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At least 595 records · Page 33

Computer simulation of earthquakes

Two computer simulation models of earthquakes were studied for the dependence of the pattern of events on the model assumptions and input parameters. Both models represent the seismically active region by mechanical blocks which are connected to one another and to a driving plate. The blocks slide on a friction surface. In the first model elastic forces were employed and time independent friction to simulate main shock events. The size, length, and time and place of event occurrence were influenced strongly by the magnitude and degree of homogeniety in the elastic and friction parameters of the fault region. Periodically reoccurring similar events were frequently observed in simulations with near homogeneous parameters along the fault, whereas, seismic gaps were a common feature of simulations employing large variations in the fault parameters. The second model incorporated viscoelastic forces and time-dependent friction to account for aftershock sequences. The periods between aftershock events increased with time and the aftershock region was confined to that which moved in the main event.

Cohen, S. C.↗

Minority carrier diffusion lengths and absorption coefficients in silicon sheet material

Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.

Dumas, K. A.↗

The growth and development of a turbulent junction vortex system

The growth and development of a vortex system in an incompressible three-dimensional flow generated by a streamlined cylinder mounted with its axis normal to a flat surface was investigated using data from surface flow visualizations, surface pressure measurements, and mean flow measurements. The results from velocity measurements revealed the presence of a single large dominant vortex and a small vortex in the junction between the cylinder and the flat surface. This second vortex is tentatively identified as being connected with a corner separation occurring just downstream of the body at its thickest cross section. It is shown that, as the principal horseshoe vortex develops downstream, the strength of the vortex decreases, while its length scale increases.

Pierce, F. J.↗

Methods of Using a Magnetic Field Response Sensor Within Closed, Electrically Conductive Containers

Magnetic field response sensors are a class of sensors that are powered via oscillating magnetic fields, and when electrically active, respond with their own magnetic fields with attributes dependent upon the magnitude of the physical quantity being measured. A magnetic field response recorder powers and interrogates the magnetic sensors [see Magnetic-Field-Response Measurement- Acquisition System, NASA Tech Briefs Vol. 30, No, 6 (June 2006, page 28)]. Electrically conductive containers have low transmissivity for radio frequency (RF) energy and thus present problems for magnetic field response sensors. It is necessary in some applications to have a magnetic field response sensor s capacitor placed in these containers. Proximity to conductive surfaces alters the inductance and capacitance of the sensors. As the sensor gets closer to a conductive surface, the electric field and magnetic field energy of the sensor is reduced due to eddy currents being induced in the conductive surface. Therefore, the capacitors and inductors cannot be affixed to a conductive surface or embedded in a conductive material. It is necessary to have a fixed separation away from the conductive material. The minimum distance for separation is determined by the desired sensor response signal to noise ratio. Although the inductance is less than what it would be if it were not in proximity to the conductive surface, the inductance is fixed. As long as the inductance is fixed, all variations of the magnetic field response are due to capacitance changes. Numerous variations of inductor mounting can be utilized, such as providing a housing that provides separation from the conductive material as well as protection from impact damage. The sensor can be on the same flexible substrate with a narrow throat portion of the sensor between the inductor and the capacitor, Figure 1. The throat is of sufficient length to allow the capacitor to be appropriately placed within the container and the inductor placed outside the container. The throat is fed through the orifice in the container wall (e.g., fuel tank opening) and connects to the inductor and capacitor via electrical leads to form a closed circuit, Figure 2. Another embodiment is to have the inductor and capacitor fabricated as separate units. In this embodiment, the inductor is mounted external to the container, and the capacitor is mounted internal to the container, Figure 1. Electrical leads are fed through the orifice to connect the inductor and capacitor, Figure 2. When a container holding multiple sensors is made of a conductive material, an antenna can be placed internal to the container. An internal antenna allows all components of the sensors to reside inside the container. The antenna must be separated from the container wall s conductive surface. Additionally, the inductors must be maintained in a fixed position relative to and separated from the container

