On the mechanical characteristics of a self-setting calcium phosphate cement.

PubMed

Bimis, A; Canal, L P; Karalekas, D; Botsis, J

2017-04-01

To perform a mechanical characterization of a self-setting calcium phosphate cement in function of the immersion time in Ringer solution. Specimens of self-setting calcium phosphate cement were prepared from pure α-TCP powder. The residual strains developed during hardening stage were monitored using an embedded fiber Bragg grating sensor. Additionally, the evolution of the elastic modulus was obtained for the same time period by conducting low-load indentation tests. Micro-computed tomography as well as microscope-assisted inspections were employed to evaluate the porosity in the specimens. Moreover, diametral compression tests were conducted in wet and dried specimens to characterize the material strength. The volume of the estimated porosity and absorbed fluid mass, during the first few minutes of the material's exposure in a wet environment, coincide. The immersion in Ringer solution lead to a noticeable increase in the moduli values. The critical value of stresses obtained from the diametral compression tests were combined with the data from uniaxial compression tests, to suggest a Mohr-Coulomb failure criterion. This study presents different techniques to characterize a self-setting calcium phosphate cement and provides experimental data on porosity, mechanical properties and failure. The investigated material possessed an open porosity at its dried state with negligible residual strains and its Young's modulus, obtained from micro-indentation tests, increased with hardening time. The failure loci may be described by a Mohr-Coulomb criterion, characteristic of soil and rock materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Micromechanics of cataclastic pore collapse in limestone

NASA Astrophysics Data System (ADS)

Zhu, Wei; Baud, Patrick; Wong, Teng-Fong

2010-04-01

The analysis of compactant failure in carbonate formations hinges upon a fundamental understanding of the mechanics of inelastic compaction. Microstructural observations indicate that pore collapse in a limestone initiates at the larger pores, and microcracking dominates the deformation in the periphery of a collapsed pore. To capture these micromechanical processes, we developed a model treating the limestone as a dual porosity medium, with the total porosity partitioned between macroporosity and microporosity. The representative volume element is made up of a large pore which is surrounded by an effective medium containing the microporosity. Cataclastic yielding of this effective medium obeys the Mohr-Coulomb or Drucker-Prager criterion, with failure parameters dependent on porosity and pore size. An analytic approximation was derived for the unconfined compressive strength associated with failure due to the propagation and coalescence of pore-emanated cracks. For hydrostatic loading, identical theoretical results for the pore collapse pressure were obtained using the Mohr-Coulomb or Drucker-Prager criterion. For nonhydrostatic loading, the stress state at the onset of shear-enhanced compaction was predicted to fall on a linear cap according to the Mohr-Coulomb criterion. In contrast, nonlinear caps in qualitative agreement with laboratory data were predicted using the Drucker-Prager criterion. Our micromechanical model implies that the effective medium is significantly stronger and relatively pressure-insensitive in comparison to the bulk sample.

Shear failure of granular materials

NASA Astrophysics Data System (ADS)

Degiuli, Eric; Balmforth, Neil; McElwaine, Jim; Schoof, Christian; Hewitt, Ian

2012-02-01

Connecting the macroscopic behavior of granular materials with the microstructure remains a great challenge. Recent work connects these scales with a discrete calculus [1]. In this work we generalize this formalism from monodisperse packings of disks to 2D assemblies of arbitrarily shaped grains. In particular, we derive Airy's expression for a symmetric, divergence-free stress tensor. Using these tools, we derive, from first-principles and in a mean-field approximation, the entropy of frictional force configurations in the Force Network Ensemble. As a macroscopic consequence of the Coulomb friction condition at contacts, we predict shear failure at a critical shear stress, in accordance with the Mohr-Coulomb failure condition well known in engineering. Results are compared with numerical simulations, and the dependence on the microscopic geometric configuration is discussed. [4pt] [1] E. DeGiuli & J. McElwaine, PRE 2011. doi: 10.1103/PhysRevE.84.041310

Static stress changes associated with normal faulting earthquakes in South Balkan area

NASA Astrophysics Data System (ADS)

Papadimitriou, E.; Karakostas, V.; Tranos, M.; Ranguelov, B.; Gospodinov, D.

2007-10-01

Activation of major faults in Bulgaria and northern Greece presents significant seismic hazard because of their proximity to populated centers. The long recurrence intervals, of the order of several hundred years as suggested by previous investigations, imply that the twentieth century activation along the southern boundary of the sub-Balkan graben system, is probably associated with stress transfer among neighbouring faults or fault segments. Fault interaction is investigated through elastic stress transfer among strong main shocks ( M ≥ 6.0), and in three cases their foreshocks, which ruptured distinct or adjacent normal fault segments. We compute stress perturbations caused by earthquake dislocations in a homogeneous half-space. The stress change calculations were performed for faults of strike, dip, and rake appropriate to the strong events. We explore the interaction between normal faults in the study area by resolving changes of Coulomb failure function ( ΔCFF) since 1904 and hence the evolution of the stress field in the area during the last 100 years. Coulomb stress changes were calculated assuming that earthquakes can be modeled as static dislocations in an elastic half-space, and taking into account both the coseismic slip in strong earthquakes and the slow tectonic stress buildup associated with major fault segments. We evaluate if these stress changes brought a given strong earthquake closer to, or sent it farther from, failure. Our modeling results show that the generation of each strong event enhanced the Coulomb stress on along-strike neighbors and reduced the stress on parallel normal faults. We extend the stress calculations up to present and provide an assessment for future seismic hazard by identifying possible sites of impending strong earthquakes.

Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2

NASA Astrophysics Data System (ADS)

Bentalha, Zine el abidine

2018-06-01

Exact analytical representation for the Coulomb matrix elements by means of Appell's double series F 2 is derived. The finite sum obtained for the Appell function F 2 allows us to evaluate explicitly the matrix elements of the two-body Coulomb interaction in the lowest Landau level. An application requiring the matrix elements of Coulomb potential in quantum Hall effect regime is presented.

Analyses of Third Order Bose-Einstein Correlation by Means of Coulomb Wave Function

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

Biyajima, Minoru; Mizoguchi, Takuya; Suzuki, Naomichi

2006-04-11

In order to include a correction by the Coulomb interaction in Bose-Einstein correlation (BEC), the wave function for the Coulomb scattering were introduced in the quantum optical approach to BEC in the previous work. If we formulate the amplitude written by Coulomb wave functions according to the diagram for BEC in the plane wave formulation, the formula for 3{pi} -BEC becomes simpler than that of our previous work. We re-analyze the raw data of 3{pi} -BEC by NA44 and STAR Collaborations by this formula. Results are compared with the previous ones.

Coulomb wave functions in momentum space

DOE PAGES

Eremenko, V.; Upadhyay, N. J.; Thompson, I. J.; ...

2015-10-15

We present an algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space. The arguments are the Sommerfeld parameter η, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p → q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singularity and far away from it. The code for the momentum-space Coulomb wave functions is applicable for values of vertical bar eta vertical barmore » in the range of 10 -1 to 10, and thus is particularly suited for momentum space calculations of nuclear reactions.« less

Coulomb stress transfer and tectonic loading preceding the 2002 Denali fault earthquake

USGS Publications Warehouse

Bufe, Charles G.

2006-01-01

Pre-2002 tectonic loading and Coulomb stress transfer are modeled along the rupture zone of the M 7.9 Denali fault earthquake (DFE) and on adjacent segments of the right-lateral Denali–Totschunda fault system in central Alaska, using a three-dimensional boundary-element program. The segments modeled closely follow, for about 95°, the arc of a circle of radius 375 km centered on an inferred asperity near the northeastern end of the intersection of the Patton Bay fault with the Alaskan megathrust under Prince William Sound. The loading model includes slip of 6 mm/yr below 12 km along the fault system, consistent with rotation of the Wrangell block about the asperity at a rate of about 1°/m.y. as well as slip of the Pacific plate at 5 cm/yr at depth along the Fairweather–Queen Charlotte transform fault system and on the Alaska megathrust. The model is consistent with most available pre-2002 Global Positioning System (GPS) displacement rate data. Coulomb stresses induced on the Denali–Totschunda fault system (locked above 12 km) by slip at depth and by transfer from the M 9.2 Prince William Sound earthquake of 1964 dominated the changing Coulomb stress distribution along the fault. The combination of loading (∼70–85%) and coseismic stress transfer from the great 1964 earthquake (∼15–30%) were the principal post-1900 stress factors building toward strike-slip failure of the northern Denali and Totschunda segments in the M 7.9 earthquake of November 2002. Postseismic stresses transferred from the 1964 earthquake may also have been a significant factor. The M 7.2–7.4 Delta River earthquake of 1912 (Carver et al., 2004) may have delayed or advanced the timing of the DFE, depending on the details and location of its rupture. The initial subevent of the 2002 DFE earthquake was on the 40-km Susitna Glacier thrust fault at the western end of the Denali fault rupture. The Coulomb stress transferred from the 1964 earthquake moved the Susitna Glacier thrust fault uniformly away from thrust failure by about 100 kPa. The initiation of the Denali fault earthquake was advanced by transfer of 30–50 kPa of positive Coulomb stress to the Susitna Glacier fault (Anderson and Ji, 2003) by the nearby M 6.7 Nenana Mountain foreshock of 23 October 2002. The regional tectonic loading model used here suggests that the Semidi (Alaska Peninsula) segment of the megathrust that ruptured in 1938 (M 8.2) may be reloaded and approaching failure.

