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Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS 2 and WS 2

Here, we present in-depth measurements of the electronic band structure of the transition-metal dichalcogenides (TMDs) MoS 2 and WS 2 using angle-resolved photoemission spectroscopy, with focus on the energy splittings in their valence bands at the K point of the Brillouin zone. Experimental results are interpreted in terms of our parallel first-principles computations. We find that interlayer interaction only weakly contributes to the splitting in bulk WS 2 , resolving previous debates on its relative strength. We additionally find that across a range of TMDs, the band gap generally decreases with increasing magnitude of the valence-band splitting, molecular mass, or ratio of the out-of-plane to in-plane lattice constant. Our findings offer an important reference for future studies of electronic properties of MoS 2 and WS 2 and their applications in spintronics and valleytronics devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Operational performance of a low cost, air mass 2 solar simulator

The present work describes briefly the design, construction, and operation of a low cost air mass 2 solar simulator, and then presents the performance characteristics of a modified version in terms of total irradiance, uniformity of irradiance, spectral distribution, and beam subtense angle. The simulator consists of an array of 143 tungsten halogen lamps and a corresponding array of 143 Fresnel lenses parallel and in front of the lenses, so that a 1.2 m by 1.2 m area is irradiated with uniform collimated irradiance. The performance of this 143-lamp version is compared with that of the 12-lamp prototype. It was found that the larger design required a lower lamp voltage for an equivalent average total irradiance in the test plane. However, distribution of total irradiance was not as good for the large simulator.

Yass, K.↗

Noise generation by a finite span swept airfoil

An analysis is developed for the noise generated by a convected gust interacting with a single swept airfoil. The airfoil spans a channel with infinite parallel walls which contains a uniform subsonic mean flow. High frequency gusts, for which the noise generation is concentrated at the airfoil leading edge, are considered. The solution utilizes the Wiener-Hopf technique applied to the equations in nonorthogonal coordinates. Closed form expressions for the farfield acoustic pressure are obtained. The convected gust is assumed to be a plane wave, i.e., the lowest order spanwise mode. Because of the swept leading edge, this convected gust generates acoustic modes of all orders. At high frequencies and low Mach numbers, moderate sweep angles produce substantial noise reductions. The residual acoustic energy is carried mainly by the higher modes. The airfoil sweep also modulates the basic high frequency farfield directivity, producing lobed patterns. The angular modulation of the directivity patterns is most pronounced for the lower order modes.

Kerschen, E. J.↗

Launch Vehicle Design Process Description and Training Formulation

A primary NASA priority is to reduce the cost and improve the effectiveness of launching payloads into space. As a consequence, significant improvements are being sought in the effectiveness, cost, and schedule of the launch vehicle design process. In order to provide a basis for understanding and improving the current design process, a model has been developed for this complex, interactive process, as reported in the references. This model requires further expansion in some specific design functions. Also, a training course for less-experienced engineers is needed to provide understanding of the process, to provide guidance for its effective implementation, and to provide a basis for major improvements in launch vehicle design process technology. The objective of this activity is to expand the description of the design process to include all pertinent design functions, and to develop a detailed outline of a training course on the design process for launch vehicles for use in educating engineers whose experience with the process has been minimal. Building on a previously-developed partial design process description, parallel sections have been written for the Avionics Design Function, the Materials Design Function, and the Manufacturing Design Function. Upon inclusion of these results, the total process description will be released as a NASA TP. The design function sections herein include descriptions of the design function responsibilities, interfaces, interactive processes, decisions (gates), and tasks. Associated figures include design function planes, gates, and tasks, along with other pertinent graphics. Also included is an expanded discussion of how the design process is divided, or compartmentalized, into manageable parts to achieve efficient and effective design. A detailed outline for an intensive two-day course on the launch vehicle design process has been developed herein, and is available for further expansion. The course is in an interactive lecture/workshop format to engage the participants in active learning. The course addresses the breadth and depth of the process, requirements, phases, participants, multidisciplinary aspects, tasks, critical elements,as well as providing guidance from previous lessons learned. The participants are led to develop their own understanding of the current process and how it can be improved. Included are course objectives and a session-by-session outline of course content. Also included is an initial identification of visual aid requirements.