Woodward, Stanley E.↗

Contact-independent electrical conductance measurement

Electrical conductance measurement system including a one-dimensional semiconducting channel, with electrical conductance sensitive to electrostatic fluctuations, in a circuit for measuring channel electrical current. An electrically-conductive element is disposed at a location at which the element is capacitively coupled to the channel; a midpoint of the element aligned with about a midpoint of the channel, and connected to first and second electrically-conductive contact pads that are together in a circuit connected to apply a changing voltage across the element. The electrically-conductive contact pads are laterally spaced from the midpoint of the element by a distance of at least about three times a screening length of the element, given in SI units as (K.di-elect cons..sub.0/e.sup.2D(E.sub.F)).sup.1/2, where K is the static dielectric constant, .di-elect cons..sub.0 is the permittivity of free space, e is electron charge, and D(E.sub.F) is the density of states at the Fermi energy for the element.

42 ENGINEERING↗

High Fluence 14 MeV Neutron Exposure Capability at the National Ignition Facility

Neutron experiments conducted at the National Ignition Facility can utilize high neutron fluences delivered in very short pulses. By adapting inertial confinement fusion laser pulses and targets, fluences above 10 15 n/cm 2 can be achieved on small experimental volumes, and prospectively up to 10 16 n/cm 2 onto capsule materials under development. Neutron pulse lengths are less than 1 ns. Large experimental volumes from 150 cm 3 to 20 L can access fluences of 10 8 -10 13 n/cm 2 . Experimental platforms may contain encapsulated hazardous materials, active electronics connected to sophisticated prompt read-out equipment, and large assemblies up to 200 kg. Furthermore, sources are designed to maximize total yield, total experimental fluence, or maximum fluenceper user-day allocated as required.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effects of Hydrogen Bonding on Nuclear Data Development of Liquid Anhydrous HF

Anhydrous Hydrogen Fluoride (HF) at high temperatures and pressures is used to process and manufacture nuclear fuel. As HF is often used directly with uranium, correct neutron thermal scattering cross sections are crucial to criticality safety applications. Classical molecular dynamics (CMD) simulation of the flexible HF system was used to create the thermal scattering law (TSL) and cross sections. The initial 2-site model is used in LAMMPS, and it can not capture the H-bond. To correctly represent the H-bond effects, a second, 3-site model was constructed in GROMACS. The 3-site model handled H-bonds by connecting a massless charge to the molecule. Key model parameters were compared to experimental data to verify the approach and models. To get the normalized VACF, the model was compared using hydrogen and fluorine bond length, density, potential energy, and diffusion coefficient. The phonon DOSs for both models were derived from the normalized VACF. DOSs were used to estimate the TSL ( S ( α, β )) and neutron thermal scattering cross sections for hydrogen in HF. The TSLs were evaluated using the FLASSH code with the Schofield diffusion model. It was observed that the representation of the hydrogen bonding changes the TSL's diffusional contributions. This is represented in the low energy scattering cross section, where intermolecular binding effects shift the cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Plasmas generated by ultra-violet light rather than electron impact

We analyze, in both plane and cylindrical geometries, a collisionless plasma consisting of an inner region where generation occurs by UV illumination, and an un-illuminated outer region with no generation. Ions generated in the inner region flow outwards through the outer region and into a wall. We solve for this system's steady state, first in the quasi-neutral regime (where the Debye length λ{sub D} vanishes and analytic solutions exist) and then in the general case, which we solve numerically. In the general case, a double layer forms where the illuminated and un-illuminated regions meet, and an approximately quasi-neutral plasma connects the double layer to the wall sheath; in plane geometry, the ions coast through the quasi-neutral section at slightly more than the Bohm speed c{sub s}. The system, although simple, therefore has two novel features: a double layer that does not require counter-streaming ions and electrons, and a quasi-neutral plasma where ions travel in straight lines with at least the Bohm speed. We close with a précis of our asymptotic solutions of this system, and suggest how our theoretical conclusions might be extended and tested in the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal-Organic Frameworks with High Surface Area

