuming; Jiang, Jun; Chen, Lidong

2011-12-01

A two-step method has been used to fabricate nano-particles of layer-structured bismuth chalcogenide compounds, including Bi2Te3, Bi2Se3, and Bi2Se0.3Te2.7, through a nano-scaled top-down route. In the first step, lithium (Li) atoms are intercalated between the van der Waals bonded quintuple layers of bismuth chalcogenide compounds by controllable electrochemical process inside self-designed lithium ion batteries. And in the second step, the Li intercalated bismuth chalcogenides are subsequently exposed to ethanol, in which process the intercalated Li atoms would explode like atom-scaled bombs to exfoliate original microscaled powder into nano-scaled particles with size around 10 nm. The influence of lithium intercalation speed and amount to three types of bismuth chalcogenide compounds are compared and the optimized intercalation conditions are explored. As to maintain the phase purity of the final nano-particle product, the intercalation lithium amount should be well controlled in Se contained bismuth chalcogenide compounds. Besides, compared with binary bismuth chalcogenide compound, lower lithium intercalation speed should be applied in ternary bismuth chalcogenide compound.

Atom-by-atom assembly of defect-free one-dimensional cold atom arrays.

PubMed

Endres, Manuel; Bernien, Hannes; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D

2016-11-25

The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a platform for the deterministic preparation of regular one-dimensional arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of more than 50 atoms in less than 400 milliseconds. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach may enable controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements. Copyright © 2016, American Association for the Advancement of Science.

Theory of ionizing neutrino-atom collisions: The role of atomic recoil

NASA Astrophysics Data System (ADS)

Kouzakov, Konstantin A.; Studenikin, Alexander I.

2016-04-01

We consider theoretically ionization of an atom by neutrino impact taking into account electromagnetic interactions predicted for massive neutrinos by theories beyond the Standard Model. The effects of atomic recoil in this process are estimated using the one-electron and semiclassical approximations and are found to be unimportant unless the energy transfer is very close to the ionization threshold. We show that the energy scale where these effects become important is insignificant for current experiments searching for magnetic moments of reactor antineutrinos.

Toggling Bistable Atoms via Mechanical Switching of Bond Angle

NASA Astrophysics Data System (ADS)

Sweetman, Adam; Jarvis, Sam; Danza, Rosanna; Bamidele, Joseph; Gangopadhyay, Subhashis; Shaw, Gordon A.; Kantorovich, Lev; Moriarty, Philip

2011-04-01

We reversibly switch the state of a bistable atom by direct mechanical manipulation of bond angle using a dynamic force microscope. Individual buckled dimers at the Si(100) surface are flipped via the formation of a single covalent bond, actuating the smallest conceivable in-plane toggle switch (two atoms) via chemical force alone. The response of a given dimer to a flip event depends critically on both the local and nonlocal environment of the target atom—an important consideration for future atomic scale fabrication strategies.

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.

Demonstration of Helicopter Multi-Sensor Towed Array Detection System (MTADS) Magnetometry Technology at Victorville Precision Bombing Range, California

DTIC Science & Technology

2008-09-12

measurement Fluxgate magnetometer 10 RS232- ASCII SerialDevice.fluxgate Provides redundant aircraft attitude measurement Acoustic altimeters 10 Analog...primarily by terrain, vegetation, and structural inhibitions to safe low-altitude flight. The magnetometer data can be analyzed to extract either...to validate the results of the magnetometer survey. ESTCP Victorville PBR WAA Final Report December 2008 Sky Research, Inc. 2 1.2. Objectives of

Ordered arrays of Ni magnetic nanowires: Synthesis and investigation

NASA Astrophysics Data System (ADS)

Napolskii, K. S.; Eliseev, A. A.; Yesin, N. V.; Lukashin, A. V.; Tretyakov, Yu. D.; Grigorieva, N. A.; Grigoriev, S. V.; Eckerlebe, H.

2007-03-01

The present study is focused on the synthesis and investigation of anodic aluminum oxide (AAO) films and magnetic nanocomposites Ni/AAO obtained by Ni electrodeposition into porous matrix. AAO membranes and magnetic nanocomposites were investigated by HRSEM, EDX microanalysis, XRD, nitrogen capillary adsorption method, SQUID magnetometry, and polarized small-angle neutron scattering (SANS). The influence of synthesis conditions and form factor effect on the magnetic properties of nanowire arrays is reported.

EIT amplitude noise spectroscopy

NASA Astrophysics Data System (ADS)

Whitenack, Benjamin; Tormey, Devan; O'Leary, Shannon; Crescimanno, Michael

2017-04-01

EIT Noise spectroscopy is usually studied by computing a correlation statistic based on temporal intensity variations of the two (circular polarization) propagation eigenstates. Studying the intensity noise correlations that result from amplitude mixing that we perform before and after the cell allows us to recast it in terms of the underlying amplitude noise. This leads to new tests of the quantum optics theory model and suggests an approach to the use of noise spectroscopy for vector magnetometry.

First-principles study of the binding energy between nanostructures and its scaling with system size

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Jiao, Yang; Mo, Yuxiang; Yang, Zeng-Hui; Zhu, Jian-Xin; Hyldgaard, Per; Perdew, John P.

2018-04-01

The equilibrium van der Waals binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling behavior from first-principles calculations. We show that the equilibrium binding energy per atom between identical nanostructures can scale up or down with nanostructure size, but can be parametrized for large N with an analytical formula (in meV/atom), Eb/N =a +b /N +c /N2+d /N3 , where N is the number of atoms in a nanostructure and a , b , c , and d are fitting parameters, depending on the properties of a nanostructure. The formula is consistent with a finite large-size limit of binding energy per atom. We find that there are two competing factors in the determination of the binding energy: Nonadditivities of van der Waals coefficients and center-to-center distance between nanostructures. To decode the detail, the nonadditivity of the static multipole polarizability is investigated from an accurate spherical-shell model. We find that the higher-order multipole polarizability displays ultrastrong intrinsic nonadditivity, no matter if the dipole polarizability is additive or not.

Atomically Thin Femtojoule Memristive Device

DOE PAGES

Zhao, Huan; Dong, Zhipeng; Tian, He; ...

2017-10-25

The morphology and dimension of the conductive filament formed in a memristive device are strongly influenced by the thickness of its switching medium layer. Aggressive scaling of this active layer thickness is critical toward reducing the operating current, voltage, and energy consumption in filamentary-type memristors. Previously, the thickness of this filament layer has been limited to above a few nanometers due to processing constraints, making it challenging to further suppress the on-state current and the switching voltage. In this paper, the formation of conductive filaments in a material medium with sub-nanometer thickness formed through the oxidation of atomically thin two-dimensionalmore » boron nitride is studied. The resulting memristive device exhibits sub-nanometer filamentary switching with sub-pA operation current and femtojoule per bit energy consumption. Furthermore, by confining the filament to the atomic scale, current switching characteristics are observed that are distinct from that in thicker medium due to the profoundly different atomic kinetics. The filament morphology in such an aggressively scaled memristive device is also theoretically explored. Finally, these ultralow energy devices are promising for realizing femtojoule and sub-femtojoule electronic computation, which can be attractive for applications in a wide range of electronics systems that desire ultralow power operation.« less

Mesoscale modeling of solute precipitation and radiation damage

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

Zhang, Yongfeng; Schwen, Daniel; Ke, Huibin

2015-09-01

This report summarizes the low length scale effort during FY 2014 in developing mesoscale capabilities for microstructure evolution in reactor pressure vessels. During operation, reactor pressure vessels are subject to hardening and embrittlement caused by irradiation-induced defect accumulation and irradiation-enhanced solute precipitation. Both defect production and solute precipitation start from the atomic scale, and manifest their eventual effects as degradation in engineering-scale properties. To predict the property degradation, multiscale modeling and simulation are needed to deal with the microstructure evolution, and to link the microstructure feature to material properties. In this report, the development of mesoscale capabilities for defect accumulationmore » and solute precipitation are summarized. Atomic-scale efforts that supply information for the mesoscale capabilities are also included.« less

Atomic-scale electrochemistry on the surface of a manganite

DOE PAGES

Vasudevan, Rama K.; Tselev, Alexander; Baddorf, Arthur P.; ...

2015-04-09

The doped manganese oxides (manganites) have been widely studied for their colossal magnetoresistive effects, for potential applications in oxide spintronics, electroforming in resistive switching devices, and are materials of choice as cathodes in modern solid oxide fuel cells. However, little experimental knowledge of the dynamics of the surfaces of perovskite manganites at the atomic scale exists. Here, through in-situ scanning tunnelling microscopy (STM), we demonstrate atomic resolution on samples of La 0.625Ca 0.375MnO 3 grown on (001) SrTiO 3 by pulsed laser deposition (PLD). Furthermore, by applying triangular DC waveforms of increasing amplitude to the STM tip, and measuring themore » tunnelling current, we demonstrate the ability to both perform and monitor surface electrochemical processes at the atomic level, including, for the first time in a manganite, formation of single and multiple oxygen vacancies, disruption of the overlying manganite layers, and removal and deposition of individual atomic units or clusters. Our work paves the way for better understanding of surface oxygen reactions in these systems.« less

Atomic imaging using secondary electrons in a scanning transmission electron microscope: experimental observations and possible mechanisms.

PubMed

Inada, H; Su, D; Egerton, R F; Konno, M; Wu, L; Ciston, J; Wall, J; Zhu, Y

2011-06-01

We report detailed investigation of high-resolution imaging using secondary electrons (SE) with a sub-nanometer probe in an aberration-corrected transmission electron microscope, Hitachi HD2700C. This instrument also allows us to acquire the corresponding annular dark-field (ADF) images both simultaneously and separately. We demonstrate that atomic SE imaging is achievable for a wide range of elements, from uranium to carbon. Using the ADF images as a reference, we studied the SE image intensity and contrast as functions of applied bias, atomic number, crystal tilt, and thickness to shed light on the origin of the unexpected ultrahigh resolution in SE imaging. We have also demonstrated that the SE signal is sensitive to the terminating species at a crystal surface. A possible mechanism for atomic-scale SE imaging is proposed. The ability to image both the surface and bulk of a sample at atomic-scale is unprecedented, and can have important applications in the field of electron microscopy and materials characterization. Copyright © 2010 Elsevier B.V. All rights reserved.

Tunable resonances due to vacancies in graphene nanoribbons

NASA Astrophysics Data System (ADS)

Bahamon, D. A.; Pereira, A. L. C.; Schulz, P. A.