One-dimensional Coulomb problem in Dirac materials

NASA Astrophysics Data System (ADS)

Downing, C. A.; Portnoi, M. E.

2014-11-01

We investigate the one-dimensional Coulomb potential with application to a class of quasirelativistic systems, so-called Dirac-Weyl materials, described by matrix Hamiltonians. We obtain the exact solution of the shifted and truncated Coulomb problems, with the wave functions expressed in terms of special functions (namely, Whittaker functions), while the energy spectrum must be determined via solutions to transcendental equations. Most notably, there are critical band gaps below which certain low-lying quantum states are missing in a manifestation of atomic collapse.

A Unified Constitutive Model for Subglacial Till, Part I: The Disturbed State Concept

NASA Astrophysics Data System (ADS)

Jenson, J. W.; Desai, C. S.; Clark, P. U.; Contractor, D. N.; Sane, S. M.; Carlson, A. E.

2006-12-01

Classical plasticity models such as Mohr-Coulomb may not adequately represent the full range of possible motion and failure in tills underlying ice sheets. Such models assume that deformations are initially elastic, and that when a peak or failure stress level is reached the system experiences sudden failure, after which the stress remains constant and the deformations can tend to infinite magnitudes. However, theory suggests that the actual behavior of deforming materials, including granular materials such as glacial till, can involve plastic or irreversible strains almost from the beginning, in which localized zones of microcracking and "failure" can be distributed over the material element. As the loading increases, and with associated plastic and creep deformations, the distributed failure zones coalesce. When the extent of such coalesced zones reaches critical values of stresses and strains, the critical condition (failure) can occur in the till, which would cause associated movements of the ice sheet. Failure or collapse then may occur at much larger strain levels. Classical models (e.g., Mohr-Coulomb) may therefore not be able to fully and realistically characterize deformation behavior and the gradual developments of localized failures tending to the global failure and movements. We present and propose the application of the Disturbed State Concept (DSC), a unified model that incorporates the actual pre- and post-failure behavior, for characterizing the behavior of subglacial tills. In this presentation (Part I), we describe the DSC and propose its application to subglacial till. Part II (Desai et al.) describes our application of the DSC with laboratory testing, model calibration, and validations to evaluate the mechanical properties of two regionally significant Pleistocene tills.

Coseismic Slip Deficit of the 2017 Mw 6.5 Ormoc Earthquake That Occurred Along a Creeping Segment and Geothermal Field of the Philippine Fault

NASA Astrophysics Data System (ADS)

Yang, Ying-Hui; Tsai, Min-Chien; Hu, Jyr-Ching; Aurelio, Mario A.; Hashimoto, Manabu; Escudero, John Agustin P.; Su, Zhe; Chen, Qiang

2018-03-01

Coseismic surface deformation imaged through interferometric synthetic aperture radar (InSAR) measurements was used to estimate the fault geometry and slip distribution of the 2017 Mw 6.5 Ormoc earthquake along a creeping segment of the Philippine Fault on Leyte Island. Our best fitting faulting model suggests that the coseismic rupture occurred on a fault plane with high dip angle of 78.5° and strike angle of 325.8°, and the estimated maximum fault slip of 2.3 m is located at 6.5 km east-northeast of the town of Kananga. The recognized insignificant slip in the Tongonan geothermal field zone implies that the plastic behavior caused by high geothermal gradient underneath the Tongonan geothermal field could prevent the coseismic failure in heated rock mass in this zone. The predicted Coulomb failure stress change shows that a significant positive Coulomb failure stress change occurred along the SE segment of central Philippine Fault with insignificant coseismic slip and infrequent aftershocks, which suggests an increasing risk for future seismic hazard.

The influence of one earthquake on another

NASA Astrophysics Data System (ADS)

Kilb, Deborah Lyman

1999-12-01

Part one of my dissertation examines the initiation of earthquake rupture. We study the initial subevent (ISE) of the Mw 6.7 1994 Northridge, California earthquake to distinguish between two end-member hypotheses of an organized and predictable earthquake rupture initiation process or, alternatively, a random process. We find that the focal mechanisms of the ISE and mainshock are indistinguishable, and both events may have nucleated on and ruptured the same fault plane. These results satisfy the requirements for both end-member models, and do not allow us to distinguish between them. However, further tests show the ISE's waveform characteristics are similar to those of typical nearby small earthquakes (i.e., dynamic ruptures). The second part of my dissertation examines aftershocks of the M 7.1 1989 Loma Prieta, California earthquake to determine if theoretical models of static Coulomb stress changes correctly predict the fault plane geometries and slip directions of Loma Prieta aftershocks. Our work shows individual aftershock mechanisms cannot be successfully predicted because a similar degree of predictability can be obtained using a randomized catalogue. This result is probably a function of combined errors in the models of mainshock slip distribution, background stress field, and aftershock locations. In the final part of my dissertation, we test the idea that earthquake triggering occurs when properties of a fault and/or its loading are modified by Coulomb failure stress changes that may be transient and oscillatory (i.e., dynamic) or permanent (i.e., static). We propose a triggering threshold failure stress change exists, above which the earthquake nucleation process begins although failure need not occur instantaneously. We test these ideas using data from the 1992 M 7.4 Landers earthquake and its aftershocks. Stress changes can be categorized as either dynamic (generated during the passage of seismic waves), static (associated with permanent fault offsets caused by fault slip) or complete (including both static and dynamic). We examine theoretically calculated Coulomb failure stress changes for the static (DeltaCFS) and complete (DeltaCFS(t)) cases, and statistically test for a correlation with spatially varying post-Landers seismicity rate changes. We find that directivity, which was required to model waveforms of the 1992 Landers earthquake, creates an asymmetry in mapped peak DeltaCFS(t). A similar asymmetry is apparent in the seismicity rate change map but not in the DeltaCFS map. Statistical analyses show that peak DeltaCFS(t) correlates as well or better with seismicity rate change as DeltaCFS, and qualitatively peak DeltaCFS(t) is the preferred model. (Abstract shortened by UMI.)

Coulomb Mediated Hybridization of Excitons in Coupled Quantum Dots.

PubMed

Ardelt, P-L; Gawarecki, K; Müller, K; Waeber, A M; Bechtold, A; Oberhofer, K; Daniels, J M; Klotz, F; Bichler, M; Kuhn, T; Krenner, H J; Machnikowski, P; Finley, J J

2016-02-19

We report Coulomb mediated hybridization of excitonic states in optically active InGaAs quantum dot molecules. By probing the optical response of an individual quantum dot molecule as a function of the static electric field applied along the molecular axis, we observe unexpected avoided level crossings that do not arise from the dominant single-particle tunnel coupling. We identify a new few-particle coupling mechanism stemming from Coulomb interactions between different neutral exciton states. Such Coulomb resonances hybridize the exciton wave function over four different electron and hole single-particle orbitals. Comparisons of experimental observations with microscopic eight-band k·p calculations taking into account a realistic quantum dot geometry show good agreement and reveal that the Coulomb resonances arise from broken symmetry in the artificial semiconductor molecule.

Coulomb Impurity Problem of Graphene in Strong Coupling Regime in Magnetic Fields.

PubMed

Kim, S C; Yang, S-R Eric

2015-10-01

We investigate the Coulomb impurity problem of graphene in strong coupling limit in the presence of magnetic fields. When the strength of the Coulomb potential is sufficiently strong the electron of the lowest energy boundstate of the n = 0 Landau level may fall to the center of the potential. To prevent this spurious effect the Coulomb potential must be regularized. The scaling function for the inverse probability density of this state at the center of the impurity potential is computed in the strong coupling regime. The dependence of the computed scaling function on the regularization parameter changes significantly as the strong coupling regime is approached.