Through a topology-guided strategy, a series of Zr-6-containing isoreticular porphyrinic metalorganic frameworks (MOFs), PCN-228, PCN-229, and PCN-230, with ftw-a topology were synthesized using the extended porphyrinic linkers. The bulky porphyrin ring ligand effectively prevents the network interpenetration which often appears in MOFs with increased linker length. The pore apertures of the structures range from 2.5 to 3.8 nm, and PCN-229 demonstrates the highest porosity and BET surface area among the previously reported Zr-MOFs. Additionally, by changing the relative direction of the terminal phenyl rings, this series replaces a Zr-8 cluster with a smaller Zr-6 cluster in a topologically identical framework. The high connectivity of the Zr-6 cluster yields frameworks with enhanced stability despite high porosity and ultralarge linker. As a representative example, PCN-230, constructed with the most extended porphyrinic linker, shows excellent stability in aqueous solutions with pH values ranging from 0 to 12 and demonstrates one of the highest pH tolerances among all porphyrinic MOFs. This work not only presents a successful example of rational design of MOFs with desired topology, but also provides a strategy for construction of stable mesoporous MOFs.

Liu, TF↗

Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal–Organic Frameworks

Multicomponent metal–organic frameworks (MOFs) promise the precise placement of synergistic functional groups with atomic-level precision, capable of promoting fascinating developments in basic sciences and applications. However, the complexity of multicomponent systems poses a challenge to their structural design and synthesis. Herein, we show that linkers of low symmetry can bring new opportunities to the construction of multicomponent MOFs. A carbazole-tetracarboxylate linker of C s point group symmetry was designed and combined with an 8-connected Zr 6 cluster to generate a low-symmetry MOF, PCN-609. PCN-609 contains coordinatively unsaturated Zr sites arranged within a lattice with three crystallographically distinct pockets, which can accommodate linear linkers of different lengths. Sequential linker installation was carried out to postsynthetically insert three linear linkers into PCN-609, giving rise to a quinary MOF. At last, functionalization of each linker from the quinary MOF system creates multivariate pore environments with unprecedented complexity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microbiological-enhanced mixing across scales during in-situ bioreduction of metals and radionuclides at Department of Energy Sites

Bioreduction is being actively investigated as an effective strategy for subsurface remediation and long-term management of DOE sites contaminated by metals and radionuclides (i.e. U(VI)). These strategies require manipulation of the subsurface, usually through injection of chemicals (e.g., electron donor) which mix at varying scales with the contaminant to stimulate metal reducing bacteria. There is evidence from DOE field experiments suggesting that mixing limitations of substrates at all scales may affect biological growth and activity for U(VI) reduction. Although current conceptual models hold that biomass growth and reduction activity is limited by physical mixing processes, a growing body of literature suggests that reaction could be enhanced by cell-to-cell interaction occurring over length scales extending tens to thousands of microns. Our project investigated two potential mechanisms of enhanced electron transfer. The first is the formation of single- or multiple-species biofilms that transport electrons via direct electrical connection such as conductive pili (i.e. ‘nanowires’) through biofilms to where the electron acceptor is available. The second is through diffusion of electron carriers from syntrophic bacteria to dissimilatory metal reducing bacteria (DMRB). The specific objectives of this work are (i) to quantify the extent and rate that electrons are transported between microorganisms in physical mixing zones between an electron donor and electron acceptor (e.g. U(IV)), (ii) to quantify the extent that biomass growth and reaction are enhanced by interspecies electron transport, and (iii) to integrate mixing across scales (e.g., microscopic scale of electron transfer and macroscopic scale of diffusion) in an integrated numerical model to quantify these mechanisms on overall U(VI) reduction rates. We tested these hypotheses with five tasks that integrate microbiological experiments, unique micro-fluidics experiments, flow cell experiments, and multi-scale numerical models. Continuous fed-batch reactors were used to derive kinetic parameters for DMRB, and to develop an enrichment culture for elucidation of syntrophic relationships in a complex microbial community. Pore and continuum scale experiments using microfluidic and bench top flow cells were used to evaluate the impact of cell-to-cell and microbial interactions on reaction enhancement in mixing-limited bioactive zones, and the mechanisms of this interaction. Some of the microfluidic experiments were used to develop and test models that considers direct cell-to-cell interactions during metal reduction. Pore scale models were incorporated into a multi-scale hybrid modeling framework that combines pore scale modeling at the reaction interface with continuum scale modeling. New computational frameworks for combining continuum and pore-scale models were also developed