2010-10-01

The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on the effect of the distance to the edges and intervacancies spacing. An involved interplay of vacancies sublattice location and nanoribbon edge termination, together with the spacing parameters lead to a wide conductance resonance line-shape modification. Turning on a magnetic field introduces a new length scale that unveils counterintuitive aspects of the interplay between purely geometric aspects of the system and the underlying atomic scale nature of graphene.

Direct Writing of Graphene-based Nanoelectronics via Atomic Force Microscopy

DTIC Science & Technology

2012-05-07

To) 07-05-2012 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Direct Writing of Graphene -based Nanoelectronics via Atomic Force Microscopy 5b. GRANT...ABSTRACT This project employs direct writing with an atomic force microscope (AFM) to fabricate simple graphene -based electronic components like resistors...and transistors at nanometer-length scales. The goal is to explore their electrical properties for graphene -based electronics. Conducting

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.

Molecular dynamics on diffusive time scales from the phase-field-crystal equation.

PubMed

Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon

2009-03-01

We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

Counter-intuitive experimental evidence on the initiation of radical crack in ceramic thin films at the atomic scale

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

Zhuang, Chunqiang, E-mail: chunqiang.zhuang@bjut.edu.cn; Li, Zhipeng; Lin, Songsheng

2015-10-15

The basic issue related to radial crack in ceramic thin films has received considerable attention due to the fact that the radial crack plays an important role in evaluating the toughness properties of ceramic materials. In this work, an atomic-scale new experimental evidence is clearly presented to reveal the counter-intuitive initiation, the nucleation and the propagation mechanism of the radial crack in Al-Cr-N ceramic thin films.

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

Theory of carbon nanocones: mechanical chiral inversion of a micron-scale three-dimensional object.

PubMed

Jordan, Stephen P; Crespi, Vincent H

2004-12-17

Graphene cones have two degenerate configurations: their original shape and its inverse. When the apex is depressed by an external probe, the simulated mechanical response is highly nonlinear, with a broad constant-force mode appearing after a short initial Hooke's law regime. For chiral cones, the final state is an atomically exact chiral invert of the original system. If the local reflection symmetry of the graphene sheet is broken by the chemisorption of just five hydrogen atoms to the apex, then the maximal yield strength of the cone increases by approximately 40%. The high symmetry of the conical geometry can concentrate micron-scale mechanical work with atomic precision, providing a way to activate specific chemical bonds.

Global Solar Magnetology and Reference Points of the Solar Cycle

NASA Astrophysics Data System (ADS)

Obridko, V. N.; Shelting, B. D.

2003-11-01

The solar cycle can be described as a complex interaction of large-scale/global and local magnetic fields. In general, this approach agrees with the traditional dynamo scheme, although there are numerous discrepancies in the details. Integrated magnetic indices introduced earlier are studied over long time intervals, and the epochs of the main reference points of the solar cycles are refined. A hypothesis proposed earlier concerning global magnetometry and the natural scale of the cycles is verified. Variations of the heliospheric magnetic field are determined by both the integrated photospheric i(B r )ph and source surface i(B r )ss indices, however, their roles are different. Local fields contribute significantly to the photospheric index determining the total increase in the heliospheric magnetic field. The i(B r )ss index (especially the partial index ZO, which is related to the quasi-dipolar field) determines narrow extrema. These integrated indices supply us with a “passport” for reference points, making it possible to identify them precisely. A prominent dip in the integrated indices is clearly visible at the cycle maximum, resulting in the typical double-peak form (the Gnevyshev dip), with the succeeding maximum always being higher than the preceding maximum. At the source surface, this secondary maximum significantly exceeds the primary maximum. Using these index data, we can estimate the progression expected for the 23rd cycle and predict the dates of the ends of the 23rd and 24th cycles (the middle of 2007 and December 2018, respectively).

Fiscal year 1976 progress report on a feasibility study evaluating the use of surface penetrators for planetary exploration

NASA Technical Reports Server (NTRS)

Blanchard, M. B.; Oberbeck, V. R.; Bunch, T. E.; Reynolds, R. T.; Canning, T. N.; Jackson, R. W.

1976-01-01

The feasibility of employing penetrators for exploring Mars was examined. Eight areas of interest for key scientific experiments were identified. These include: seismic activity, imaging, geochemistry, water measurement, heatflow, meteorology, magnetometry, and biochemistry. In seven of the eight potential experiment categories this year's progress included: conceptual design, instrument fabrication, instrument performance evaluation, and shock loading of important components. Most of the components survived deceleration testing with negligible performance changes. Components intended to be placed inside the penetrator forebody were tested up to 3,500 g and components intended to be placed on the afterbody were tested up to 21,000 g. A field test program was conducted using tentative Mars penetrator mission constraints. Drop tests were performed at two selected terrestrial analog sites to determine the range of penetration depths for anticipated common Martian materials. Minimum penetration occurred in basalt at Amboy, California. Three full-scale penetrators penetrated 0.4 to 0.9 m into the basalt after passing through 0.3 to 0.5 m of alluvial overburden. Maximum penetration occurred in unconsolidated sediments at McCook, Nebraska. Two full-scale penetrators penetrated 2.5 to 8.5 m of sediment. Impact occurred in two kinds of sediment: loess and layered clay. Deceleration g loads of nominally 2,000 for the forebody and 20,000 for the afterbody did not present serious design problems for potential experiments. Penetrators have successfully impacted into terrestrial analogs of the probable extremes of potential Martian sites.

Emplacement of Zebín Hill, Jičín Volcanic Field, Bohemian Paradise, Czech Republic: Anisotropy of Magnetic Susceptibility, Ground Magnetometry, Electric Resistivity Tomography, and Paleomagnetic Data

NASA Astrophysics Data System (ADS)

Petronis, M. S.; Rapprich, , V.; Valenta, J.; Leman, J.; Brister, A. R.; van Wyk de Vries, B.

2014-12-01

A well-preserved set of mid-Miocene tuff-cones and their feeders outcrop in the Jičín Volcanic Field, Czech Republic. Zebín Hill is a tuff cone that has been quarried to reveal the volcanoes feeder system. This edifice offers the opportunity to understand how magma is transported through a monogenetic pyroclastic cone. Rock types include a coarse-grained basal phreatomagmatic layer and a stratified upper wall facies both of which are penetrated by feeder dikes. Anisotropy of magnetic susceptibility (AMS) and paleomagnetic data were collected at twenty-one sites from feeder dikes and the main conduit of the volcano. A high-resolution ground magnetometry survey, electric resistivity tomography and seismic tomography were also conducted. Magnetic susceptibility intensity indicates that the dominant magnetic mineral is a ferromagnetic phase with little contribution from paramagnetic minerals. AMS ellipsoids shapes are both oblate and prolate and inferred magma flow directions indicate magma flow away from the central vent area and subhorizontal flow towards and away from the axial conduit; both upward and downward magma flow is evident at some sites. Curie point estimates yield a spectrum of results indicating a mixture of high-Ti titanomagnetite, iron sulfide, and low-Ti titanomagnetite. Ground magnetometry data indicate that both normal and reverse polarity rocks are present at Zebín Hill. Paleomagnetic data confirm the ground magnetic data in that both normal and reverse polarity rocks are present. Most sites yield a single component magnetization that is well grouped at the site level and carried by pseudosingle domain titanomagnetite. The presence of both normal and reverse polarity magnetizations from the volcano indicate that significant time passed during the growth of this monogenic system. Complex system of branching dikes has been also observed from electric resistivity tomography. The simple external structure of monogenetic volcanoes hides a rather complex magmatic plumbing system that dynamically evolves during the life of the volcano. As we show, the well-exposed roots of Zebín Hill reveals that the growth of a volcano occurs not due to simple central axis feeder systems but rather through interplay of local structures, magmatic effects, and construct evolution during the life of the volcano

Effects of rock wool on the lungs evaluated by magnetometry and biopersistence test

PubMed Central

Kudo, Yuichiro; Kotani, Makoto; Tomita, Masayuki; Aizawa, Yoshiharu

2009-01-01

Background Asbestos has been reported to cause pulmonary fibrosis, and its use has been banned all over the world. The related industries are facing an urgent need to develop a safer fibrous substance. Rock wool (RW), a kind of asbestos substitute, is widely used in the construction industry. In order to evaluate the safety of RW, we performed a nose-only inhalation exposure study in rats. After one-month observation period, the potential of RW fibers to cause pulmonary toxicity was evaluated based on lung magnetometry findings, pulmonary biopersistence, and pneumopathology. Methods Using the nose-only inhalation exposure system, 6 male Fischer 344 rats (6 to 10 weeks old) were exposed to RW fibers at a target fiber concentration of 100 fibers/cm3 (length [L] > 20 μm) for 6 hours daily, for 5 consecutive days. As a magnetometric indicator, 3 mg of triiron tetraoxide suspended in 0.2 mL of physiological saline was intratracheally administered after RW exposure to these rats and 6 unexposed rats (controls). During one second magnetization in 50 mT external magnetic field, all magnetic particles were aligned, and immediately afterwards the strength of their remanent magnetic field in the rat lungs was measured in both groups. Magnetization and measurement of the decay (relaxation) of this remanent magnetic field was performed over 40 minutes on 1, 3, 14, and 28 days after RW exposure, and reflected cytoskeleton dependent intracellular transport within macrophages in the lung. Similarly, 24 and 12 male Fisher 344-rats were used for biopersistence test and pathologic evaluation, respectively. Results In the lung magnetometric evaluation, biopersistence test and pathological evaluation, the arithmetic mean value of the total fiber concentration was 650.2, 344.7 and 390.7 fibers/cm3, respectively, and 156.6, 93.1 and 95.0 fibers/cm3 for fibers with L > 20 μm, respectively. The lung magnetometric evaluation revealed that impaired relaxation indicating cytoskeletal toxicity did not occur in the RW exposure group. In addition, clearance of the magnetic tracer particles was not significantly affected by the RW exposure. No effects on lung pathology were noted after RW exposure. Conclusion These findings indicate that RW exposure is unlikely to cause pulmonary toxicity within four weeks period. Lung magnetometry studies involving long-term exposure and observation will be necessary to ensure the safety of RW. PMID:19323845

Real-space Wigner-Seitz Cells Imaging of Potassium on Graphite via Elastic Atomic Manipulation

PubMed Central

Yin, Feng; Koskinen, Pekka; Kulju, Sampo; Akola, Jaakko; Palmer, Richard E.