Impoundment of the Zipingpu reservoir and triggering of the 2008 Mw 7.9 Wenchuan earthquake, China

PubMed Central

Tao, Wei; Masterlark, Timothy; Ronchin, Erika

2015-01-01

Abstract Impoundment of the Zipingpu reservoir (ZR), China, began in September 2005 and was followed 2.7 years later by the 2008 Mw 7.9 Wenchuan earthquake (WE) rupturing the Longmen Shan Fault (LSF), with its epicenter ~12 km away from the ZR. Based on the poroelastic theory, we employ three‐dimensional finite element models to simulate the evolution of stress and pore pressure due to reservoir impoundment, and its effect on the Coulomb failure stress on the LSF. The results indicate that the reservoir impoundment formed a pore pressure front that slowly propagated through the crust with fluid diffusion. The reservoir loading induced either moderate or no increase of the Coulomb failure stress at the hypocenter prior to the WE. The Coulomb failure stress, however, grew ~9.3–69.1 kPa in the depth range of 1–8 km on the LSF, which may have advanced tectonic loading of the fault system by ~60–450 years. Due to uncertainties of fault geometry and hypocenter location of the WE, it is inconclusive whether impoundment of the ZR directly triggered the WE. However, a small event at the hypocenter could have triggered large rupture elsewhere on fault, where the asperities were weakened by the ZR. The microseismicity around the ZR also showed an expanding pattern from the ZR since its impoundment, likely associated with diffusion of a positive pore pressure pulse. These results suggest a poroelastic triggering effect (even if indirectly) of the WE due to the impoundment of the ZR. PMID:27812436

Effect of Coulomb friction on orientational correlation and velocity distribution functions in a sheared dilute granular gas.

PubMed

Gayen, Bishakhdatta; Alam, Meheboob

2011-08-01

From particle simulations of a sheared frictional granular gas, we show that the Coulomb friction can have dramatic effects on orientational correlation as well as on both the translational and angular velocity distribution functions even in the Boltzmann (dilute) limit. The dependence of orientational correlation on friction coefficient (μ) is found to be nonmonotonic, and the Coulomb friction plays a dual role of enhancing or diminishing the orientational correlation, depending on the value of the tangential restitution coefficient (which characterizes the roughness of particles). From the sticking limit (i.e., with no sliding contact) of rough particles, decreasing the Coulomb friction is found to reduce the density and spatial velocity correlations which, together with diminished orientational correlation for small enough μ, are responsible for the transition from non-gaussian to gaussian distribution functions in the double limit of small friction (μ→0) and nearly elastic particles (e→1). This double limit in fact corresponds to perfectly smooth particles, and hence the maxwellian (gaussian) is indeed a solution of the Boltzmann equation for a frictional granular gas in the limit of elastic collisions and zero Coulomb friction at any roughness. The high-velocity tails of both distribution functions seem to follow stretched exponentials even in the presence of Coulomb friction, and the related velocity exponents deviate strongly from a gaussian with increasing friction.

Failure Characteristics of Granite Influenced by Sample Height-to-Width Ratios and Intermediate Principal Stress Under True-Triaxial Unloading Conditions

NASA Astrophysics Data System (ADS)

Li, Xibing; Feng, Fan; Li, Diyuan; Du, Kun; Ranjith, P. G.; Rostami, Jamal

2018-05-01

The failure modes and peak unloading strength of a typical hard rock, Miluo granite, with particular attention to the sample height-to-width ratio (between 2 and 0.5), and the intermediate principal stress was investigated using a true-triaxial test system. The experimental results indicate that both sample height-to-width ratios and intermediate principal stress have an impact on the failure modes, peak strength and severity of rockburst in hard rock under true-triaxial unloading conditions. For longer rectangular specimens, the transition of failure mode from shear to slabbing requires higher intermediate principal stress. With the decrease in sample height-to-width ratios, slabbing failure is more likely to occur under the condition of lower intermediate principal stress. For same intermediate principal stress, the peak unloading strength monotonically increases with the decrease in sample height-to-width. However, the peak unloading strength as functions of intermediate principal stress for different types of rock samples (with sample height-to-width ratio of 2, 1 and 0.5) all present the pattern of initial increase, followed by a subsequent decrease. The curves fitted to octahedral shear stress as a function of mean effective stress also validate the applicability of the Mogi-Coulomb failure criterion for all considered rock sizes under true-triaxial unloading conditions, and the corresponding cohesion C and internal friction angle φ are calculated. The severity of strainburst of granite depends on the sample height-to-width ratios and intermediate principal stress. Therefore, different supporting strategies are recommended in deep tunneling projects and mining activities. Moreover, the comparison of test results of different σ 2/ σ 3 also reveals the little influence of minimum principal stress on failure characteristics of granite during the true-triaxial unloading process.

Study of ultrasonic attenuation in f-electron systems in the paramagnetic limit of Coulomb interaction

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

Shadangi, Asit Ku., E-mail: asitshad@iopb.res.in; Rout, G. C., E-mail: gcr@iopb.res.in

2015-05-15

We report here a microscopic model study of ultrasonic attenuation in f-electron systems based on Periodic Anderson Model in which Coulomb interaction is considered within a mean-field approximation for a weak interaction. The Phonon is coupled to the conduction band and f-electrons. The phonon Green's function is calculated by Zubarev's technique of the Green's function method. The temperature dependent ultrasonic attenuation co-efficient is calculated from the imaginary part of the phonon self-energy in the dynamic and long wave length limit. The f-electron occupation number is calculated self-consistently in paramagnetic limit of Coulomb interaction. The effect of the Coulomb interaction onmore » ultrasonic attenuation is studied by varying the phonon coupling parameters to the conduction and f-electrons, hybridization strength, the position of f-level and the Coulomb interaction Strength. Results are discussed on the basis of experimental results.« less

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

PubMed

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

Dynamic stresses, coulomb failure, and remote triggering: corrected

USGS Publications Warehouse

Hill, David P.

2012-01-01

Dynamic stresses associated with crustal surface waves with 15–30 s periods and peak amplitudes <1  MPa are capable of triggering seismicity at sites remote from the generating mainshock under appropriate conditions. Coulomb failure models based on a frictional strength threshold offer one explanation for instances of rapid‐onset triggered seismicity that develop during the surface‐wave peak dynamic stressing. Evaluation of the triggering potential of surface‐wave dynamic stresses acting on critically stressed faults using a Mohr’s circle representation together with the Coulomb failure criteria indicates that Love waves should have a higher triggering potential than Rayleigh waves for most fault orientations and wave incidence angles. That (1) the onset of triggered seismicity often appears to begin during the Rayleigh wave rather than the earlier arriving Love wave, and (2) Love‐wave amplitudes typically exceed those for Rayleigh waves suggests that the explanation for rapid‐onset dynamic triggering may not reside solely with a simple static‐threshold friction mode. The results also indicate that normal faults should be more susceptible to dynamic triggering by 20‐s Rayleigh‐wave stresses than thrust faults in the shallow seismogenic crust (<10  km) while the advantage tips in favor of reverse faults greater depths. This transition depth scales with wavelength and coincides roughly with the transition from retrograde‐to‐prograde particle motion. Locally elevated pore pressures may have a role in the observed prevalence of dynamic triggering in extensional regimes and geothermal/volcanic systems. The result is consistent with the apparent elevated susceptibility of extensional or transtensional tectonic regimes to remote triggering by Rayleigh‐wave dynamic stresses than compressional or transpressional regimes.

Static Stress Transfers Causes Delayed Seismicity Shutdown

NASA Astrophysics Data System (ADS)

Kroll, K.; Richards-Dinger, K. B.; Dieterich, J. H.; Cochran, E. S.

2015-12-01

It has been long debated what role static stress changes play in the enhancement and suppression of seismicity in the near-field region of large earthquakes. While numerous observations have correlated earthquake triggering and elevated seismicity rates with regions of increased Coulomb failure stress (CFS), observations of seismic quiescence in stress shadow regions are more controversial. When observed, seismicity shutdowns are often delayed by days to months following a negative stress perturbation. Some studies propose that the delay in the seismic shutdown can be caused by rupture promoting failure on one fault type while suppressing activity on another; thus the observed seismicity reflects the weighted contribution of the two faulting populations. For example, it was noted that in the 75 years following the 1906 San Francisco earthquake, strike-slip faulting earthquakes were inhibited, while thrust faulting events were promoted. However, definitive observations supporting this delayed shutdown mechanism are rare. In this study, we report seismicity rate increases and decreases that correlate with regions of Coulomb stress transfer, and show observations of a delayed shutdown in the Yuha Desert, California. We use a Coulomb stress change model coupled with a rate-and state- earthquake model to show that the delay in the shutdown is due to the combined changes in the rates of normal and strike-slip faulting events following the 2010 M5.72 Ocotillo aftershock of the 2010 El Mayor-Cucapah earthquake.