Atherton, James↗

Microwave Kinetic Inductance Detector with Selective Polarization Coupling

A conventional low-noise detector requires a technique to both absorb incident power and convert it to an electrical signal at cryogenic temperatures. This innovation combines low-noise detector and readout functionality into one device while maintaining high absorption, controlled polarization sensitivity, and broadband detection capability. The resulting far-infrared detectors can be read out with a simple approach, which is compact and minimizes thermal loading. The proposed microwave kinetic inductance detector (MKID) consists of three basic elements. The first is the absorptive section in which the incident power is coupled to a superconducting resonator at far-infrared frequency above its superconducting critical frequency (where superconductor becomes normal conductor). This absorber's shape effectively absorbs signals in the desired polarization state and is resonant at the radio frequency (RF) used for readout of the device. Control over the metal film used in the absorber allows realization of structures with either a 50% broadband or 100% resonance absorptance over a 30% fractional bandwidth. The second element is a microwave resonator - which is realized from the thin metal films used to make the absorber as transmission lines - whose resonance frequency changes due to a variation in its kinetic inductance. The resonator's kinetic inductance is a function of the power absorbed by the device. A low-loss dielectric (mono-crystalline silicon) is used in a parallel-plate transmission line structure to realize the desired superconducting resonators. There is negligible coupling among the adjacent elements used to define the polarization sensitivity of each detector. The final component of the device is a microwave transmission line, which is coupled to the resonator, and allows detection of changes in resonance frequency for each detector in the focal plane array. The spiral shape of the detector's absorber allows incident power with two polarizations to couple to the detector equally. A stepped impedance resonator was used that allows the incident power absorbed in the detecting membrane area to be uniformly distributed in the detector's transmission line at the RF readout frequency. This maximizes the sensitivity of the detector. The signal is read out via a frequency multiplexing technique that requires a minimum number of interface transmission lines for readout. This reduces the packaging complexity and coupling to the device's thermal environment.

Wollack, Edward↗

Characterization of Al-Cu-Mg-Ag Alloy RX226-T8 Plate

Aluminum-copper-magnesium-silver (Al-Cu-Mg-Ag) alloys that were developed for thermal stability also offer attractive ambient temperature strength-toughness combinations, and therefore, can be considered for a broad range of airframe structural applications. The current study evaluated Al-Cu-Mg-Ag alloy RX226-T8 in plate gages and compared performance with sheet gage alloys of similar composition. Uniaxial tensile properties, plane strain initiation fracture toughness, and plane stress tearing resistance of RX226-T8 were examined at ambient temperature as a function of orientation and thickness location in the plate. Properties were measured near the surface and at the mid-plane of the plate. Tensile strengths were essentially isotropic, with variations in yield and ultimate tensile strengths of less than 2% as a function of orientation and through-thickness location. However, ductility varied by more than 15% with orientation. Fracture toughness was generally higher at the mid-plane and greater for the L-T orientation, although the differences were small near the surface of the plate. Metallurgical analysis indicated that the microstructure was primarily recrystallized with weak texture and was uniform through the plate with the exception of a fine-grained layer near the surface of the plate. Scanning electron microscope analysis revealed Al-Cu-Mg second phase particles which varied in composition and were primarily located on grain boundaries parallel to the rolling direction. Fractography of toughness specimens for both plate locations and orientations revealed that fracture occurred predominantly by transgranular microvoid coalescence. Introduction High-strength, low-density Al-Cu-Mg-Ag alloys were initially developed to replace conventional 2000 (Al-Cu-Mg) and 7000 (Al-Zn-Cu-Mg) series aluminum alloys for aircraft structural applications [1]. During the High Speed Civil Transport (HSCT) program, improvements in thermal stability were demonstrated for candidate aircraft wing and fuselage skin materials through the addition of silver to Al-Cu-Mg alloys based on Al 2519 chemistry [2]. Thermal stability of the resulting Al-Cu-Mg-Ag alloys, C415-T8 and C416-T8, was due to co-precipitation of the thermally stable . (AlCu) and ' (Al2Cu) strengthening phases [1-4]. The strength and toughness behavior was investigated for these alloys produced as 0.090-inch thick rolled sheet in the T8 condition and after various thermal exposures. The mechanical properties were shown to be competitive with conventional aircraft alloys, 2519-T8 and 2618-T8 [2]. During the Integral Airframe Structure (IAS) program, advanced aluminum alloys were examined for use in an integrally stiffened airframe structure where the skin and stiffeners would be machined from plate and extruded frames would be mechanically attached (see Figure 1) [5]. Advantages of integrally stiffened structure include reduced part count, and reduced assembly times compared to conventional built-up airframe structure. The near-surface properties of a thick plate are of significance for a machined integrally stiffened airframe structure since this represents the skin location. Properties measured at the mid-plane of the plate are more representative of the stiffener web. RX226 was developed to exploit strength-toughness improvements and thermal stability benefits of Al-Cu-Mg-Ag alloys in plate gages. This study evaluated the microstructure and properties of three gages of plate produced in the T8 condition.