2015-01-01

Atomic manipulation in the scanning tunnelling microscopy, conventionally a tool to build nanostructures one atom at a time, is here employed to enable the atomic-scale imaging of a model low-dimensional system. Specifically, we use low-temperature STM to investigate an ultra thin film (4 atomic layers) of potassium created by epitaxial growth on a graphite substrate. The STM images display an unexpected honeycomb feature, which corresponds to a real-space visualization of the Wigner-Seitz cells of the close-packed surface K atoms. Density functional simulations indicate that this behaviour arises from the elastic, tip-induced vertical manipulation of potassium atoms during imaging, i.e. elastic atomic manipulation, and reflects the ultrasoft properties of the surface under strain. The method may be generally applicable to other soft e.g. molecular or biomolecular systems. PMID:25651973

Automated extraction of single H atoms with STM: tip state dependency

NASA Astrophysics Data System (ADS)

Møller, Morten; Jarvis, Samuel P.; Guérinet, Laurent; Sharp, Peter; Woolley, Richard; Rahe, Philipp; Moriarty, Philip

2017-02-01

The atomistic structure of the tip apex plays a crucial role in performing reliable atomic-scale surface and adsorbate manipulation using scanning probe techniques. We have developed an automated extraction routine for controlled removal of single hydrogen atoms from the H:Si(100) surface. The set of atomic extraction protocols detect a variety of desorption events during scanning tunneling microscope (STM)-induced modification of the hydrogen-passivated surface. The influence of the tip state on the probability for hydrogen removal was examined by comparing the desorption efficiency for various classifications of STM topographs (rows, dimers, atoms, etc). We find that dimer-row-resolving tip apices extract hydrogen atoms most readily and reliably (and with least spurious desorption), while tip states which provide atomic resolution counter-intuitively have a lower probability for single H atom removal.

Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

PubMed

Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

2017-06-27

Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

Semi-empirical scaling for ion–atom single charge exchange cross sections in the intermediate velocity regime

DOE PAGES

Friedman, B.; DuCharme, G.

2017-05-11

We present a semi-empirical scaling law for non-resonant ion–atom single charge exchange cross sections for collisions with velocities frommore » $${10}^{7}\\,{\\rm{t}}{\\rm{o}}\\,{10}^{9}\\,\\mathrm{cm}\\,{{\\rm{s}}}^{-1}$$ and ions with positive charge $$q\\lt 8$$. Non-resonant cross sections tend to have a velocity peak at collision velocities $$v\\lesssim 1\\ {\\rm{a}}{\\rm{u}}$$ with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, $${\\rm{\\Delta }}E$$, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters $${v}_{{\\rm{m}}},{I}_{{\\rm{T}}},{Z}_{{\\rm{T}}},\\mathrm{and}\\ {Z}_{{\\rm{P}}}$$, where the $${Z}_{{\\rm{T}},{\\rm{P}}}$$ are the target and projectile atomic numbers. In conclusion, for the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.« less

Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales.

PubMed

Huang, Shiping

2017-11-13

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales

NASA Astrophysics Data System (ADS)

Huang, Shiping

2017-11-01

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

Multi-level molecular modelling for plasma medicine

NASA Astrophysics Data System (ADS)

Bogaerts, Annemie; Khosravian, Narjes; Van der Paal, Jonas; Verlackt, Christof C. W.; Yusupov, Maksudbek; Kamaraj, Balu; Neyts, Erik C.

2016-02-01

Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in plasma medicine. This paper gives an overview of different atomic/molecular scale modelling approaches that can be used to study the direct interaction of plasma species with biomolecules or the consequences of these interactions for the biomolecules on a somewhat longer time-scale. These approaches include density functional theory (DFT), density functional based tight binding (DFTB), classical reactive and non-reactive molecular dynamics (MD) and united-atom or coarse-grained MD, as well as hybrid quantum mechanics/molecular mechanics (QM/MM) methods. Specific examples will be given for three important types of biomolecules, present in human cells, i.e. proteins, DNA and phospholipids found in the cell membrane. The results show that each of these modelling approaches has its specific strengths and limitations, and is particularly useful for certain applications. A multi-level approach is therefore most suitable for obtaining a global picture of the plasma-biomolecule interactions.

Analysis of Helium Segregation on Surfaces of Plasma-Exposed Tungsten

NASA Astrophysics Data System (ADS)

Maroudas, Dimitrios; Hu, Lin; Hammond, Karl; Wirth, Brian

2015-11-01

We report a systematic theoretical and atomic-scale computational study of implanted helium segregation on surfaces of tungsten, which is considered as a plasma facing component in nuclear fusion reactors. We employ a hierarchy of atomic-scale simulations, including molecular statics to understand the origin of helium surface segregation, targeted molecular-dynamics (MD) simulations of near-surface cluster reactions, and large-scale MD simulations of implanted helium evolution in plasma-exposed tungsten. We find that small, mobile helium clusters (of 1-7 He atoms) in the near-surface region are attracted to the surface due to an elastic interaction force. This thermodynamic driving force induces drift fluxes of these mobile clusters toward the surface, facilitating helium segregation. Moreover, the clusters' drift toward the surface enables cluster reactions, most importantly trap mutation, at rates much higher than in the bulk material. This cluster dynamics has significant effects on the surface morphology, near-surface defect structures, and the amount of helium retained in the material upon plasma exposure.

STEM and APT characterization of scale formation on a La,Hf,Ti-doped NiCrAl model alloy.

PubMed

Unocic, Kinga A; Chen, Yimeng; Shin, Dongwon; Pint, Bruce A; Marquis, Emmanuelle A

2018-06-01

A thermally grown scale formed on a cast NiCrAl model alloy doped with lanthanum, hafnium, and titanium was examined after isothermal exposure at 1100 °C for 100 h in dry flowing O 2 to understand the dopant segregation along scale grain boundaries. The complex scale formed on the alloy surface was composed of two types of substrates: phase-dependent, thin (<250 nm) outer layers and a columnar-grained ∼3.5 μm inner alumina layer. Two types of oxides formed between the inner and outer scale layers: small (3-15 nm) La 2 O 3 and larger (≤50 nm) HfO 2 oxide precipitates. Nonuniform distributions of the hafnium, lanthanum, and titanium dopants were observed along the inner scale grain boundaries, with hafnium dominating in most of the grain boundaries of α-Al 2 O 3. The concentration of reactive elements (RE) seemed to strongly depend on the grain boundary structure. The level of titanium grain boundary segregation in the inner scale decreased toward the model alloy (substrate), confirming the fast outward diffusion of titanium. Hafnium was also observed at the metal-scale interface and in the γ' (Ni 3 Al) phase of the alloy. High-resolution scanning transmission electron microscopy (STEM) confirmed the substitution of REs for aluminum atoms at the scale grain boundaries, consistent with both the semiconducting band structure and the site-blocking models. Both STEM and atom probe tomography allowed quantification of REs along the scale grain boundaries across the scale thickness. Analysis of the scale morphology after isothermal exposure in flowing oxygen revealed a myriad of new precipitate phases, RE segregation dependence on grain boundary type, and atomic arrangement along scale grain boundaries, which is expected to influence the scale growth rate, stability, and mechanical properties. Copyright © 2018 Elsevier Ltd. All rights reserved.

Survey Plan For Characterization of the Subsurface Underlying the National Aeronautics and Space Administration's Marshall Space Flight Center in Huntsville, Alabama. Volume 1 and 2

NASA Technical Reports Server (NTRS)

1996-01-01

Topic considered include: survey objectives; technologies for non-Invasive imaging of subsurface; cost; data requirements and sources; climatic condition; hydrology and geology; chemicals; magnetometry; electrical(resistivity, potential); optical-style imaging; reflection/refraction seismics; gravitometry; photo-acoustic activation;well drilling and borehole analysis; comparative assessment matrix; ground sensors; choice of the neutron sources; logistic of operations; system requirements; health and safety plans.

Enhancement and Utilization of Airborne Magnetometry for the Detection, Characterization, and Identification of Unexploded Ordance (UXO)

DTIC Science & Technology

2007-07-01

measurement system is based on four GPS antennas rather than a fluxgate magnetometer measurement used in previous generation systems. For the ORAGS...hardware 1 $36,500 Orientation system 1 $16,600 Fluxgate magnetometer 1 $5,300 Navigation system 1 $5,200 Laser altimeter 1 $7,300 Data...1 iii LIST OF FIGURES Page Figure 1. Schematic for the ORAGS-Arrowhead Airborne Total Field Magnetometer System Developed for this Project

Poly(vinylpyrrolidone) coated iron nanoparticles in polar aprotic solvent.

PubMed

Ban, Zhihui; Cushing, Brian L; O'Connor, Charles J

2008-04-01

Poly(vinylpyrrolidone) (PVP) coated iron nanoparticles which show well-defined core-shell structures have been successfully synthesized in a polar aprotic solvent. In this approach, PVP was employed not as capping agent, but as coating polymer directly applied to the metallic (iron) core nanoparticles. The morphologies, structures, compositions and magnetic properties of the products were investigated by transmission electron microscopy (TEM), X-ray powder diffraction (XRD), energy dispersive X-ray spectroscopy (EDXS), SQUID magnetometry and FTIR spectroscopy.

Achieving High Sensitivity in Cavity Optomechanical Magnetometry

DTIC Science & Technology

2014-03-08

magnetometers, but with microwatts of power consumption, and without the need for cryogenics. This project was to implement magnetometers at both micro- and...state-of-the-art in SQUID magnetometers, but with microwatts of power consumption, and without the need for cryogenics. This project was to implement...microwatts  of   power   and  at  room  temperature.  This  first  year  of  the  project  fabricated  new  magnetometer

Ultra-high sensitivity moment magnetometry of geological samples using magnetic microscopy

NASA Astrophysics Data System (ADS)

Lima, Eduardo A.; Weiss, Benjamin P.

2016-09-01

Useful paleomagnetic information is expected to be recorded by samples with moments up to three orders of magnitude below the detection limit of standard superconducting rock magnetometers. Such samples are now detectable using recently developed magnetic microscopes, which map the magnetic fields above room-temperature samples with unprecedented spatial resolutions and field sensitivities. However, realizing this potential requires the development of techniques for retrieving sample moments from magnetic microscopy data. With this goal, we developed a technique for uniquely obtaining the net magnetic moment of geological samples from magnetic microscopy maps of unresolved or nearly unresolved magnetization. This technique is particularly powerful for analyzing small, weakly magnetized samples such as meteoritic chondrules and terrestrial silicate crystals like zircons. We validated this technique by applying it to field maps generated from synthetic sources and also to field maps measured using a superconducting quantum interference device (SQUID) microscope above geological samples with moments down to 10-15 Am2. For the most magnetic rock samples, the net moments estimated from the SQUID microscope data are within error of independent moment measurements acquired using lower sensitivity standard rock magnetometers. In addition to its superior moment sensitivity, SQUID microscope net moment magnetometry also enables the identification and isolation of magnetic contamination and background sources, which is critical for improving accuracy in paleomagnetic studies of weakly magnetic samples.