Triggering of destructive earthquakes in El Salvador

NASA Astrophysics Data System (ADS)

Martínez-Díaz, José J.; Álvarez-Gómez, José A.; Benito, Belén; Hernández, Douglas

2004-01-01

We investigate the existence of a mechanism of static stress triggering driven by the interaction of normal faults in the Middle American subduction zone and strike-slip faults in the El Salvador volcanic arc. The local geology points to a large strike-slip fault zone, the El Salvador fault zone, as the source of several destructive earthquakes in El Salvador along the volcanic arc. We modeled the Coulomb failure stress (CFS) change produced by the June 1982 and January 2001 subduction events on planes parallel to the El Salvador fault zone. The results have broad implications for future risk management in the region, as they suggest a causative relationship between the position of the normal-slip events in the subduction zone and the strike-slip events in the volcanic arc. After the February 2001 event, an important area of the El Salvador fault zone was loaded with a positive change in Coulomb failure stress (>0.15 MPa). This scenario must be considered in the seismic hazard assessment studies that will be carried out in this area.

Laser-modified Coulomb scattering states of an electron in the parabolic quasi-Sturmian-Floquet approach

NASA Astrophysics Data System (ADS)

Zaytsev, A. S.; Zaytsev, S. A.; Ancarani, L. U.; Kouzakov, K. A.

2018-04-01

Electron scattering states in combined Coulomb and laser fields are investigated with a nonperturbative approach based on the Hermitian Floquet theory. Taking into account the Coulomb-specific asymptotic behavior of the electron wave functions at large distances, a Lippmann-Schwinger-Floquet equation is derived in the Kramers-Henneberger frame. Such a scattering-state equation is solved numerically employing a set of parabolic quasi-Sturmian functions which have the great advantage of possessing, by construction, adequately chosen incoming or outgoing Coulomb asymptotic behaviors. Our quasi-Sturmian-Floquet approach is tested with a calculation of triple differential cross sections for a laser-assisted (e ,2 e ) process on atomic hydrogen within a first-order Born treatment of the projectile-atom interaction. Convergence with respect to the number of Floquet-Fourier expansion terms is numerically demonstrated. The illustration shows that the developed method is very efficient for the computation of light-dressed states of an electron moving in a Coulomb potential in the presence of laser radiation.

Stress/strain changes and triggered seismicity following the MW7.3 Landers, California, earthquake

USGS Publications Warehouse

Gomberg, J.

1996-01-01

Calculations of dynamic stresses and strains, constrained by broadband seismograms, are used to investigate their role in generating the remotely triggered seismicity that followed the June 28, 1992, MW7.3 Landers, California earthquake. I compare straingrams and dynamic Coulomb failure functions calculated for the Landers earthquake at sites that did experience triggered seismicity with those at sites that did not. Bounds on triggering thresholds are obtained from analysis of dynamic strain spectra calculated for the Landers and MW,6.1 Joshua Tree, California, earthquakes at various sites, combined with results of static strain investigations by others. I interpret three principal results of this study with those of a companion study by Gomberg and Davis [this issue]. First, the dynamic elastic stress changes themselves cannot explain the spatial distribution of triggered seismicity, particularly the lack of triggered activity along the San Andreas fault system. In addition to the requirement to exceed a Coulomb failure stress level, this result implies the need to invoke and satisfy the requirements of appropriate slip instability theory. Second, results of this study are consistent with the existence of frequency- or rate-dependent stress/strain triggering thresholds, inferred from the companion study and interpreted in terms of earthquake initiation involving a competition of processes, one promoting failure and the other inhibiting it. Such competition is also part of relevant instability theories. Third, the triggering threshold must vary from site to site, suggesting that the potential for triggering strongly depends on site characteristics and response. The lack of triggering along the San Andreas fault system may be correlated with the advanced maturity of its fault gouge zone; the strains from the Landers earthquake were either insufficient to exceed its larger critical slip distance or some other critical failure parameter; or the faults failed stably as aseismic creep events. Variations in the triggering threshold at sites of triggered seismicity may be attributed to variations in gouge zone development and properties. Finally, these interpretations provide ready explanations for the time delays between the Landers earthquake and the triggered events.

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

Erratum to Dynamic stresses, Coulomb failure, and remote triggering and to Surface wave potential for triggering tectonic (nonvolcanic) tremor

USGS Publications Warehouse

Hill, David P.

2012-01-01

Hill (2008) and Hill (2010) contain two technical errors: (1) a missing factor of 2 for computed Love‐wave amplitudes, and (2) a sign error in the off‐diagonal elements in the Euler rotation matrix.

Using the Screened Coulomb Potential to Illustrate the Variational Method

ERIC Educational Resources Information Center

Zuniga, Jose; Bastida, Adolfo; Requena, Alberto

2012-01-01

The screened Coulomb potential, or Yukawa potential, is used to illustrate the application of the single and linear variational methods. The trial variational functions are expressed in terms of Slater-type functions, for which the integrals needed to carry out the variational calculations are easily evaluated in closed form. The variational…

Conduit Stability and Collapse in Explosive Volcanic Eruptions: Coupling Conduit Flow and Failure Models

NASA Astrophysics Data System (ADS)

Mullet, B.; Segall, P.

2017-12-01

Explosive volcanic eruptions can exhibit abrupt changes in physical behavior. In the most extreme cases, high rates of mass discharge are interspaced by dramatic drops in activity and periods of quiescence. Simple models predict exponential decay in magma chamber pressure, leading to a gradual tapering of eruptive flux. Abrupt changes in eruptive flux therefore indicate that relief of chamber pressure cannot be the only control of the evolution of such eruptions. We present a simplified physics-based model of conduit flow during an explosive volcanic eruption that attempts to predict stress-induced conduit collapse linked to co-eruptive pressure loss. The model couples a simple two phase (gas-melt) 1-D conduit solution of the continuity and momentum equations with a Mohr-Coulomb failure condition for the conduit wall rock. First order models of volatile exsolution (i.e. phase mass transfer) and fragmentation are incorporated. The interphase interaction force changes dramatically between flow regimes, so smoothing of this force is critical for realistic results. Reductions in the interphase force lead to significant relative phase velocities, highlighting the deficiency of homogenous flow models. Lateral gas loss through conduit walls is incorporated using a membrane-diffusion model with depth dependent wall rock permeability. Rapid eruptive flux results in a decrease of chamber and conduit pressure, which leads to a critical deviatoric stress condition at the conduit wall. Analogous stress distributions have been analyzed for wellbores, where much work has been directed at determining conditions that lead to wellbore failure using Mohr-Coulomb failure theory. We extend this framework to cylindrical volcanic conduits, where large deviatoric stresses can develop co-eruptively leading to multiple distinct failure regimes depending on principal stress orientations. These failure regimes are categorized and possible implications for conduit flow are discussed, including cessation of eruption.

Communication: practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N(2/3)) storage.

PubMed

Pederson, Mark R

2015-04-14

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N(4)) integrals in the small N limit. For localized functions, in the large N limit, or for planewaves, due to closure, the storage can be reduced to O(N(2)) integrals. Here, it is shown that the storage can be further reduced to O(N(2/3)) for separable basis functions. A practical algorithm, that uses standard one-dimensional Gaussian-quadrature sums, is demonstrated. The resulting algorithm allows for the simultaneous storage, or fast reconstruction, of any two-electron Coulomb integral required for a many-electron calculation on processors with limited memory and disk space. For example, for calculations involving a basis of 9171 planewaves, the memory required to effectively store all Coulomb integrals decreases from 2.8 Gbytes to less than 2.4 Mbytes.

Failure Assessment of Stainless Steel and Titanium Brazed Joints

NASA Technical Reports Server (NTRS)

Flom, Yury A.

2012-01-01

Following successful application of Coulomb-Mohr and interaction equations for evaluation of safety margins in Albemet 162 brazed joints, two additional base metal/filler metal systems were investigated. Specimens consisting of stainless steel brazed with silver-base filler metal and titanium brazed with 1100 Al alloy were tested to failure under combined action of tensile, shear, bending and torsion loads. Finite Element Analysis (FEA), hand calculations and digital image comparison (DIC) techniques were used to estimate failure stresses and construct Failure Assessment Diagrams (FAD). This study confirms that interaction equation R(sub sigma) + R(sub tau) = 1, where R(sub sigma) and R(sub t u) are normal and shear stress ratios, can be used as conservative lower bound estimate of the failure criterion in stainless steel and titanium brazed joints.