Lach, Cynthia L.↗

Voltage-spike analysis for a free-running parallel inverter

Unwanted and sometimes damaging high-amplitude voltage spikes occur during each half cycle in many transistor saturable-core inverters at the moment when the core saturates and the transistors switch. The analysis shows that spikes are an intrinsic characteristic of certain types of inverters even with negligible leakage inductance and purely resistive load. The small but unavoidable after-saturation inductance of the saturable-core transformer plays an essential role in creating these undesired thigh-voltage spikes. State-plane analysis provides insight into the complex interaction between core and transistors, and shows the circuit parameters upon which the magnitude of these spikes depends.

Lee, F. C. Y.↗

Nonthermal ions and associated magnetic field behavior at a quasi-parallel earth's bow shock

Attention is given to ion and magnetic field measurements at the earth's bow shock from the AMPTE-UKS and -IRM spacecraft, which were examined in high time resolution during a 45-min interval when the field remained closely aligned with the model bow shock normal. Dense ion beams were detected almost exclusively in the midst of short-duration periods of turbulent magnetic field wave activity. Many examples of propagation at large elevation angles relative to the ecliptic plane, which is inconsistent with reflection in the standard model shock configuration, were discovered. The associated waves are elliptically polarized and are preferentially left-handed in the observer's frame of reference, but are less confined to the maximum variance plane than other previously studied foreshock waves. The association of the wave activity with the ion beams suggests that the former may be triggered by an ion-driven instability, and possible candidates are discussed.

Wilkinson, W. P.↗

Nonlinear Electrostatic Steepening of Whistler Waves: The Guiding Factors and Dynamics in Inhomogeneous Systems

Whistler mode chorus waves are particularly important in outer radiation belt dynamics due to their key role in controlling the acceleration and scattering of electrons over a very wide energy range. The efficiency of wave-particle resonant interactions is defined by whistler wave properties which have been described by the approximation of plane linear waves propagating through the cold plasma of the inner magnetosphere. However, recent observations of extremely high-amplitude whistlers suggest the importance of nonlinear wave-particle interactions for the dynamics of the outer radiation belt. Oblique chorus waves observed in the inner magnetosphere often exhibit drastically nonsinusoidal (with significant power in the higher harmonics) waveforms of the parallel electric field, presumably due to the feedback from hot resonant electrons. We have considered the nature and properties of such nonlinear whistler waves observed by the Van Allen Probes and Time History of Events and Macroscale Interactions define during Substorms in the inner magnetosphere, and we show that the significant enhancement of the wave electrostatic component can result from whistler wave coupling with the beam-driven electrostatic mode through the resonant interaction with hot electron beams. Being modulated by a whistler wave, the electron beam generates a driven electrostatic mode significantly enhancing the parallel electric field of the initial whistler wave. Finally, we confirm this mechanism using a self-consistent particle-in-cell simulation. The nonlinear electrostatic component manifests properties of the beam-driven electron acoustic mode and can be responsible for effective electron acceleration in the inhomogeneous magnetic field.