Nonmonotonic velocity dependence of atomic friction.

PubMed

Reimann, Peter; Evstigneev, Mykhaylo

2004-12-03

We propose a theoretical model for friction force microscopy experiments with special emphasis on the realistic description of dissipation and inertia effects. Its main prediction is a nonmonotonic dependence of the friction force upon the sliding velocity of the atomic force microscope tip relative to an atomically flat surface. The region around the force maximum can be approximately described by a universal scaling law and should be observable under experimentally realistic conditions.

Atomically Thin Hexagonal Boron Nitride Nanofilm for Cu Protection: The Importance of Film Perfection.

PubMed

Khan, Majharul Haque; Jamali, Sina S; Lyalin, Andrey; Molino, Paul J; Jiang, Lei; Liu, Hua Kun; Taketsugu, Tetsuya; Huang, Zhenguo

2017-01-01

Outstanding protection of Cu by high-quality boron nitride nanofilm (BNNF) 1-2 atomic layers thick in salt water is observed, while defective BNNF accelerates the reaction of Cu toward water. The chemical stability, insulating nature, and impermeability of ions through the BN hexagons render BNNF a great choice for atomic-scale protection. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical Interferometric Micrometrology

NASA Technical Reports Server (NTRS)

Abel, Phillip B.; Lauer, James R.

1989-01-01

Resolutions in angstrom and subangstrom range sought for atomic-scale surface probes. Experimental optical micrometrological system built to demonstrate calibration of piezoelectric transducer to displacement sensitivity of few angstroms. Objective to develop relatively simple system producing and measuring translation, across surface of specimen, of stylus in atomic-force or scanning tunneling microscope. Laser interferometer used to calibrate piezoelectric transducer used in atomic-force microscope. Electronic portion of calibration system made of commercially available components.

Probing Electronic States of Magnetic Semiconductors Using Atomic Scale Microscopy & Spectroscopy

DTIC Science & Technology

2013-12-01

the metal- insulator transition, a feature that has long been predicted theoretically. We showed that a similar picture is at play in magnetic doping of... magnetic atoms on the surface of a superconductor can be used as a versatile platform for creating a topological superconductor . These initial...topological superconductivity and Majorana fermions in a chain of magnetic atoms on the surface of a superconductor Students and postdocs supported

Precision atomic beam density characterization by diode laser absorption spectroscopy

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

Oxley, Paul; Wihbey, Joseph

2016-09-15

We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident lasermore » light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10{sup −5} are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10{sup 4} atoms cm{sup −3}. The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.« less

Analysis conditions of an industrial Al-Mg-Si alloy by conventional and 3D atom probes.

PubMed

Danoix, F; Miller, M K; Bigot, A

2001-10-01

Industrial 6016 Al-Mg-Si(Cu) alloys are presently regarded as attractive candidates for heat treatable sheet materials. Their mechanical properties can be adjusted for a given application by age hardening of the alloys. The resulting microstructural evolution takes place at the nanometer scale, making the atom probe a well suited instrument to study it. Accuracy of atom probe analysis of these aluminium alloys is a key point for the understanding of the fine scale microstructural evolution. It is known to be strongly dependent on the analysis conditions (such as specimen temperature and pulse fraction) which have been widely studied for ID atom probes. The development of the 3D instruments, as well as the increase of the evaporation pulse repetition rate have led to different analysis conditions, in particular evaporation and detection rates. The influence of various experimental parameters on the accuracy of atom probe data, in particular with regard to hydride formation sensitivity, has been reinvestigated. It is shown that hydrogen contamination is strongly dependent on the electric field at the specimen surface, and that high evaporation rates are beneficial. Conversely, detection rate must be limited to smaller than 0.02 atoms/pulse in order to prevent drastic pile-up effect.

Nanoarchitectonics for Controlling the Number of Dopant Atoms in Solid Electrolyte Nanodots.

PubMed

Nayak, Alpana; Unayama, Satomi; Tai, Seishiro; Tsuruoka, Tohru; Waser, Rainer; Aono, Masakazu; Valov, Ilia; Hasegawa, Tsuyoshi

2018-02-01

Controlling movements of electrons and holes is the key task in developing today's highly sophisticated information society. As transistors reach their physical limits, the semiconductor industry is seeking the next alternative to sustain its economy and to unfold a new era of human civilization. In this context, a completely new information token, i.e., ions instead of electrons, is promising. The current trend in solid-state nanoionics for applications in energy storage, sensing, and brain-type information processing, requires the ability to control the properties of matter at the ultimate atomic scale. Here, a conceptually novel nanoarchitectonic strategy is proposed for controlling the number of dopant atoms in a solid electrolyte to obtain discrete electrical properties. Using α-Ag 2+ δ S nanodots with a finite number of nonstoichiometry excess dopants as a model system, a theory matched with experiments is presented that reveals the role of physical parameters, namely, the separation between electrochemical energy levels and the cohesive energy, underlying atomic-scale manipulation of dopants in nanodots. This strategy can be applied to different nanoscale materials as their properties strongly depend on the number of doping atoms/ions, and has the potential to create a new paradigm based on controlled single atom/ion transfer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Precision atomic beam density characterization by diode laser absorption spectroscopy.

PubMed

Oxley, Paul; Wihbey, Joseph

2016-09-01

We provide experimental and theoretical details of a simple technique to determine absolute line-of-sight integrated atomic beam densities based on resonant laser absorption. In our experiments, a thermal lithium beam is chopped on and off while the frequency of a laser crossing the beam at right angles is scanned slowly across the resonance transition. A lock-in amplifier detects the laser absorption signal at the chop frequency from which the atomic density is determined. The accuracy of our experimental method is confirmed using the related technique of wavelength modulation spectroscopy. For beams which absorb of order 1% of the incident laser light, our measurements allow the beam density to be determined to an accuracy better than 5% and with a precision of 3% on a time scale of order 1 s. Fractional absorptions of order 10 -5 are detectable on a one-minute time scale when we employ a double laser beam technique which limits laser intensity noise. For a lithium beam with a thickness of 9 mm, we have measured atomic densities as low as 5 × 10 4 atoms cm -3 . The simplicity of our technique and the details we provide should allow our method to be easily implemented in most atomic or molecular beam apparatuses.

Quantum interference between two phonon paths and reduced heat transport in diamond lattice with atomic-scale planar defects

NASA Astrophysics Data System (ADS)

Kosevich, Yu. A.; Strelnikov, I. A.

2018-02-01

Destructive quantum interference between the waves propagating through laterally inhomogeneous layer can result in their total reflection, which in turn reduces energy flux carried by these waves. We consider the systems of Ge atoms, which fully or partly, in the chequer-wise order, fill a crystal plane in diamond-like Si lattice. We have revealed that a single type of the atomic defects, which are placed in identical positions in different unit cells in the defect crystal plane, can result in double transmission antiresonances of phonon wave packets. This new effect we relate with the complex structure of the diamond-like unit cell, which comprises two atoms in different positions and results in two distinct vibration resonances in two interfering phonon paths. We also consider the propagation of phonon wave packets in the superlatticies made of the defect planes, half-filled in the chequer-wise order with Ge atoms. We have revealed relatively broad phonon stop bands with center frequencies at the transmission antiresonances. We elaborate the equivalent analytical quasi-1D lattice model of the two phonon paths through the complex planar defect in the diamond-like lattice and describe the reduction of phonon heat transfer through the atomic-scale planar defects.

Temperature-modulated annealing of c-plane sapphire for long-range-ordered atomic steps

NASA Astrophysics Data System (ADS)

Yatsui, Takashi; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao; Yoshimoto, Mamoru

2016-03-01

High-quality single-crystalline sapphire is used to prepare various semiconductors because of its thermal stability. Here, we applied the tempering technique, which is well known in the production of chocolate, to prepare a sapphire substrate. Surprisingly, we successfully realised millimetre-range ordering of the atomic step of the sapphire substrate. We also obtained a sapphire atomic step with nanometre-scale uniformity in the terrace width and atomic-step height. Such sapphire substrates will find applications in the preparation of various semiconductors and devices.

Automated AFM for small-scale and large-scale surface profiling in CMP applications

NASA Astrophysics Data System (ADS)

Zandiatashbar, Ardavan; Kim, Byong; Yoo, Young-kook; Lee, Keibock; Jo, Ahjin; Lee, Ju Suk; Cho, Sang-Joon; Park, Sang-il

2018-03-01

As the feature size is shrinking in the foundries, the need for inline high resolution surface profiling with versatile capabilities is increasing. One of the important areas of this need is chemical mechanical planarization (CMP) process. We introduce a new generation of atomic force profiler (AFP) using decoupled scanners design. The system is capable of providing small-scale profiling using XY scanner and large-scale profiling using sliding stage. Decoupled scanners design enables enhanced vision which helps minimizing the positioning error for locations of interest in case of highly polished dies. Non-Contact mode imaging is another feature of interest in this system which is used for surface roughness measurement, automatic defect review, and deep trench measurement. Examples of the measurements performed using the atomic force profiler are demonstrated.

Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te)

PubMed Central

Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J. C. Séamus; Ghigo, Gianluca; Gu, Genda D.; Kwok, Wai-Kwong

2015-01-01

Maximizing the sustainable supercurrent density, JC, is crucial to high-current applications of superconductivity. To achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high-current applications of iron-based superconductors because JC amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical temperature. However, for these compounds, virtually nothing is known about the atomic-scale interplay of the crystal damage from the high-energy ions, the superconducting order parameter, and the vortex pinning processes. We visualize the atomic-scale effects of irradiating FeSexTe1−x with 249-MeV Au ions and find two distinct effects: compact nanometer-sized regions of crystal disruption or “columnar defects,” plus a higher density of single atomic site “point” defects probably from secondary scattering. We directly show that the superconducting order is virtually annihilated within the former and suppressed by the latter. Simultaneous atomically resolved images of the columnar crystal defects, the superconductivity, and the vortex configurations then reveal how a mixed pinning landscape is created, with the strongest vortex pinning occurring at metallic core columnar defects and secondary pinning at clusters of point-like defects, followed by collective pinning at higher fields. PMID:26601180

Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te).