Stress imparted by the great 2004 Sumatra earthquake shut down transforms and activated rifts up to 400 km away in the Andaman Sea

USGS Publications Warehouse

Sevilgen, Volkan; Stein, Ross S.; Pollitz, Fred F.

2012-01-01

The origin and prevalence of triggered seismicity and remote aftershocks are under debate. As a result, they have been excluded from probabilistic seismic hazard assessment and aftershock hazard notices. The 2004 M = 9.2 Sumatra earthquake altered seismicity in the Andaman backarc rift-transform system. Here we show that over a 300-km-long largely transform section of the backarc, M≥4.5 earthquakes stopped for five years, and over a 750-km-long backarc section, the rate of transform events dropped by two-thirds, while the rate of rift events increased eightfold. We compute the propagating dynamic stress wavefield and find the peak dynamic Coulomb stress is similar on the rifts and transforms. Long-period dynamic stress amplitudes, which are thought to promote dynamic failure, are higher on the transforms than on the rifts, opposite to the observations. In contrast to the dynamic stress, we calculate that the mainshock brought the transform segments approximately 0.2 bar (0.02 MPa) farther from static Coulomb failure and the rift segments approximately 0.2 bar closer to static failure, consistent with the seismic observations. This accord means that changes in seismicity rate are sufficiently predictable to be included in post-mainshock hazard evaluations.

Stress imparted by the great 2004 Sumatra earthquake shut down transforms and activated rifts up to 400 km away in the Andaman Sea

USGS Publications Warehouse

Sevilgen, Volkan; Stein, Ross S.; Pollitz, Fred F.

2012-01-01

The origin and prevalence of triggered seismicity and remote aftershocks are under debate. As a result, they have been excluded from probabilistic seismic hazard assessment and aftershock hazard notices. The 2004 M = 9.2 Sumatra earthquake altered seismicity in the Andaman backarc rift-transform system. Here we show that over a 300-km-long largely transform section of the backarc, M ≥ 4.5 earthquakes stopped for five years, and over a 750-km-long backarc section, the rate of transform events dropped by two-thirds, while the rate of rift events increased eightfold. We compute the propagating dynamic stress wavefield and find the peak dynamic Coulomb stress is similar on the rifts and transforms. Long-period dynamic stress amplitudes, which are thought to promote dynamic failure, are higher on the transforms than on the rifts, opposite to the observations. In contrast to the dynamic stress, we calculate that the mainshock brought the transform segments approximately 0.2 bar (0.02 MPa) farther from static Coulomb failure and the rift segments approximately 0.2 bar closer to static failure, consistent with the seismic observations. This accord means that changes in seismicity rate are sufficiently predictable to be included in post-mainshock hazard evaluations.

Fano effect dominance over Coulomb blockade in transport properties of parallel coupled quantum dot system

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

Brogi, Bharat Bhushan, E-mail: brogi-221179@yahoo.in; Ahluwalia, P. K.; Chand, Shyam

2015-06-24

Theoretical study of the Coulomb blockade effect on transport properties (Transmission Probability and I-V characteristics) for varied configuration of coupled quantum dot system has been studied by using Non Equilibrium Green Function(NEGF) formalism and Equation of Motion(EOM) method in the presence of magnetic flux. The self consistent approach and intra-dot Coulomb interaction is being taken into account. As the key parameters of the coupled quantum dot system such as dot-lead coupling, inter-dot tunneling and magnetic flux threading through the system can be tuned, the effect of asymmetry parameter and magnetic flux on this tuning is being explored in Coulomb blockademore » regime. The presence of the Coulomb blockade due to on-dot Coulomb interaction decreases the width of transmission peak at energy level ε + U and by adjusting the magnetic flux the swapping effect in the Fano peaks in asymmetric and symmetric parallel configuration sustains despite strong Coulomb blockade effect.« less

Short-lived K2S Molecules in Superionic Potassium Sulfide

NASA Astrophysics Data System (ADS)

Okeya, Yusuke; Tsumuraya, Kazuo

2015-03-01

The first principles molecular dynamics method allows us to elucidate the formation of short-lived K2S molecular states in superionic potassium sulfide. The covalent and the Coulomb bonds exist between the ionized mobile potassiums and the ionized immobile sulfurs. Both the bonds induces indirect covalent and indirect Coulomb attractions between the di-interstitial potassiums on the mid-sulfurs, which forms the short-lived K2S molecular states. The covalent electron density also exists between short-lived potassium dimers. The three attractions reduce Haven's ratios of the potassiums in the conductor. The molecule formation indicates the electronic state of the conductor is intermediate between the ionic and covalent crystals. The absence of the long-lived potassium dimers implies a failure of the caterpillar diffusion model or the Frenkel-Kontorova chain model for the superionic diffusion of the potassiums in the sulfide. The incompletely ionized cations and anions reduce the Coulomb attractions between them which induces the sublattice melting of smaller size of the potassiums than the sulfurs.

Relativistic Coulomb Problem for Z Larger than 137

NASA Astrophysics Data System (ADS)

Alhaidari, A. D.

We propose a relativistic one-parameter Hermitian theory for the Coulomb problem with an electric charge greater than 137. In the nonrelativistic limit, the theory becomes identical to the Schrödinger-Coulomb problem for all Z. Moreover, it agrees with the Dirac-Coulomb problem to order (αZ)2, where α is the fine structure constant. The vacuum in the theory is stable and does not suffer from the "charged vacuum" problem for all Z. Moreover, transition between positive and negative energy states could be eliminated. The relativistic bound states energy spectrum and corresponding spinor wave functions are obtained.

Aftershock triggering by complete Coulomb stress changes

USGS Publications Warehouse

Kilb, Debi; Gomberg, J.; Bodin, P.

2002-01-01

We examine the correlation between seismicity rate change following the 1992, M7.3, Landers, California, earthquake and characteristics of the complete Coulomb failure stress (CFS) changes (??CFS(t)) that this earthquake generated. At close distances the time-varying "dynamic" portion of the stress change depends on how the rupture develops temporally and spatially and arises from radiated seismic waves and from permanent coseismic fault displacement. The permanent "static" portion (??CFS) depends only on the final coseismic displacement. ??CFS diminishes much more rapidly with distance than the transient, dynamic stress changes. A common interpretation of the strong correlation between ??CFS and aftershocks is that load changes can advance or delay failure. Stress changes may also promote failure by physically altering properties of the fault or its environs. Because it is transient, ??CFS(t) can alter the failure rate only by the latter means. We calculate both ??CFS and the maximum positive value of ??CFS(t) (peak ??CFS(t)) using a reflectivity program. Input parameters are constrained by modeling Landers displacement seismograms. We quantify the correlation between maps of seismicity rate changes and maps of modeled ??CFS and peak ??CFS(t) and find agreement for both models. However, rupture directivity, which does not affect ??CFS, creates larger peak ??CFS(t) values northwest of the main shock. This asymmetry is also observed in seismicity rate changes but not in ??CFS. This result implies that dynamic stress changes are as effective as static stress changes in triggering aftershocks and may trigger earthquakes long after the waves have passed.

Stress/strain changes and triggered seismicity at The Geysers, California

USGS Publications Warehouse

Gomberg, J.; Davis, S.

1996-01-01

The principal results of this study of remotely triggered seismicity in The Geysers geothermal field are the demonstration that triggering (initiation of earthquake failure) depends on a critical strain threshold and that the threshold level increases with decreasing frequency or equivalently, depends on strain rate. This threshold function derives from (1) analyses of dynamic strains associated with surface waves of the triggering earthquakes, (2) statistically measured aftershock zone dimensions, and (3) analytic functional representations of strains associated with power production and tides. The threshold is also consistent with triggering by static strain changes and implies that both static and dynamic strains may cause aftershocks. The observation that triggered seismicity probably occurs in addition to background activity also provides an important constraint on the triggering process. Assuming the physical processes underlying earthquake nucleation to be the same, Gomberg [this issue] discusses seismicity triggered by the MW 7.3 Landers earthquake, its constraints on the variability of triggering thresholds with site, and the implications of time delays between triggering and triggered earthquakes. Our results enable us to reject the hypothesis that dynamic strains simply nudge prestressed faults over a Coulomb failure threshold sooner than they would have otherwise. We interpret the rate-dependent triggering threshold as evidence of several competing processes with different time constants, the faster one(s) facilitating failure and the other(s) inhibiting it. Such competition is a common feature of theories of slip instability. All these results, not surprisingly, imply that to understand earthquake triggering one must consider not only simple failure criteria requiring exceedence of some constant threshold but also the requirements for generating instabilities.