58 GEOSCIENCES↗

High magnetic field induced spin flip/flop behavior and magnetic phase diagram of CuFe{sub 1−x}Ga{sub x}O{sub 2}

The structure and magnetic properties of non-magnetic Ga{sup 3+} ion doped CuFe{sub 1−x}Ga{sub x}O{sub 2} (x=0, 0.03, and 0.05) single crystal samples were investigated. X-ray diffraction patterns analysis confirms that the samples are single-phase crystallizing. Doping effect on the magnetic behavior of the ground state and the field-induced spin flip/flop transitions were detected. The transition temperatures and critical magnetic fields of the spin flip/flop, as well as the magnetic hysteresis directly depend on the Ga{sup 3+} doping level. Such doping effects may associate with the competition between dilution effect (partial release of spin frustration) and the induced local magnetic moment, which is the result of the changed magnetic coupling both inter- and intra-planes of Fe ions. Based on the experimental results, the effects of Ga{sup 3+} doping on the spin flip/flop behavior and a detailed high field magnetic diagram were assumed. - Graphical abstract: Temperature dependence of the critical fields for CuFe{sub 1−x}Ga{sub x}O{sub 2} (x=0, 0.03, 0.05). (a) and (b) The magnetic field's parallel and perpendicular cases respectively. In which, the square, circle and triangular represent x=0, 0.03 and 0.05 respectively. - Highlights: • Single crystal samples of CuFe{sub 1−x}Ga{sub x}O{sub 2} (x=0, 0.03 and 0.05) were grown. • Magnetic field dependence of magnetization was measured in pulsed high magnetic field up to 54 T with different temperatures. • The magnetic field induced multi-step-like transitions were observed in all the single crystal samples. • A detailed magnetic diagram was assumed based on the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quasielastic $\overrightarrow{^{3}He}$ $(\overrightarrow{e},e′)$ asymmetry in the threshold region with a longitudinally polarized target

We report on the measurements of the double-spin asymmetry from electron- 3 He scattering in the threshold region of two- and three-body breakup of 3 He for 4-momentum transfer values of 0.1 and 0.2 (GeV/c) 2 . The measurement was done at Jefferson Lab using a polarized 3 He target with its spin aligned parallel to the beam direction. This asymmetry is sensitive to a combination of spin-dependent response functions not previously measured and may highlight differences in two body forces, meson-exchange currents and final-state interactions. The results of this measurement serve as a test of our understanding of few-body systems. When compared with calculations from plane wave impulse approximation and Faddeev calculations, we found that the latter, which use modern nuclear potentials and prescriptions for meson-exchange currents, demonstrate an overall good agreement with data.

Few-body nuclei↗

Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.

Photosystem I (PS I) has a symmetric structure with two highly similar branches of pigments at the center that are involved in electron transfer, but shows very different efficiency along the two branches. We have determined the structure of cyanobacterial PS I at room temperature (RT) using femtosecond X-ray pulses from an X-ray free electron laser (XFEL) that shows a clear expansion of the entire protein complex in the direction of the membrane plane, when compared to previous cryogenic structures. This trend was observed by complementary datasets taken at multiple XFEL beamlines. In the RT structure of PS I, we also observe conformational differences between the two branches in the reaction center around the secondary electron acceptors A 1A and A 1B . The π-stacked Phe residues are rotated with a more parallel orientation in the A-branch and an almost perpendicular confirmation in the B-branch, and the symmetry breaking PsaB-Trp673 is tilted and further away from A 1A . These changes increase the asymmetry between the branches and may provide insights into the preferential directionality of electron transfer.

59 BASIC BIOLOGICAL SCIENCES↗

Nuclear magnetic resonance investigation of the heavy fermion system Ce 2 CoAl 7 Ge 4