PubMed

Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J C Séamus; Ghigo, Gianluca; Gu, Genda D; Kwok, Wai-Kwong

2015-05-01

Maximizing the sustainable supercurrent density, J C, is crucial to high-current applications of superconductivity. To achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high-current applications of iron-based superconductors because J C amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical temperature. However, for these compounds, virtually nothing is known about the atomic-scale interplay of the crystal damage from the high-energy ions, the superconducting order parameter, and the vortex pinning processes. We visualize the atomic-scale effects of irradiating FeSe x Te1-x with 249-MeV Au ions and find two distinct effects: compact nanometer-sized regions of crystal disruption or "columnar defects," plus a higher density of single atomic site "point" defects probably from secondary scattering. We directly show that the superconducting order is virtually annihilated within the former and suppressed by the latter. Simultaneous atomically resolved images of the columnar crystal defects, the superconductivity, and the vortex configurations then reveal how a mixed pinning landscape is created, with the strongest vortex pinning occurring at metallic core columnar defects and secondary pinning at clusters of point-like defects, followed by collective pinning at higher fields.

Scaled plane-wave Born cross sections for atoms and molecules

NASA Astrophysics Data System (ADS)

Tanaka, H.; Brunger, M. J.; Campbell, L.; Kato, H.; Hoshino, M.; Rau, A. R. P.

2016-04-01

Integral cross sections for optically allowed electronic-state excitations of atoms and molecules by electron impact, by applying scaled plane-wave Born models, are reviewed. Over 40 years ago, Inokuti presented an influential review of charged-particle scattering, based on the theory pioneered by Bethe forty years earlier, which emphasized the importance of reliable cross-section data from low eV energies to high keV energies that are needed in many areas of radiation science with applications to astronomy, plasmas, and medicine. Yet, with a couple of possible exceptions, most computational methods in electron-atom scattering do not, in general, overlap each other's validity range in the region from threshold up to 300 eV and, in particular, in the intermediate region from 30 to 300 eV. This is even more so for electron-molecule scattering. In fact this entire energy range is of great importance and, to bridge the gap between the two regions of low and high energy, scaled plane-wave Born models were developed to provide reliable, comprehensive, and absolute integral cross sections, first for ionization by Kim and Rudd and then extended to optically allowed electronic-state excitation by Kim. These and other scaling models in a broad, general application to electron scattering from atoms and molecules, their theoretical basis, and their results for cross sections along with comparison to experimental measurements are reviewed. Where possible, these data are also compared to results from other computational approaches.

Energy-loss- and thickness-dependent contrast in atomic-scale electron energy-loss spectroscopy

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

Tan, Haiyan; Zhu, Ye; Dwyer, Christian

2014-12-31

Atomic-scale elemental maps of materials acquired by core-loss inelastic electron scattering often exhibit an undesirable sensitivity to the unavoidable elastic scattering, making the maps counter-intuitive to interpret. Here, we present a systematic study that scrutinizes the energy-loss and sample-thickness dependence of atomic-scale elemental maps acquired using 100 keV incident electrons in a scanning transmission electron microscope. For single-crystal silicon, the balance between elastic and inelastic scattering means that maps generated from the near-threshold Si-L signal (energy loss of 99 eV) show no discernible contrast for a thickness of 0.5λ (λ is the electron mean-free path, here approximately 110 nm). Atmore » greater thicknesses we observe a counter-intuitive “negative” contrast. Only at much higher energy losses is an intuitive “positive” contrast gradually restored. Our quantitative analysis shows that the energy-loss at which a positive contrast is restored depends linearly on the sample thickness. This behavior is in very good agreement with our double-channeling inelastic scattering calculations. We test a recently-proposed experimental method to correct the core-loss inelastic scattering and restore an intuitive “positive” chemical contrast. The method is demonstrated to be reliable over a large range of energy losses and sample thicknesses. The corrected contrast for near-threshold maps is demonstrated to be (desirably) inversely proportional to sample thickness. As a result, implications for the interpretation of atomic-scale elemental maps are discussed.« less

Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms.

PubMed

Leung, V Y F; Pijn, D R M; Schlatter, H; Torralbo-Campo, L; La Rooij, A L; Mulder, G B; Naber, J; Soudijn, M L; Tauschinsky, A; Abarbanel, C; Hadad, B; Golan, E; Folman, R; Spreeuw, R J C

2014-05-01

We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold (87)Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

Laser techniques for spectroscopy of core-excited atomic levels

NASA Technical Reports Server (NTRS)

Harris, S. E.; Young, J. F.; Falcone, R. W.; Rothenberg, J. E.; Willison, J. R.

1982-01-01

We discuss three techniques which allow the use of tunable lasers for high resolution and picosecond time scale spectroscopy of core-excited atomic levels. These are: anti-Stokes absorption spectroscopy, laser induced emission from metastable levels, and laser designation of selected core-excited levels.

Correlating electronic transport to atomic structures in self-assembled quantum wires.

PubMed

Qin, Shengyong; Kim, Tae-Hwan; Zhang, Yanning; Ouyang, Wenjie; Weitering, Hanno H; Shih, Chih-Kang; Baddorf, Arthur P; Wu, Ruqian; Li, An-Ping

2012-02-08

Quantum wires, as a smallest electronic conductor, are expected to be a fundamental component in all quantum architectures. The electronic conductance in quantum wires, however, is often dictated by structural instabilities and electron localization at the atomic scale. Here we report on the evolutions of electronic transport as a function of temperature and interwire coupling as the quantum wires of GdSi(2) are self-assembled on Si(100) wire-by-wire. The correlation between structure, electronic properties, and electronic transport are examined by combining nanotransport measurements, scanning tunneling microscopy, and density functional theory calculations. A metal-insulator transition is revealed in isolated nanowires, while a robust metallic state is obtained in wire bundles at low temperature. The atomic defects lead to electron localizations in isolated nanowire, and interwire coupling stabilizes the structure and promotes the metallic states in wire bundles. This illustrates how the conductance nature of a one-dimensional system can be dramatically modified by the environmental change on the atomic scale. © 2012 American Chemical Society

Efficient Multiphoton Generation in Waveguide Quantum Electrodynamics.

PubMed

González-Tudela, A; Paulisch, V; Kimble, H J; Cirac, J I

2017-05-26

Engineering quantum states of light is at the basis of many quantum technologies such as quantum cryptography, teleportation, or metrology among others. Though, single photons can be generated in many scenarios, the efficient and reliable generation of complex single-mode multiphoton states is still a long-standing goal in the field, as current methods either suffer from low fidelities or small probabilities. Here we discuss several protocols which harness the strong and long-range atomic interactions induced by waveguide QED to efficiently load excitations in a collection of atoms, which can then be triggered to produce the desired multiphoton state. In order to boost the success probability and fidelity of each excitation process, atoms are used to both generate the excitations in the rest, as well as to herald the successful generation. Furthermore, to overcome the exponential scaling of the probability of success with the number of excitations, we design a protocol to merge excitations that are present in different internal atomic levels with a polynomial scaling.

Effect of nickel on point defects diffusion in Fe – Ni alloys

DOE PAGES

Anento, Napoleon; Serra, Anna; Osetsky, Yury N.

2017-05-05

Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the additionmore » of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.« less

New atom probe approaches to studying segregation in nanocrystalline materials.

PubMed

Samudrala, S K; Felfer, P J; Araullo-Peters, V J; Cao, Y; Liao, X Z; Cairney, J M

2013-09-01

Atom probe is a technique that is highly suited to the study of nanocrystalline materials. It can provide accurate atomic-scale information about the composition of grain boundaries in three dimensions. In this paper we have analysed the microstructure of a nanocrystalline super-duplex stainless steel prepared by high pressure torsion (HPT). Not all of the grain boundaries in this alloy display obvious segregation, making visualisation of the microstructure challenging. In addition, the grain boundaries present in the atom probe data acquired from this alloy have complex shapes that are curved at the scale of the dataset and the interfacial excess varies considerably over the boundaries, making the accurate characterisation of the distribution of solute challenging using existing analysis techniques. In this paper we present two new data treatment methods that allow the visualisation of boundaries with little or no segregation, the delineation of boundaries for further analysis and the quantitative analysis of Gibbsian interfacial excess at boundaries, including the capability of excess mapping. Copyright © 2013 Elsevier B.V. All rights reserved.

A robust molecular probe for Ångstrom-scale analytics in liquids

PubMed Central

Nirmalraj, Peter; Thompson, Damien; Dimitrakopoulos, Christos; Gotsmann, Bernd; Dumcenco, Dumitru; Kis, Andras; Riel, Heike

2016-01-01

Traditionally, nanomaterial profiling using a single-molecule-terminated scanning probe is performed at the vacuum–solid interface often at a few Kelvin, but is not a notion immediately associated with liquid–solid interface at room temperature. Here, using a scanning tunnelling probe functionalized with a single C60 molecule stabilized in a high-density liquid, we resolve low-dimensional surface defects, atomic interfaces and capture Ångstrom-level bond-length variations in single-layer graphene and MoS2. Atom-by-atom controllable imaging contrast is demonstrated at room temperature and the electronic structure of the C60–metal probe complex within the encompassing liquid molecules is clarified using density functional theory. Our findings demonstrates that operating a robust single-molecular probe is not restricted to ultra-high vacuum and cryogenic settings. Hence the scope of high-precision analytics can be extended towards resolving sub-molecular features of organic elements and gauging ambient compatibility of emerging layered materials with atomic-scale sensitivity under experimentally less stringent conditions. PMID:27516157

How polarizabilities and C6 coefficients actually vary with atomic volume

NASA Astrophysics Data System (ADS)

Gould, Tim

2016-08-01

In this work, we investigate how atomic C6 coefficients and static dipole polarizabilities α scale with effective volume. We show, using confined atoms covering rows 1-5 of the periodic table, that C 6 / C6 R ≈ ( V / VR ) p Z and α / α R ≈ ( V / VR ) pZ ' (for volume V = ∫ d r /4 π 3 r 3 n ( r ) ), where C6 R , αR, and VR are the reference values and effective volume of the free atom. The scaling exponents pZ and pZ ' vary substantially as a function of element number Z = N, in contrast to the standard "rule of thumb" that pZ = 2 and pZ ' = 1 . Remarkably, we find that the polarizability and C6 exponents p' and p are related by p' ≈ p - 0.615 rather than the expected p' ≈ p/2. Results are largely independent of the form of the confining potential (harmonic, cubic, and quartic potentials are considered) and kernel approximation, justifying this analysis.

Microstructural investigation of Sr-modified Al-15 wt%Si alloys in the range from micrometer to atomic scale.