Stress/strain changes and triggered seismicity at The Geysers, California

NASA Astrophysics Data System (ADS)

Gomberg, Joan; Davis, Scott

1996-01-01

The principal results of this study of remotely triggered seismicity in The Geysers geothermal field are the demonstration that triggering (initiation of earthquake failure) depends on a critical strain threshold and that the threshold level increases with decreasing frequency, or, equivalently, depends on strain rate. This threshold function derives from (1) analyses of dynamic strains associated with surface waves of the triggering earthquakes, (2) statistically measured aftershock zone dimensions, and (3) analytic functional representations of strains associated with power production and tides. The threshold is also consistent with triggering by static strain changes and implies that both static and dynamic strains may cause aftershocks. The observation that triggered seismicity probably occurs in addition to background activity also provides an important constraint on the triggering process. Assuming the physical processes underlying earthquake nucleation to be the same, Gomberg [this issue] discusses seismicity triggered by the MW 7.3 Landers earthquake, its constraints on the variability of triggering thresholds with site, and the implications of time delays between triggering and triggered earthquakes. Our results enable us to reject the hypothesis that dynamic strains simply nudge prestressed faults over a Coulomb failure threshold sooner than they would have otherwise. We interpret the rate-dependent triggering threshold as evidence of several competing processes with different time constants, the faster one(s) facilitating failure and the other(s) inhibiting it. Such competition is a common feature of theories of slip instability. All these results, not surprisingly, imply that to understand earthquake triggering one must consider not only simple failure criteria requiring exceedence of some constant threshold but also the requirements for generating instabilities.

A new efficient method for calculation of Frenkel exciton parameters in molecular aggregates

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Niehaus, Thomas; Kühn, Oliver

2014-05-01

The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e., monomeric excitation energies and Coulomb couplings between transition densities can be efficiently calculated using time-dependent tight-binding-based density functional theory (TD-DFTB). Specifically, Coulomb couplings are expressed in terms of self-consistently determined Mulliken transition charges. The approach is applied to two dimer systems. First, formaldehyde oxime for which a detailed comparison with standard DFT using the B3LYP and the PBE functionals as well as with SCS-CC2 is provided. Second, the Coulomb coupling is explored in dependence on the intermolecular coordinates for a perylene bisimide dimer. This provides structural evidence for the previously observed biphasic aggregation behavior of this dye.

A theory of local and global processes which affect solar wind electrons. I - The origin of typical 1 AU velocity distribution functions - Steady state theory

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Olbert, S.

1979-01-01

A kinetic theory for the velocity distribution of solar wind electrons which illustrates the global and local properties of the solar wind expansion is proposed. By means of the Boltzmann equation with the Krook collision operator accounting for Coulomb collisions, it is found that Coulomb collisions determine the population and shape of the electron distribution function in both the thermal and suprathermal energy regimes. For suprathermal electrons, the cumulative effects of Coulomb interactions are shown to take place on the scale of the heliosphere itself, whereas the Coulomb interactions of thermal electrons occur on a local scale near the point of observation (1 AU). The bifurcation of the electron distribution between thermal and suprathermal electrons is localized to the deep solar corona (1 to 10 solar radii).

Photoelectron wave function in photoionization: Plane wave or Coulomb wave? [Does photoionization of neutral targets produce Coulomb or plane waves?

DOE PAGES

Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi; ...

2015-10-28

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectronmore » wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. Finally, the results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.« less

Debris-flow mobilization from landslides

USGS Publications Warehouse

Iverson, R.M.; Reid, M.E.; LaHusen, R.G.

1997-01-01

Field observations, laboratory experiments, and theoretical analyses indicate that landslides mobilize to form debris flows by three processes: (a) widespread Coulomb failure within a sloping soil, rock, or sediment mass, (b) partial or complete liquefaction of the mass by high pore-fluid pressures, and (c) conversion of landslide translational energy to internal vibrational energy (i.e. granular temperature). These processes can operate independently, but in many circumstances they appear to operate simultaneously and synergistically. Early work on debris-flow mobilization described a similar interplay of processes but relied on mechanical models in which debris behavior was assumed to be fixed and governed by a Bingham or Bagnold rheology. In contrast, this review emphasizes models in which debris behavior evolves in response to changing pore pressures and granular temperatures. One-dimensional infinite-slope models provide insight by quantifying how pore pressures and granular temperatures can influence the transition from Coulomb failure to liquefaction. Analyses of multidimensional experiments reveal complications ignored in one-dimensional models and demonstrate that debris-flow mobilization may occur by at least two distinct modes in the field.

Coulomb branch operators and mirror symmetry in three dimensions

NASA Astrophysics Data System (ADS)

Dedushenko, Mykola; Fan, Yale; Pufu, Silviu S.; Yacoby, Ran

2018-04-01

We develop new techniques for computing exact correlation functions of a class of local operators, including certain monopole operators, in three-dimensional N=4 abelian gauge theories that have superconformal infrared limits. These operators are position-dependent linear combinations of Coulomb branch operators. They form a one-dimensional topological sector that encodes a deformation quantization of the Coulomb branch chiral ring, and their correlation functions completely fix the ( n ≤ 3)-point functions of all half-BPS Coulomb branch operators. Using these results, we provide new derivations of the conformal dimension of half-BPS monopole operators as well as new and detailed tests of mirror symmetry. Our main approach involves supersymmetric localization on a hemisphere HS 3 with half-BPS boundary conditions, where operator insertions within the hemisphere are represented by certain shift operators acting on the HS 3 wavefunction. By gluing a pair of such wavefunctions, we obtain correlators on S 3 with an arbitrary number of operator insertions. Finally, we show that our results can be recovered by dimensionally reducing the Schur index of 4D N=2 theories decorated by BPS 't Hooft-Wilson loops.

Failure Criteria for FRP Laminates in Plane Stress

NASA Technical Reports Server (NTRS)

Davila, Carlos G.; Camanho, Pedro P.

2003-01-01

A new set of six failure criteria for fiber reinforced polymer laminates is described. Derived from Dvorak's fracture mechanics analyses of cracked plies and from Puck's action plane concept, the physically-based criteria, denoted LaRC03, predict matrix and fiber failure accurately without requiring curve-fitting parameters. For matrix failure under transverse compression, the fracture plane is calculated by maximizing the Mohr-Coulomb effective stresses. A criterion for fiber kinking is obtained by calculating the fiber misalignment under load, and applying the matrix failure criterion in the coordinate frame of the misalignment. Fracture mechanics models of matrix cracks are used to develop a criterion for matrix in tension and to calculate the associated in-situ strengths. The LaRC03 criteria are applied to a few examples to predict failure load envelopes and to predict the failure mode for each region of the envelope. The analysis results are compared to the predictions using other available failure criteria and with experimental results. Predictions obtained with LaRC03 correlate well with the experimental results.

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

Triaxial testing of Lopez Fault gouge at 150 MPa mean effective stress

USGS Publications Warehouse

Scott, D.R.; Lockner, D.A.; Byerlee, J.D.; Sammis, C.G.

1994-01-01

Triaxial compression experiments were performed on samples of natural granular fault gouge from the Lopez Fault in Southern California. This material consists primarily of quartz and has a self-similar grain size distribution thought to result from natural cataclasis. The experiments were performed at a constant mean effective stress of 150 MPa, to expose the volumetric strains associated with shear failure. The failure strength is parameterized by the coefficient of internal friction ??, based on the Mohr-Coulomb failure criterion. Samples of remoulded Lopez gouge have internal friction ??=0.6??0.02. In experiments where the ends of the sample are constrained to remain axially aligned, suppressing strain localisation, the sample compacts before failure and dilates persistently after failure. In experiments where one end of the sample is free to move laterally, the strain localises to a single oblique fault at around the point of failure; some dilation occurs but does not persist. A comparison of these experiments suggests that dilation is confined to the region of shear localisation in a sample. Overconsolidated samples have slightly larger failure strengths than normally consolidated samples, and smaller axial strains are required to cause failure. A large amount of dilation occurs after failure in heavily overconsolidated samples, suggesting that dilation is occurring throughout the sample. Undisturbed samples of Lopez gouge, cored from the outcrop, have internal friction in the range ??=0.4-0.6; the upper end of this range corresponds to the value established for remoulded Lopez gouge. Some kind of natural heterogeneity within the undisturbed samples is probably responsible for their low, variable strength. In samples of simulated gouge, with a more uniform grain size, active cataclasis during axial loading leads to large amounts of compaction. Larger axial strains are required to cause failure in simulated gouge, but the failure strength is similar to that of natural Lopez gouge. Use of the Mohr-Coulomb failure criterion to interpret the results from this study, and other recent studies on intact rock and granular gouge, leads to values of ?? that depend on the loading configuration and the intact or granular state of the sample. Conceptual models are advanced to account for these descrepancies. The consequences for strain-weakening of natural faults are also discussed. ?? 1994 Birkha??user Verlag.