We present here nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements performed on single crystalline ${\mathrm{Ce}}_{2}{\mathrm{CoAl}}_{7}{\mathrm{Ge}}_{4}$, a member of a recently discovered family of heavy fermion materials ${\mathrm{Ce}}_{2}M{\mathrm{Al}}_{7}{\mathrm{Ge}}_{4}$ ($M=\mathrm{Co}$, Ir, Ni, or Pd). Previous measurements indicated a strong Kondo interaction as well as magnetic order below ${T}_{M}=1.8\mathrm{K}$. Our NMR spectral measurements show that the Knight shift $K$ is proportional to the bulk magnetic susceptibility ${\chi}$ at high temperatures. A clear Knight shift anomaly ($K\neg{}{\propto}{\chi}$) is observed at coherence temperatures ${T}^{*}{\sim}17.5\mathrm{K}$ for ${H}_{0}{\parallel}\stackrel{\hat{}{}{}}{c}$ and 10 K for ${H}_{0}{\parallel}\stackrel{\hat{}{}{}}{a}$ at the $^{59}\mathrm{Co}$ site, and ${T}^{*}{\sim}12.5\mathrm{K}$ at the $^{27}\mathrm{Al}$(3) site for ${H}_{0}{\parallel}\stackrel{\hat{}{}{}}{a}$ characteristic of the heavy fermion nature of this compound. At high temperatures, the $^{59}\mathrm{Co}$ NMR spin-lattice relaxation rate ${T}_{1}^{{-}1}$ is dominated by spin fluctuations of the $4f$ local moments with a weak metallic background. The spin fluctuations probed by $^{59}\mathrm{Co}$ NMR are anisotropic and larger in the basal plane than in the $c$ direction. Furthermore, we find ${({T}_{1}TK)}^{{-}1}{\propto}{T}^{{-}1/2}$ at the $^{59}\mathrm{Co}$ site as expected for a Kondo system for $T>{T}^{*}$ and $T>{T}_{K}$. $^{59}\mathrm{Co}$ NQR ${T}_{1}^{{-}1}$ measurements at low temperatures indicate slowing down of spin fluctuations above the magnetic ordering temperature ${T}_{M}{\sim}1.8\mathrm{K}$. A weak ferromagnetic character of fluctuations around $\mathbf{q}=0$ is evidenced by an increase of ${\chi}T$ versus $T$ above the magnetic ordering temperature. We also find good agreement between the observed and calculated electric field gradients at all observed sites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MAGNETIC FIELD OF THE VELA C MOLECULAR CLOUD

We have performed extensive near-infrared ( JHK {sub s}) imaging polarimetry toward the Vela C molecular cloud, which covers the five high-density sub-regions (North, Centre-Ridge, Centre-Nest, South-Ridge, and South-Nest) with distinct morphological characteristics. The obtained polarization vector map shows that three of these sub-regions have distinct plane-of-the-sky (POS) magnetic-field characteristics according to the morphological characteristics. (1) In the Centre-Ridge sub-region, a dominating ridge, the POS magnetic field is mostly perpendicular to the ridge. (2) In the Centre-Nest sub-region, a structure having a slightly extended nest of filaments, the POS magnetic field is nearly parallel to its global elongation. (3) In the South-Nest sub-region, which has a network of small filaments, the POS magnetic field appears to be chaotic. By applying the Chandrasekhar–Fermi method, we derived the POS magnetic field strength as ∼70–310 μ G in the Centre-Ridge, Centre-Nest, and South-Ridge sub-regions. In the South-Nest sub-region, the dispersion of polarization angles is too large to apply the C-F method. Because the velocity dispersion in this sub-region is not greater than those in the other sub-regions, we suggest that the magnetic field in this sub-region is weaker than those in other sub-regions. We also discuss the relationship between the POS magnetic field (configuration and strength) and the cloud structure of each sub-region.

79 ASTRONOMY AND ASTROPHYSICS↗

Effect of Variable Gravity on Evaporation of Binary Fluids in a Capillary Pore Evaporator

The research project focuses on experimental investigation of the capillary-pumped evaporative heat transfer phenomenon. The objective is to examine whether the heat transfer and stability of a heated meniscus in a capillary pore can be enhanced by adding trace amounts of a non-volatile solute to a solvent and to understand the changes that occur. The experimental setup consists of a single pore evaporator connected to a reservoir which supplies liquid to the evaporator. In addition to the experiments of capillary-pumped evaporation, a parallel experimental study has been conducted to systematically investigate the effects of gravity as well as the effects of bulk composition on the heat transfer characteristics of evaporating binary thin films near the contact line region along an inclined heated surface. To investigate the buoyancy effects on evaporation along an inclined heated surface, the angle of inclination from a horizontal plane was varied fro 15 C to 90 C. An optimum concentration between 0.5% and 1% decane in pentane/decane solutions has been demonstrated at different angles of inclination. Improved heat transfer was found for the geometry with the smallest angle of inclination of 15 degrees. In addition, flow visualization has revealed that at low inclination angles effective heat transfer takes place primarily due to an extension of the thin film near the contact line. At these low inclination angles, the optimum concentration is associated with enhanced wetting characteristics and reduced thermocapillary stresses along the interface.