PubMed

Timpel, M; Wanderka, N; Vinod Kumar, G S; Banhart, J

2011-05-01

Strontium-modified Al-15 wt%Si casting alloys were investigated after 5 and 60 min of melt holding. The eutectic microstructures were studied using complementary methods at different length scales: focused ion beam-energy selective backscattered tomography, transmission electron microscopy and 3D atom probe. Whereas the samples after 5 min of melt holding show that the structure of eutectic Si changes into a fine fibrous morphology, the increase of prolonged melt holding (60 min) leads to the loss of Sr within the alloy with an evolution of an unmodified eutectic microstructure displaying coarse interconnected Si plates. Strontium was found at the Al/Si eutectic interfaces on the side of the eutectic Al region, measured by 3D atom probe. The new results obtained using 3D atom probe shed light on the location of Sr within the Al-Si eutectic microstructure. Copyright © 2010 Elsevier B.V. All rights reserved.

Coke formation in a zeolite crystal during the methanol-to-hydrocarbons reaction as studied with atom probe tomography

DOE PAGES

Schmidt, Joel E.; Poplawsky, Jonathan D.; Mazumder, Baishakhi; ...

2016-08-03

Understanding the formation of carbon deposits in zeolites is vital to developing new, superior materials for various applications, including oil and gas conversion processes. Herein, atom probe tomography (APT) has been used to spatially resolve the 3D compositional changes at the sub-nm length scale in a single zeolite ZSM-5 crystal, which has been partially deactivated by the methanol-to-hydrocarbons reaction using 13C-labeled methanol. The results reveal the formation of coke in agglomerates that span length scales from tens of nanometers to atomic clusters with a median size of 30–60 13C atoms. These clusters correlate with local increases in Brønsted acid sitemore » density, demonstrating that the formation of the first deactivating coke precursor molecules occurs in nanoscopic regions enriched in aluminum. Here, this nanoscale correlation underscores the importance of carefully engineering materials to suppress detrimental coke formation.« less

Atomic oxygen production scaling in a nanosecond-pulsed externally grounded dielectric barrier plasma jet

NASA Astrophysics Data System (ADS)

Sands, Brian; Schmidt, Jacob; Ganguly, Biswa; Scofield, James

2014-10-01

Atomic oxygen production is studied in a capillary dielectric barrier plasma jet that is externally grounded and driven with a 20-ns risetime positive unipolar pulsed voltage at pulse repetition rates up to 25 kHz. The power coupled to the discharge can be easily increased by increasing the pulse repetition rate. At a critical turnover frequency, determined by the net energy density coupled to the discharge, the plasma chemistry abruptly changes. This is indicated by increased plasma conductance and a transition in reactive oxygen species production from an ozone-dominated production regime below the turnover frequency to atomic-oxygen-dominated production at higher pulse rates. Here, we characterize atomic oxygen production scaling using spatially- and temporally-resolved two-photon absorption laser-induced-fluorescence (TALIF). Quantitative results are obtained via calibration with xenon using a similar laser excitation and collection system. These results are compared with quantitative ozone and discharge power measurements using a helium gas flow with oxygen admixtures up to 3%.

Postprocessing Algorithm for Driving Conventional Scanning Tunneling Microscope at Fast Scan Rates.

PubMed

Zhang, Hao; Li, Xianqi; Chen, Yunmei; Park, Jewook; Li, An-Ping; Zhang, X-G

2017-01-01

We present an image postprocessing framework for Scanning Tunneling Microscope (STM) to reduce the strong spurious oscillations and scan line noise at fast scan rates and preserve the features, allowing an order of magnitude increase in the scan rate without upgrading the hardware. The proposed method consists of two steps for large scale images and four steps for atomic scale images. For large scale images, we first apply for each line an image registration method to align the forward and backward scans of the same line. In the second step we apply a "rubber band" model which is solved by a novel Constrained Adaptive and Iterative Filtering Algorithm (CIAFA). The numerical results on measurement from copper(111) surface indicate the processed images are comparable in accuracy to data obtained with a slow scan rate, but are free of the scan drift error commonly seen in slow scan data. For atomic scale images, an additional first step to remove line-by-line strong background fluctuations and a fourth step of replacing the postprocessed image by its ranking map as the final atomic resolution image are required. The resulting image restores the lattice image that is nearly undetectable in the original fast scan data.

Tomography of a Probe Potential Using Atomic Sensors on Graphene.

PubMed

Wyrick, Jonathan; Natterer, Fabian D; Zhao, Yue; Watanabe, Kenji; Taniguchi, Takashi; Cullen, William G; Zhitenev, Nikolai B; Stroscio, Joseph A

2016-12-27

Our ability to access and explore the quantum world has been greatly advanced by the power of atomic manipulation and local spectroscopy with scanning tunneling and atomic force microscopes, where the key technique is the use of atomically sharp probe tips to interact with an underlying substrate. Here we employ atomic manipulation to modify and quantify the interaction between the probe and the system under study that can strongly affect any measurement in low charge density systems, such as graphene. We transfer Co atoms from a graphene surface onto a probe tip to change and control the probe's physical structure, enabling us to modify the induced potential at a graphene surface. We utilize single Co atoms on a graphene field-effect device as atomic scale sensors to quantitatively map the modified potential exerted by the scanning probe over the whole relevant spatial and energy range.

Radical Chemistry and Charge Manipulation with an Atomic Force Microscope

NASA Astrophysics Data System (ADS)

Gross, Leo

The fuctionalization of tips by atomic manipulation dramatically increased the resolution of atomic force microscopy (AFM). The combination of high-resolution AFM with atomic manipulation now offers the unprecedented possibility to custom-design individual molecules by making and breaking bonds with the tip of the microscope and directly characterizing the products on the atomic scale. We recently applied this technique to generate and study reaction intermediates and to investigate chemical reactions trigged by atomic manipulation. We formed diradicals by dissociating halogen atoms and then reversibly triggered ring-opening and -closing reactions via atomic manipulation, allowing us to switch and control the molecule's reactivity, magnetic and optical properties. Additional information about charge states and charge distributions can be obtained by Kelvin probe force spectroscopy. On multilayer insulating films we investigated single-electron attachment, detachment and transfer between individual molecules. EU ERC AMSEL (682144), EU project PAMS (610446).

Programmable solid state atom sources for nanofabrication.

PubMed

Han, Han; Imboden, Matthias; Stark, Thomas; del Corro, Pablo G; Pardo, Flavio; Bolle, Cristian A; Lally, Richard W; Bishop, David J

2015-06-28

In this paper we discuss the development of a MEMS-based solid state atom source that can provide controllable atom deposition ranging over eight orders of magnitude, from ten atoms per square micron up to hundreds of atomic layers, on a target ∼1 mm away. Using a micron-scale silicon plate as a thermal evaporation source we demonstrate the deposition of indium, silver, gold, copper, iron, aluminum, lead and tin. Because of their small sizes and rapid thermal response times, pulse width modulation techniques are a powerful way to control the atomic flux. Pulsing the source with precise voltages and timing provides control in terms of when and how many atoms get deposited. By arranging many of these devices into an array, one has a multi-material, programmable solid state evaporation source. These micro atom sources are a complementary technology that can enhance the capability of a variety of nano-fabrication techniques.

Deterministically Entangling Two Remote Atomic Ensembles via Light-Atom Mixed Entanglement Swapping

PubMed Central

Liu, Yanhong; Yan, Zhihui; Jia, Xiaojun; Xie, Changde

2016-01-01

Entanglement of two distant macroscopic objects is a key element for implementing large-scale quantum networks consisting of quantum channels and quantum nodes. Entanglement swapping can entangle two spatially separated quantum systems without direct interaction. Here we propose a scheme of deterministically entangling two remote atomic ensembles via continuous-variable entanglement swapping between two independent quantum systems involving light and atoms. Each of two stationary atomic ensembles placed at two remote nodes in a quantum network is prepared to a mixed entangled state of light and atoms respectively. Then, the entanglement swapping is unconditionally implemented between the two prepared quantum systems by means of the balanced homodyne detection of light and the feedback of the measured results. Finally, the established entanglement between two macroscopic atomic ensembles is verified by the inseparability criterion of correlation variances between two anti-Stokes optical beams respectively coming from the two atomic ensembles. PMID:27165122

Implementation of highly parallel and large scale GW calculations within the OpenAtom software

NASA Astrophysics Data System (ADS)

Ismail-Beigi, Sohrab

The need to describe electronic excitations with better accuracy than provided by band structures produced by Density Functional Theory (DFT) has been a long-term enterprise for the computational condensed matter and materials theory communities. In some cases, appropriate theoretical frameworks have existed for some time but have been difficult to apply widely due to computational cost. For example, the GW approximation incorporates a great deal of important non-local and dynamical electronic interaction effects but has been too computationally expensive for routine use in large materials simulations. OpenAtom is an open source massively parallel ab initiodensity functional software package based on plane waves and pseudopotentials (http://charm.cs.uiuc.edu/OpenAtom/) that takes advantage of the Charm + + parallel framework. At present, it is developed via a three-way collaboration, funded by an NSF SI2-SSI grant (ACI-1339804), between Yale (Ismail-Beigi), IBM T. J. Watson (Glenn Martyna) and the University of Illinois at Urbana Champaign (Laxmikant Kale). We will describe the project and our current approach towards implementing large scale GW calculations with OpenAtom. Potential applications of large scale parallel GW software for problems involving electronic excitations in semiconductor and/or metal oxide systems will be also be pointed out.

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method

DOE PAGES

Lu, Ping; Moya, Jaime M.; Yuan, Renliang; ...

2018-03-01

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maximamore » (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K+L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. In conclusion, with increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping.« less

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method

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

Lu, Ping; Moya, Jaime M.; Yuan, Renliang

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maximamore » (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K+L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. In conclusion, with increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping.« less

Studies of x-ray localization and thickness dependence in atomic-scale elemental mapping by STEM energy-dispersive x-ray spectroscopy using single-frame scanning method.

PubMed

Lu, Ping; Moya, Jaime M; Yuan, Renliang; Zuo, Jian Min

2018-03-01

The delocalization of x-ray signals limits the spatial resolution in atomic-scale elemental mapping by scanning transmission electron microscopy (STEM) using energy-dispersive x-ray spectroscopy (EDS). In this study, using a SrTiO 3 [001] single crystal, we show that the x-ray localization to atomic columns is strongly dependent on crystal thickness, and a thin crystal is critical for improving the spatial resolution in atomic-scale EDS mapping. A single-frame scanning technique is used in this study instead of the multiple-frame technique to avoid peak broadening due to tracking error. The strong thickness dependence is realized by measuring the full width at half maxima (FWHM) as well as the peak-to-valley (P/V) ratio of the EDS profiles for Ti K and Sr K + L, obtained at several crystal thicknesses. A FWHM of about 0.16 nm and a P/V ratio of greater than 7.0 are obtained for Ti K for a crystal thickness of less than 20 nm. With increasing crystal thickness, the FWHM and P/V ratio increases and decreases, respectively, indicating the advantage of using a thin crystal for high-resolution EDS mapping. Published by Elsevier B.V.