Direct probe of the variability of Coulomb correlation in iron pnictide superconductors

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

Vilmercati, P.; Parks Cheney, C.; Bondino, F.

2012-01-01

We use core-valence-valence Auger spectra to probe the Coulomb repulsion between holes in the valence band of Fe pnictide superconductors. By comparing the two-hole final-state spectra to density functional theory calculations of the single-particle density of states, we extract a measure of the electron correlations that exist in these systems. Our results show that the Coulomb repulsion is highly screened and can definitively be considered as weak. We also find that there are differences between the 1111 and 122 families and even a small variation as a function of the doping x in Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2}. We discussmore » how the values of the hole-hole Coulomb repulsion obtained from our study relate to the onsite Coulomb parameter U used in model and first-principles calculations based on dynamical mean field theory and establish an upper bound for its effective value. Our results impose stringent constraints on model-based phase diagrams that vary with the quantity U or U/W by restricting the latter to a rather small range of values.« less

The Coulomb Branch of 3d N= 4 Theories

NASA Astrophysics Data System (ADS)

Bullimore, Mathew; Dimofte, Tudor; Gaiotto, Davide

2017-09-01

We propose a construction for the quantum-corrected Coulomb branch of a general 3d gauge theory with N=4 supersymmetry, in terms of local coordinates associated with an abelianized theory. In a fixed complex structure, the holomorphic functions on the Coulomb branch are given by expectation values of chiral monopole operators. We construct the chiral ring of such operators, using equivariant integration over BPS moduli spaces. We also quantize the chiral ring, which corresponds to placing the 3d theory in a 2d Omega background. Then, by unifying all complex structures in a twistor space, we encode the full hyperkähler metric on the Coulomb branch. We verify our proposals in a multitude of examples, including SQCD and linear quiver gauge theories, whose Coulomb branches have alternative descriptions as solutions to Bogomolnyi and/or Nahm equations.

Stress imparted by the great 2004 Sumatra earthquake shut down transforms and activated rifts up to 400 km away in the Andaman Sea

PubMed Central

Sevilgen, Volkan; Stein, Ross S.; Pollitz, Fred F.

2012-01-01

The origin and prevalence of triggered seismicity and remote aftershocks are under debate. As a result, they have been excluded from probabilistic seismic hazard assessment and aftershock hazard notices. The 2004 M = 9.2 Sumatra earthquake altered seismicity in the Andaman backarc rift-transform system. Here we show that over a 300-km-long largely transform section of the backarc, M≥4.5 earthquakes stopped for five years, and over a 750-km-long backarc section, the rate of transform events dropped by two-thirds, while the rate of rift events increased eightfold. We compute the propagating dynamic stress wavefield and find the peak dynamic Coulomb stress is similar on the rifts and transforms. Long-period dynamic stress amplitudes, which are thought to promote dynamic failure, are higher on the transforms than on the rifts, opposite to the observations. In contrast to the dynamic stress, we calculate that the mainshock brought the transform segments approximately 0.2 bar (0.02 MPa) farther from static Coulomb failure and the rift segments approximately 0.2 bar closer to static failure, consistent with the seismic observations. This accord means that changes in seismicity rate are sufficiently predictable to be included in post-mainshock hazard evaluations. PMID:22949694

Bayesian estimation of source parameters and associated Coulomb failure stress changes for the 2005 Fukuoka (Japan) Earthquake

NASA Astrophysics Data System (ADS)

Dutta, Rishabh; Jónsson, Sigurjón; Wang, Teng; Vasyura-Bathke, Hannes

2018-04-01

Several researchers have studied the source parameters of the 2005 Fukuoka (northwestern Kyushu Island, Japan) earthquake (Mw 6.6) using teleseismic, strong motion and geodetic data. However, in all previous studies, errors of the estimated fault solutions have been neglected, making it impossible to assess the reliability of the reported solutions. We use Bayesian inference to estimate the location, geometry and slip parameters of the fault and their uncertainties using Interferometric Synthetic Aperture Radar and Global Positioning System data. The offshore location of the earthquake makes the fault parameter estimation challenging, with geodetic data coverage mostly to the southeast of the earthquake. To constrain the fault parameters, we use a priori constraints on the magnitude of the earthquake and the location of the fault with respect to the aftershock distribution and find that the estimated fault slip ranges from 1.5 to 2.5 m with decreasing probability. The marginal distributions of the source parameters show that the location of the western end of the fault is poorly constrained by the data whereas that of the eastern end, located closer to the shore, is better resolved. We propagate the uncertainties of the fault model and calculate the variability of Coulomb failure stress changes for the nearby Kego fault, located directly below Fukuoka city, showing that the main shock increased stress on the fault and brought it closer to failure.

A test of the double-shearing model of flow for granular materials

USGS Publications Warehouse

Savage, J.C.; Lockner, D.A.

1997-01-01

The double-shearing model of flow attributes plastic deformation in granular materials to cooperative slip on conjugate Coulomb shears (surfaces upon which the Coulomb yield condition is satisfied). The strict formulation of the double-shearing model then requires that the slip lines in the material coincide with the Coulomb shears. Three different experiments that approximate simple shear deformation in granular media appear to be inconsistent with this strict formulation. For example, the orientation of the principal stress axes in a layer of sand driven in steady, simple shear was measured subject to the assumption that the Coulomb failure criterion was satisfied on some surfaces (orientation unspecified) within the sand layer. The orientation of the inferred principal compressive axis was then compared with the orientations predicted by the double-shearing model. The strict formulation of the model [Spencer, 1982] predicts that the principal stress axes should rotate in a sense opposite to that inferred from the experiments. A less restrictive formulation of the double-shearing model by de Josselin de Jong [1971] does not completely specify the solution but does prescribe limits on the possible orientations of the principal stress axes. The orientations of the principal compression axis inferred from the experiments are probably within those limits. An elastoplastic formulation of the double-shearing model [de Josselin de Jong, 1988] is reasonably consistent with the experiments, although quantitative agreement was not attained. Thus we conclude that the double-shearing model may be a viable law to describe deformation of granular materials, but the macroscopic slip surfaces will not in general coincide with the Coulomb shears.

BRIEF COMMUNICATION: A note on the Coulomb collision operator in curvilinear coordinates

NASA Astrophysics Data System (ADS)

Goncharov, P. R.

2010-10-01

The dynamic friction force, diffusion tensor, flux density in velocity space and Coulomb collision term are expressed in curvilinear coordinates via Trubnikov potential functions corresponding to each species of a background plasma. For comparison, explicit formulae are given for the dynamic friction force, diffusion tensor and collisional flux density in velocity space in curvilinear coordinates via Rosenbluth potential functions summed over all species of the background plasma.

A Robust, Water-Based, Functional Binder Framework for High-Energy Lithium-Sulfur Batteries.

PubMed

Lacey, Matthew J; Österlund, Viking; Bergfelt, Andreas; Jeschull, Fabian; Bowden, Tim; Brandell, Daniel

2017-07-10

We report here a water-based functional binder framework for the lithium-sulfur battery systems, based on the general combination of a polyether and an amide-containing polymer. These binders are applied to positive electrodes optimised towards high-energy electrochemical performance based only on commercially available materials. Electrodes with up to 4 mAh cm -2 capacity and 97-98 % coulombic efficiency are achievable in electrodes with a 65 % total sulfur content and a poly(ethylene oxide):poly(vinylpyrrolidone) (PEO:PVP) binder system. Exchange of either binder component for a different polymer with similar functionality preserves the high capacity and coulombic efficiency. The improvement in coulombic efficiency from the inclusion of the coordinating amide group was also observed in electrodes where pyrrolidone moieties were covalently grafted to the carbon black, indicating the role of this functionality in facilitating polysulfide adsorption to the electrode surface. The mechanical properties of the electrodes appear not to significantly influence sulfur utilisation or coulombic efficiency in the short term but rather determine retention of these properties over extended cycling. These results demonstrate the robustness of this very straightforward approach, as well as the considerable scope for designing binder materials with targeted properties. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dissipative NEGF methodology to treat short range Coulomb interaction: Current through a 1D nanostructure.