54 ENVIRONMENTAL SCIENCES↗

Elastic-Tether Suits for Artificial Gravity and Exercise

Body suits harnessed to systems of elastic tethers have been proposed as means of approximating the effects of normal Earth gravitation on crewmembers of spacecraft in flight to help preserve the crewmembers physical fitness. The suits could also be used on Earth to increase effective gravitational loads for purposes of athletic training. The suit according to the proposal would include numerous small tether-attachment fixtures distributed over its outer surface so as to distribute the artificial gravitational force as nearly evenly as possible over the wearer s body. Elastic tethers would be connected between these fixtures and a single attachment fixture on a main elastic tether that would be anchored to a fixture on or under a floor. This fixture might include multiple pulleys to make the effective length of the main tether great enough that normal motions of the wearer cause no more than acceptably small variations in the total artificial gravitational force. Among the problems in designing the suit would be equalizing the load in the shoulder area and keeping tethers out of the way below the knees to prevent tripping. The solution would likely include running tethers through rings on the sides. Body suits with a weight or water ballast system are also proposed for very slight spinning space-station scenarios, in which cases the proposed body suits will easily be able to provide the equivalency of a 1-G or even greater load.

Torrance, Paul↗

Relationship between the structure and luminescent properties for two crystal modifications of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide

Two crystal modifications (1o and 1y) of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide, which differ in the color of crystals and the color of luminescence, have been studied by X-ray diffraction and spectral-luminescence methods. The corresponding bond lengths and bond angles in the molecules of two crystal modifications are virtually identical. In both crystal structures, there are two systems of weak intermolecular interactions: {pi}-stacking interactions and -CN Horizontal-Ellipsis H-N hydrogen bonds involving nitrile and NH groups. In the crystal structures, two hydrogen bonds connect pairs of molecules into centrosymmetric dimers. The N Horizontal-Ellipsis H distances are 2.21 and 2.41 A in 1o and 1y, respectively. The interplanar distances in the {pi}-stacked systems of 1o and 1y are 3.33 and 3.41 A, respectively. Both types of weak interactions are stronger in 1o than in 1y, which accounts for a larger shift of absorption and luminescence bands for the former compound.

36 MATERIALS SCIENCE↗

Effects of water on the mechanical properties of silica glass using molecular dynamics

Understanding the effects of water on the mechanical properties of silica glass is important for many applications of silicate glasses. In this study, the effects of water on both elastic and plastic properties of pure silica glass are investigated. The introduction of molecular water leads to an increase of Young's modulus of silica glass at low water content, while hydroxyl exhibits an opposite effect. Although hydroxyl groups decrease both strength and fracture toughness of the glass via destructing the silica network connectivity, molecular water undermines these properties by effectively driving the silica network to a “strained” configuration in absence of external stress. The water effect can be characterized in terms of the change of Si-O bond length and Si-O-Si bond angle. The plateau in the stress-strain curves of silica with the existence of molecular water in compact tension is associated with the Si-O bond breaking followed by formation of silanol groups. Furthermore, the introduction of molecular water lowers the critical tensile stress where the plateau occurs.

36 MATERIALS SCIENCE↗

Epitaxial exchange-bias systems: From fundamentals to future spin-orbitronics

Exchange bias has been investigated for more than half a century and several insightful reviews, published around the year 2000, have already summarized many key experimental and theoretical aspects related to this phenomenon. Since then, due to developments in thin-film fabrication and sophisticated characterization methods, exchange bias continues to show substantial advances; in particular, recent studies on epitaxial systems, which is the focus of this review, allow many long-standing mysteries of exchange bias to be unambiguously resolved. The advantage of epitaxial samples lies in the well-defined interface structures, larger coherence lengths, and competing magnetic anisotropies, which are often negligible in polycrystalline samples. Beginning with a discussion of the microscopic spin properties at the ferromagnetic/antiferromagnetic interface, we correlate the details of spin lattices with phenomenological anisotropies, and finally connect the two by introducing realistic measurement approaches and models. We conclude by providing a brief perspective on the future of exchange bias and related studies in the context of the rapidly evolving interest in antiferromagnetic spintronics.