Atomic-Scale Nuclear Spin Imaging Using Quantum-Assisted Sensors in Diamond

NASA Astrophysics Data System (ADS)

Ajoy, A.; Bissbort, U.; Lukin, M. D.; Walsworth, R. L.; Cappellaro, P.

2015-01-01

Nuclear spin imaging at the atomic level is essential for the understanding of fundamental biological phenomena and for applications such as drug discovery. The advent of novel nanoscale sensors promises to achieve the long-standing goal of single-protein, high spatial-resolution structure determination under ambient conditions. In particular, quantum sensors based on the spin-dependent photoluminescence of nitrogen-vacancy (NV) centers in diamond have recently been used to detect nanoscale ensembles of external nuclear spins. While NV sensitivity is approaching single-spin levels, extracting relevant information from a very complex structure is a further challenge since it requires not only the ability to sense the magnetic field of an isolated nuclear spin but also to achieve atomic-scale spatial resolution. Here, we propose a method that, by exploiting the coupling of the NV center to an intrinsic quantum memory associated with the nitrogen nuclear spin, can reach a tenfold improvement in spatial resolution, down to atomic scales. The spatial resolution enhancement is achieved through coherent control of the sensor spin, which creates a dynamic frequency filter selecting only a few nuclear spins at a time. We propose and analyze a protocol that would allow not only sensing individual spins in a complex biomolecule, but also unraveling couplings among them, thus elucidating local characteristics of the molecule structure.

The national ignition facility and atomic data

NASA Astrophysics Data System (ADS)

Crandall, David H.

1998-07-01

The National Ignition Facility (NIF) is under construction, capping over 25 years of development of the inertial confinement fusion concept by providing the facility to obtain fusion ignition in the laboratory for the first time. The NIF is a 192 beam glass laser to provide energy controlled in space and time so that a millimeter-scale capsule containing deuterium and tritium can be compressed to fusion conditions. Light transport, conversion of light in frequency, interaction of light with matter in solid and plasma forms, and diagnostics of extreme material conditions on small scale all use atomic data in preparing for use of the NIF. The NIF will provide opportunity to make measurements of atomic data in extreme physical environments related to fusion energy, nuclear weapon detonation, and astrophysics. The first laser beams of NIF should be operational in 2001 and the full facility completed at the end of 2003. NIF is to provide 1.8 megajoule of blue light on fusion targets and is intended to achieve fusion ignition by about the end of 2007. Today's inertial fusion development activities use atomic data to design and predict fusion capsule performance and in non-fusion applications to analyze radiation transport and radiation effects on matter. Conditions investigated involve radiation temperature of hundreds of eV, pressures up to gigabars and time scales of femptoseconds.

History of the recommended atomic-weight values from 1882 to 1997: A comparision of differences from current values to the estimated uncertainties of earlier values.

USGS Publications Warehouse

Coplen, T.B.; Peiser, H.S.

1998-01-01

International commissions and national committees for atomic weights (mean relative atomic masses) have recommended regularly updated, best values for these atomic weights as applicable to terrestrial sources of the chemical elements. Presented here is a historically complete listing starting with the values in F. W. Clarke's 1882 recalculation, followed by the recommended values in the annual reports of the American Chemical Society's Atomic Weights Commission. From 1903, an International Commission published such reports and its values (scaled to an atomic weight of 16 for oxygen) are here used in preference to those of national committees of Britain, Germany, Spain, Switzerland, and the U.S.A. We have, however, made scaling adjustments from Ar(16O) to Ar(12C) where not negligible. From 1920, this International Commission constituted itself under the International Union of Pure and Applied Chemistry (IUPAC). Since then, IUPAC has published reports (mostly biennially) listing the recommended atomic weights, which are reproduced here. Since 1979, these values have been called the "standard atomic weights" and, since 1969, all values have been published, with their estimated uncertainties. Few of the earlier values were published with uncertainties. Nevertheless, we assessed such uncertainties on the basis of our understanding of the likely contemporary judgement of the values' reliability. While neglecting remaining uncertainties of 1997 values, we derive "differences" and a retrospective index of reliability of atomic-weight values in relation to assessments of uncertainties at the time of their publication. A striking improvement in reliability appears to have been achieved since the commissions have imposed upon themselves the rule of recording estimated uncertainties from all recognized sources of error.

Atomic-scale evidence for displacive disorder in bismuth zinc niobate pyrochlore.

PubMed

Jia, Chun-Lin; Jin, Lei; Chen, Yue-Hua; Urban, Knut W; Wang, Hong

2018-05-30

Pyrochlores characterized by the chemical formula A 2 B 2 O 7 form an extended class of materials with interesting physical and chemical properties. The compound Bi 1.5 ZnNb 1.5 O 7 is prototypical. Its excellent dielectric properties make it attractive, e.g. for capacitors, tunable microwave devices and electric-energy storage equipment. Bi 1.5 ZnNb 1.5 O 7 shows an intriguing frequency-dispersive dielectric relaxation at 50 K ≤ T ≤ 250 K, which has been studied intensively but is still not fully understood. In this first study on a pyrochlore by atomic-resolution transmission electron microscopy we observe the Bi atoms on A sites since, due to their low nuclear charge, the contribution of Zn atoms to the contrast of these sites is negligible. We find in our [1¯00]and [112] oriented images that the position of the atomic intensity maxima do not coincide with the projected Wyckoff positions of the basic pyrochlore lattice. This supplies atomic-scale evidence for displacive disorder on split A-type sites. The Bi atoms are sessile, only occasionally we observe in time sequences of images jumps between individual split-site positions. The apertaining jump rate of the order of 0.1-1 Hz is by ten orders of magnitude lower than the values derived in the literature from Arrhenius plots of the low-temperature dielectric relaxation data. It is argued that these jumps are radiation induced. Therefore our observations are ruling out a contribution of Bi-atom jumps to low-temperature dielectric A sites-related relaxation. It is suggested that this relaxation is mediated by jumps of Zn atoms. Copyright © 2018. Published by Elsevier B.V.

An all-atom structure-based potential for proteins: bridging minimal models with all-atom empirical forcefields.

PubMed

Whitford, Paul C; Noel, Jeffrey K; Gosavi, Shachi; Schug, Alexander; Sanbonmatsu, Kevin Y; Onuchic, José N

2009-05-01

Protein dynamics take place on many time and length scales. Coarse-grained structure-based (Go) models utilize the funneled energy landscape theory of protein folding to provide an understanding of both long time and long length scale dynamics. All-atom empirical forcefields with explicit solvent can elucidate our understanding of short time dynamics with high energetic and structural resolution. Thus, structure-based models with atomic details included can be used to bridge our understanding between these two approaches. We report on the robustness of folding mechanisms in one such all-atom model. Results for the B domain of Protein A, the SH3 domain of C-Src Kinase, and Chymotrypsin Inhibitor 2 are reported. The interplay between side chain packing and backbone folding is explored. We also compare this model to a C(alpha) structure-based model and an all-atom empirical forcefield. Key findings include: (1) backbone collapse is accompanied by partial side chain packing in a cooperative transition and residual side chain packing occurs gradually with decreasing temperature, (2) folding mechanisms are robust to variations of the energetic parameters, (3) protein folding free-energy barriers can be manipulated through parametric modifications, (4) the global folding mechanisms in a C(alpha) model and the all-atom model agree, although differences can be attributed to energetic heterogeneity in the all-atom model, and (5) proline residues have significant effects on folding mechanisms, independent of isomerization effects. Because this structure-based model has atomic resolution, this work lays the foundation for future studies to probe the contributions of specific energetic factors on protein folding and function.

An All-atom Structure-Based Potential for Proteins: Bridging Minimal Models with All-atom Empirical Forcefields

PubMed Central

Whitford, Paul C.; Noel, Jeffrey K.; Gosavi, Shachi; Schug, Alexander; Sanbonmatsu, Kevin Y.; Onuchic, José N.

2012-01-01

Protein dynamics take place on many time and length scales. Coarse-grained structure-based (Gō) models utilize the funneled energy landscape theory of protein folding to provide an understanding of both long time and long length scale dynamics. All-atom empirical forcefields with explicit solvent can elucidate our understanding of short time dynamics with high energetic and structural resolution. Thus, structure-based models with atomic details included can be used to bridge our understanding between these two approaches. We report on the robustness of folding mechanisms in one such all-atom model. Results for the B domain of Protein A, the SH3 domain of C-Src Kinase and Chymotrypsin Inhibitor 2 are reported. The interplay between side chain packing and backbone folding is explored. We also compare this model to a Cα structure-based model and an all-atom empirical forcefield. Key findings include 1) backbone collapse is accompanied by partial side chain packing in a cooperative transition and residual side chain packing occurs gradually with decreasing temperature 2) folding mechanisms are robust to variations of the energetic parameters 3) protein folding free energy barriers can be manipulated through parametric modifications 4) the global folding mechanisms in a Cα model and the all-atom model agree, although differences can be attributed to energetic heterogeneity in the all-atom model 5) proline residues have significant effects on folding mechanisms, independent of isomerization effects. Since this structure-based model has atomic resolution, this work lays the foundation for future studies to probe the contributions of specific energetic factors on protein folding and function. PMID:18837035

Understanding arsenic incorporation in CdTe with atom probe tomography

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

Burton, G. L.; Diercks, D. R.; Ogedengbe, O. S.