Girgis, Morris M.↗

SU-E-T-303: Spot Scanning Dose Delivery with Rapid Cycling Proton Beams From RCMS

Purpose: A rapid cycling proton beam has several distinct characteristics superior to a slow extraction synchrotron: The beam energy and energy spread, beam intensity and spot size can be varied spot by spot. The feasibility of using a spot scanning beam from a rapidc-ycling-medical-synchrotron (RCMS) at 10 Hz repetition frequency is investigated in this study for its application in proton therapy. Methods: The versatility of the beam is illustrated by two examples in water phantoms: (1) a cylindrical PTV irradiated by a single field and (2) a spherical PTV irradiated by two parallel opposed fields. A uniform dose distribution is to be delivered to the volumes. Geant4 Monte Carlo code is used to validate the dose distributions in each example. Results: Transverse algorithms are developed to produce uniform distributions in each transverseplane in the two examples with a cylindrical and a spherical PTV respectively. Longitudinally, different proton energies are used in successive transverse planes toproduce the SOBP required to cover the PTVs. In general, uniformity of dosedistribution within 3% is obtained for the cylinder and 3.5% for the sphere. The transversealgorithms requires only few hundred beam spots for each plane The algorithms may beapplied to larger volumes by increasing the intensity spot by spot for the same deliverytime of the same dose. The treatment time can be shorter than 1 minute for any fieldconfiguration and tumor shape. Conclusion: The unique beam characteristics of a spot scanning beam from a RCMS at 10 Hz repetitionfrequency are used to design transverse and longitudinal algorithms to produce uniformdistribution for any arbitrary shape and size of targets. The proposed spot scanning beam ismore versatile than existing spot scanning beams in proton therapy with better beamcontrol and lower neutron dose. This work is supported in part by grants from the US Department of Energy under contract; DE-FG02-12ER41800 and the National Science Foundation NSF PHY-1205431.

07 ISOTOPE AND RADIATION SOURCES↗

A resonant instability of model proton radiation belts in the Jovian magnetosphere

The ion cyclotron instability and characteristics of the ion cyclotron wave are discussed. A mathematical perturbation technique is applied to the dispersion relations, and the results are applied to the case of propagation parallel to the magnetic field. The ion cyclotron wave is determined in its damping and growth characteristics by resonant protons and electrons, found in momentum space on resonant surfaces. In the relativistic case the resonant surfaces are hyperbolas of revolution around the magnetic field, and protons can have a stabilizing effect. Instability rates are calculated for the region in the equatorial plane with the Ioannidis and Brice density model. The upper limit of proton flux which gives an energy density of the same order of magnitude as the magnetic field energy density is obtained. The upper limit is plotted with respect to distance from Jupiter and the minimum resonant energy contributing to the instability is also plotted.

Neubauer, F. M.↗

Structure of a quasi-parallel, quasi-laminar bow shock

A thick, quasi-parallel bow shock structure was observed with field and particle detectors of both HEOS 1 and OGO 5. The typical magnetic pulsation structure was at least 1 to 2 earth radii thick radially and was accompanied by irregular but distinct plasma distributions characteristic of neither the solar wind nor the magnetosheath. Waves constituting the large pulsations were polarized principally in the plane of the nominal shock, therefore also in the plane perpendicular to the average interplanetary field. A separate interpulsation regime detected between bursts of large amplitude oscillations was similar to the upstream wave region magnetically, but was characterized by disturbed plasma flux and enhanced noise around the ion plasma frequency. The shock structure appeared to be largely of an oblique, whistler type, probably complicated by counterstreaming high energy protons. Evidence for firehose instability-based structure was weak at best and probably negative.

Greenstadt, E. W.↗