36 MATERIALS SCIENCE↗

Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes

We establish the connection between the measured small angle x-ray scattering signal and the charge–charge correlations underlying Kirkwood transitions (KTs) in 1:1, 2:1, and 3:1 aqueous electrolytes. These measurements allow us to obtain underscreening lengths for bulk electrolytes independently verified by theory and simulations. Furthermore, we generalize the concept of KTs beyond those theoretically predicted for 1:1 electrolytes, which involves the inverse screening length, a 0 , and the inverse periodicity length, Q 0 . Above the KTs, we find a universal scaling of a 0 ∝ c – $\sqrt{ζ/3}$ and Q 0 ∝ c 1/3 for the studied electrolyte solutions, where ζ is the ionic strength factor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Boundary scattering of phonons: Specularity of a randomly rough surface in the small-perturbation limit

Scattering of normally incident longitudinal and transverse acoustic waves by a randomly rough surface of an elastically isotropic solid is analyzed within the small-perturbation approach. In the limiting case of a large correlation length L compared with the acoustic wavelength, the specularity reduction is given by 4η 2 k 2 ,where η is the rms roughness and k is the acoustic wave vector, which is in agreement with the well-known Kirchhoff approximation result often referred to as Ziman's equation [J. M. Ziman, Electrons and Phonons (Clarendon Press, Oxford, 1960)]. In the opposite limiting case of a small correlation length, the specularity reduction is discovered to be proportional to η 2 k 4 L 2 , with the fourth power dependence on frequency as in Rayleigh scattering. Numerical calculations for a Gaussian autocorrelation function of surface roughness connect these limiting cases and reveal a maximum of diffuse scattering at an intermediate value of L . This maximum becomes increasingly pronounced for the incident longitudinal wave as the Poisson's ratio of the medium approaches 1/2 as a result of increased scattering into transverse and Rayleigh surface waves. The results imply that thermal transport models using Ziman's formula are likely to overestimate the heat flux dissipation due to boundary scattering, whereas modeling interface roughness as atomic disorder is likely to underestimate scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TH-C-18A-12: Evaluation of the Impact of Body Size and Tube Output Limits in the Optimization of Fast Scanning with High-Pitch Dual Source CT

Purpose: To evaluate the impact of body size and tube power limits in the optimization of fast scanning with high-pitch dual source CT (DSCT). Methods: A previously validated MERCURY phantom, made of polyethylene, with circular cross-section of diameters 16, 23, 30 and 37cm, and connected through tapered sections, was scanned using a second generation DSCT system. The DSCT operates with two independently controlled x-ray tube generators offering up to 200 kW power reserve (100 kW per tube). The entire length of the phantom (42cm) was scanned with two protocols using: A)Standard single-source CT (SSCT) protocol with pitch of 0.8, and B) DSCT protocol with high-pitch values ranging from 1.6 to 3.2 (0.2 steps). All scans used 120 kVp with 150 quality reference mAs using automatic exposure control. Scanner radiation output (CTDIvol) and effective mAs values were extracted retrospectively from DICOM files for each slice. Image noise was recorded. All variables were assessed relative to phantom diameter. Results: With standard-pitch SSCT, the scanner radiation output (and tube-current) were progressively adapted with increasing size, from 6 mGy (120 mAs) up to 15 mGy (270 mAs) from the thinnest (16cm) to the thickest diameter (37 cm), respectively. By comparison, using high-pitch (3.2), the scanner output was bounded at about 8 mGy (140 mAs), independent of phantom diameter. Although relative to standard-pitch, the high-pitch led to lower radiation output for the same scan, the image noise was higher, particularly for larger diameters. To match the radiation output adaptation of standard-pitch, a high-pitch mode of 1.6 was needed, with the advantage of scanning twice as fast. Conclusion: To maximize the benefits of fast scanning with high-pitch DSCT, the body size and tube power limits of the system need to be considered such that a good balance between speed of acquisition and image quality are warranted. JCRG is an employee of Siemens Medical Solutions USA Inc.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