Overcoming the open circuit voltage deficiency in Cadmium Telluride (CdTe) photovoltaics may be achieved by increasing p-type doping while maintaining or increasing minority carrier lifetimes. Here, routes to higher doping efficiency using arsenic are explored through an atomic scale understanding of dopant incorporation limits and activation in molecular beam epitaxy grown CdTe layers. Atom probe tomography reveals spatial segregation into nanometer scale clusters containing > 60 at% As for samples with arsenic incorporation levels greater than 7-8 x 10^17 cm-3. The presence of arsenic clusters was accompanied by crystal quality degradation, particularly the introduction of arsenic-enriched extended defects. Post-growth annealingmore » treatments are shown to increase the size of the As precipitates and the amount of As within the precipitates.« less

Atomicrex—a general purpose tool for the construction of atomic interaction models

NASA Astrophysics Data System (ADS)

Stukowski, Alexander; Fransson, Erik; Mock, Markus; Erhart, Paul

2017-07-01

We introduce atomicrex, an open-source code for constructing interatomic potentials as well as more general types of atomic-scale models. Such effective models are required to simulate extended materials structures comprising many thousands of atoms or more, because electronic structure methods become computationally too expensive at this scale. atomicrex covers a wide range of interatomic potential types and fulfills many needs in atomistic model development. As inputs, it supports experimental property values as well as ab initio energies and forces, to which models can be fitted using various optimization algorithms. The open architecture of atomicrex allows it to be used in custom model development scenarios beyond classical interatomic potentials while thanks to its Python interface it can be readily integrated e.g., with electronic structure calculations or machine learning algorithms.

Understanding arsenic incorporation in CdTe with atom probe tomography

DOE PAGES

Burton, G. L.; Diercks, D. R.; Ogedengbe, O. S.; ...

2018-03-22

Overcoming the open circuit voltage deficiency in Cadmium Telluride (CdTe) photovoltaics may be achieved by increasing p-type doping while maintaining or increasing minority carrier lifetimes. Here, routes to higher doping efficiency using arsenic are explored through an atomic scale understanding of dopant incorporation limits and activation in molecular beam epitaxy grown CdTe layers. Atom probe tomography reveals spatial segregation into nanometer scale clusters containing > 60 at% As for samples with arsenic incorporation levels greater than 7-8 x 10^17 cm-3. The presence of arsenic clusters was accompanied by crystal quality degradation, particularly the introduction of arsenic-enriched extended defects. Post-growth annealingmore » treatments are shown to increase the size of the As precipitates and the amount of As within the precipitates.« less

Spectroscopic imaging, diffraction, and holography with x-ray photoemission

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

Not Available

1992-02-01

X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimentalmore » fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.« less

Dislocation nucleation facilitated by atomic segregation

NASA Astrophysics Data System (ADS)

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; Zakharov, Dmitri; Wiezorek, Jörg M. K.; Su, Dong; Yin, Qiyue; Li, Jonathan; Liu, Zhenyu; Stach, Eric A.; Yang, Judith C.; Qi, Liang; Wang, Guofeng; Zhou, Guangwen

2018-01-01

Surface segregation--the enrichment of one element at the surface, relative to the bulk--is ubiquitous to multi-component materials. Using the example of a Cu-Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface diffusion and trapping process. The resulting chemically ordered surface regions acts as an effective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. These observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.

Description of atomic burials in compact globular proteins by Fermi-Dirac probability distributions.

PubMed

Gomes, Antonio L C; de Rezende, Júlia R; Pereira de Araújo, Antônio F; Shakhnovich, Eugene I

2007-02-01

We perform a statistical analysis of atomic distributions as a function of the distance R from the molecular geometrical center in a nonredundant set of compact globular proteins. The number of atoms increases quadratically for small R, indicating a constant average density inside the core, reaches a maximum at a size-dependent distance R(max), and falls rapidly for larger R. The empirical curves turn out to be consistent with the volume increase of spherical concentric solid shells and a Fermi-Dirac distribution in which the distance R plays the role of an effective atomic energy epsilon(R) = R. The effective chemical potential mu governing the distribution increases with the number of residues, reflecting the size of the protein globule, while the temperature parameter beta decreases. Interestingly, betamu is not as strongly dependent on protein size and appears to be tuned to maintain approximately half of the atoms in the high density interior and the other half in the exterior region of rapidly decreasing density. A normalized size-independent distribution was obtained for the atomic probability as a function of the reduced distance, r = R/R(g), where R(g) is the radius of gyration. The global normalized Fermi distribution, F(r), can be reasonably decomposed in Fermi-like subdistributions for different atomic types tau, F(tau)(r), with Sigma(tau)F(tau)(r) = F(r), which depend on two additional parameters mu(tau) and h(tau). The chemical potential mu(tau) affects a scaling prefactor and depends on the overall frequency of the corresponding atomic type, while the maximum position of the subdistribution is determined by h(tau), which appears in a type-dependent atomic effective energy, epsilon(tau)(r) = h(tau)r, and is strongly correlated to available hydrophobicity scales. Better adjustments are obtained when the effective energy is not assumed to be necessarily linear, or epsilon(tau)*(r) = h(tau)*r(alpha,), in which case a correlation with hydrophobicity scales is found for the product alpha(tau)h(tau)*. These results indicate that compact globular proteins are consistent with a thermodynamic system governed by hydrophobic-like energy functions, with reduced distances from the geometrical center, reflecting atomic burials, and provide a conceptual framework for the eventual prediction from sequence of a few parameters from which whole atomic probability distributions and potentials of mean force can be reconstructed. Copyright 2006 Wiley-Liss, Inc.

Towards atomically precise manipulation of 2D nanostructures in the electron microscope

NASA Astrophysics Data System (ADS)

Susi, Toma; Kepaptsoglou, Demie; Lin, Yung-Chang; Ramasse, Quentin M.; Meyer, Jannik C.; Suenaga, Kazu; Kotakoski, Jani

2017-12-01

Despite decades of research, the ultimate goal of nanotechnology—top-down manipulation of individual atoms—has been directly achieved with only one technique: scanning probe microscopy. In this review, we demonstrate that scanning transmission electron microscopy (STEM) is emerging as an alternative method for the direct assembly of nanostructures, with possible applications in plasmonics, quantum technologies, and materials science. Atomically precise manipulation with STEM relies on recent advances in instrumentation that have enabled non-destructive atomic-resolution imaging at lower electron energies. While momentum transfer from highly energetic electrons often leads to atom ejection, interesting dynamics can be induced when the transferable kinetic energies are comparable to bond strengths in the material. Operating in this regime, very recent experiments have revealed the potential for single-atom manipulation using the Ångström-sized electron beam. To truly enable control, however, it is vital to understand the relevant atomic-scale phenomena through accurate dynamical simulations. Although excellent agreement between experiment and theory for the specific case of atomic displacements from graphene has been recently achieved using density functional theory molecular dynamics, in many other cases quantitative accuracy remains a challenge. We provide a comprehensive reanalysis of available experimental data on beam-driven dynamics in light of the state-of-the-art in simulations, and identify important targets for improvement. Overall, the modern electron microscope has great potential to become an atom-scale fabrication platform, especially for covalently bonded 2D nanostructures. We review the developments that have made this possible, argue that graphene is an ideal starting material, and assess the main challenges moving forward.

Atomic-Level Sculpting of Crystalline Oxides: Toward Bulk Nanofabrication with Single Atomic Plane Precision

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

Jesse, Stephen; He, Qian; Lupini, Andrew R.

2015-10-19

We demonstrate atomic-level sculpting of 3D crystalline oxide nanostructures from metastable amorphous layer in a scanning transmission electron microscope (STEM). Strontium titanate nanostructures grow epitaxially from the crystalline substrate following the beam path. This method can be used for fabricating crystalline structures as small as 1-2 nm and the process can be observed in situ with atomic resolution. We further demonstrate fabrication of arbitrary shape structures via control of the position and scan speed of the electron beam. Combined with broad availability of the atomic resolved electron microscopy platforms, these observations suggest the feasibility of large scale implementation of bulkmore » atomic-level fabrication as a new enabling tool of nanoscience and technology, providing a bottom-up, atomic-level complement to 3D printing.« less

Dose limited reliability of quantitative annular dark field scanning transmission electron microscopy for nano-particle atom-counting.

PubMed

De Backer, A; Martinez, G T; MacArthur, K E; Jones, L; Béché, A; Nellist, P D; Van Aert, S

2015-04-01

Quantitative annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique to characterise nano-particles on an atomic scale. Because of their limited size and beam sensitivity, the atomic structure of such particles may become extremely challenging to determine. Therefore keeping the incoming electron dose to a minimum is important. However, this may reduce the reliability of quantitative ADF STEM which will here be demonstrated for nano-particle atom-counting. Based on experimental ADF STEM images of a real industrial catalyst, we discuss the limits for counting the number of atoms in a projected atomic column with single atom sensitivity. We diagnose these limits by combining a thorough statistical method and detailed image simulations. Copyright © 2014 Elsevier B.V. All rights reserved.

Two-Dimensional Arrays of Neutral Atom Quantum Gates

DTIC Science & Technology

2012-10-20

Box 12211 Research Triangle Park, NC 27709-2211 15. SUBJECT TERMS quantum computing , Rydberg atoms, entanglement Mark Saffman University of...Nature Physics, (01 2009): 0. doi: 10.1038/nphys1178 10/19/2012 9.00 K. Mølmer, M. Saffman. Scaling the neutral-atom Rydberg gate quantum computer by...Saffman, E. Brion, K. Mølmer. Error Correction in Ensemble Registers for Quantum Repeaters and Quantum Computers , Physical Review Letters, (3 2008): 0

Hydrogen effects in corrosion: discussion

NASA Astrophysics Data System (ADS)

Stopher, Miles A.; Simpson, E. Luke

2017-06-01

This session contained talks on the characterization of hydrogen-enhanced corrosion of steels and nickel-based alloys, emphasizing the different observations across length scales, from atomic-scale spectrographic to macro-scale fractographic examinations. This article is part of the themed issue 'The challenges of hydrogen and metals'.

Recurrence spectra of a helium atom in parallel electric and magnetic fields

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

Wang, Dehua; Department of Mathematics and Physics, Shandong Architecture and Engineering Institute, Jinan 250014, People's Republic of China; Ding, Shiliang

2003-08-01

A model potential for the general Rydberg atom is put forward, which includes not only the Coulomb interaction potential and the core-attractive potential, but also the exchange potential between the excited electron and other electrons. Using the region-splitting consistent and iterative method, we calculated the scaled recurrence spectra of the helium atom in parallel electric and magnetic fields and the closed orbits in the corresponding classical system have also been obtained. In order to remove the Coulomb singularity of the classical motion of Hamiltonian, we implement the Kustaanheimo-Stiefel transformation, which transforms the system from a three-dimensional to a four-dimensional one.more » The Fourier-transformed spectra of the helium atom has allowed direct comparison between peaks in such a plot and the scaled action values of closed orbits. Considering the exchange potential, the number of the closed orbits increased, which led to more peaks in the recurrence spectra. The results are compared with those of the hydrogen case, which shows that the core-scattered effects and the electron exchange potential play an important role in the multielectron Rydberg atom.« less