PubMed

Martinez, Antonio; Barker, John R; Di Prieto, Riccardo

2018-06-13

A methodology describing Coulomb blockade in the Non-equilibrium Green Function formalism is presented. We carried out ballistic and dissipative simulations through a 1D quantum dot using an Einstein phonon model. Inelastic phonons with different energies have been considered. The methodology incorporates the short-range Coulomb interaction between two electrons through the use of a two-particle Green's function. Unlike previous work, the quantum dot has spatial resolution i.e. it is not just parameterized by the energy level and coupling constants of the dot. Our method intends to describe the effect of electron localization while maintaining an open boundary or extended wave function. The formalism conserves the current through the nanostructure. A simple 1D model is used to explain the increase of mobility in semi-crystalline polymers as a function of the electron concentration. The mechanism suggested is based on the lifting of energy levels into the transmission window as a result of the local electron-electron repulsion inside a crystalline domain. The results are aligned with recent experimental findings. Finally, as a proof of concept, we present a simulation of a low temperature resonant structure showing the stability diagram in the Coulomb blockade regime. . © 2018 IOP Publishing Ltd.

Effect of Coulomb interaction on chemical potential of metal film

NASA Astrophysics Data System (ADS)

Kostrobij, P. P.; Markovych, B. M.

2018-07-01

The chemical potential of a metal film within the jellium model taking into account the Coulomb interaction between electrons is calculated. The surface potential is modelled as the infinite rectangular potential well. The behaviour of the chemical potential as a function of the film thickness is studied, the quantum size effect for this quantity is analysed. It is shown that taking into account the Coulomb interaction leads to a significant decrease of the chemical potential and to an enhancement of the quantum size effect.

Relativistic and Nuclear Medium Effects on the Coulomb Sum Rule.

PubMed

Cloët, Ian C; Bentz, Wolfgang; Thomas, Anthony W

2016-01-22

In light of the forthcoming high precision quasielastic electron scattering data from Jefferson Lab, it is timely for the various approaches to nuclear structure to make robust predictions for the associated response functions. With this in mind, we focus here on the longitudinal response function and the corresponding Coulomb sum rule for isospin-symmetric nuclear matter at various baryon densities. Using a quantum field-theoretic quark-level approach which preserves the symmetries of quantum chromodynamics, as well as exhibiting dynamical chiral symmetry breaking and quark confinement, we find a dramatic quenching of the Coulomb sum rule for momentum transfers |q|≳0.5  GeV. The main driver of this effect lies in changes to the proton Dirac form factor induced by the nuclear medium. Such a dramatic quenching of the Coulomb sum rule was not seen in a recent quantum Monte Carlo calculation for carbon, suggesting that the Jefferson Lab data may well shed new light on the explicit role of QCD in nuclei.

Solvophilic and solvophobic surfaces and non-Coulombic surface interactions in charge regulating electric double layers

NASA Astrophysics Data System (ADS)

Vangara, R.; van Swol, F.; Petsev, D. N.

2018-01-01

The properties of electric double layers are governed by the interface between the substrate and the adjacent electrolyte solution. This interface is involved in chemical, Coulombic, and non-Coulombic (e.g., van der Waals or Lennard-Jones) interactions with all components of the fluid phase. We present a detailed study of these interactions using a classical density functional approach. A particular focus is placed on the non-Coulombic interactions and their effect on the surface chemistry and charge regulation. The solution structure near the charged interface is also analyzed and used to offer a thorough interpretation of established concepts such as the Stern and diffuse ionic layers.

Introduction

NASA Astrophysics Data System (ADS)

Starosvetsky, Yuli; Jayaprakash, K. R.; Hasan, Md. Arif; Vakakis, Alexander F.

The study of mechanics of granular media dates back to the era of Coulomb. He was the first to postulate the yield condition for homogeneous solids and also conditions for failure in granular media [1-4]. In fact the ideal Coulomb material is the simplest granular material model wherein the shear stress along a plane is linearly proportional to the normal stress on that plane. This can be considered analogous to the Coulomb friction model in cohesion-free interfaces between solids. Initial research in this domain focused mainly on the statics of granular materials from a soil mechanics perspective. However, as the applications of granular materials broadened, the objectives of different research communities contradicted. For example, in geophysics or soil mechanics the objective is to regard granular media with properties of a solid in order to take considerable loads without yielding; on the other hand, in food grain or pharmaceutical industries the granular media is considered as fluids and their rheological properties are of interest. In fact granular media can exhibit both of these behaviors (and also the properties of a gas), and such unique features pave the way for their broad range applications...

Coulombic faulting from the grain scale to the geophysical scale: lessons from ice

NASA Astrophysics Data System (ADS)

Weiss, Jérôme; Schulson, Erland M.

2009-11-01

Coulombic faulting, a concept formulated more than two centuries ago, still remains pertinent in describing the brittle compressive failure of various materials, including rocks and ice. Many questions remain, however, about the physical processes underlying this macroscopic phenomenology. This paper reviews the progress made in these directions during the past few years through the study of ice and its mechanical behaviour in both the laboratory and the field. Fault triggering is associated with the formation of specific features called comb-cracks and involves frictional sliding at the micro(grain)-scale. Similar mechanisms are observed at geophysical scales within the sea ice cover. This scale-independent physics is expressed by the same Coulombic phenomenology from laboratory to geophysical scales, with a very similar internal friction coefficient (μ ≈ 0.8). On the other hand, the cohesion strongly decreases with increasing spatial scale, reflecting the role of stress concentrators on fault initiation. Strong similarities also exist between ice and other brittle materials such as rocks and minerals and between faulting of the sea ice cover and Earth's crust, arguing for the ubiquitous nature of the underlying physics.

A Hybrid Method for Accelerated Simulation of Coulomb Collisions in a Plasma

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

Caflisch, R; Wang, C; Dimarco, G

2007-10-09

If the collisional time scale for Coulomb collisions is comparable to the characteristic time scales for a plasma, then simulation of Coulomb collisions may be important for computation of kinetic plasma dynamics. This can be a computational bottleneck because of the large number of simulated particles and collisions (or phase-space resolution requirements in continuum algorithms), as well as the wide range of collision rates over the velocity distribution function. This paper considers Monte Carlo simulation of Coulomb collisions using the binary collision models of Takizuka & Abe and Nanbu. It presents a hybrid method for accelerating the computation of Coulombmore » collisions. The hybrid method represents the velocity distribution function as a combination of a thermal component (a Maxwellian distribution) and a kinetic component (a set of discrete particles). Collisions between particles from the thermal component preserve the Maxwellian; collisions between particles from the kinetic component are performed using the method of or Nanbu. Collisions between the kinetic and thermal components are performed by sampling a particle from the thermal component and selecting a particle from the kinetic component. Particles are also transferred between the two components according to thermalization and dethermalization probabilities, which are functions of phase space.« less

Perturbed Coulomb Potentials in the Klein-Gordon Equation: Quasi-Exact Solution

NASA Astrophysics Data System (ADS)

Baradaran, M.; Panahi, H.

2018-05-01

Using the Lie algebraic approach, we present the quasi-exact solutions of the relativistic Klein-Gordon equation for perturbed Coulomb potentials namely the Cornell potential, the Kratzer potential and the Killingbeck potential. We calculate the general exact expressions for the energies, corresponding wave functions and the allowed values of the parameters of the potential within the representation space of sl(2) Lie algebra. In addition, we show that the considered equations can be transformed into the Heun's differential equations and then we reproduce the results using the associated special functions. Also, we study the special case of the Coulomb potential and show that in the non-relativistic limit, the solution of the Klein-Gordon equation converges to that of Schrödinger equation.

The Coulomb Branch of 3d $${\\mathcal{N}= 4}$$ N = 4 Theories

DOE PAGES

Bullimore, Mathew; Dimofte, Tudor; Gaiotto, Davide

2017-06-03

We propose a construction for the quantum-corrected Coulomb branch of a general 3d gauge theory with N=4 supersymmetry, in terms of local coordinates associated with an abelianized theory. In a fixed complex structure, the holomorphic functions on the Coulomb branch are given by expectation values of chiral monopole operators. We construct the chiral ring of such operators, using equivariant integration over BPS moduli spaces. We also quantize the chiral ring, which corresponds to placing the 3d theory in a 2d Omega background. Then, by unifying all complex structures in a twistor space, we encode the full hyperkähler metric on themore » Coulomb branch. We verify our proposals in a multitude of examples, including SQCD and linear quiver gauge theories, whose Coulomb branches have alternative descriptions as solutions to Bogomolnyi and/or Nahm equations.« less

Dynamics of DNA breathing: weak noise analysis, finite time singularity, and mapping onto the quantum Coulomb problem.

PubMed

Fogedby, Hans C; Metzler, Ralf

2007-12-01

We study the dynamics of denaturation bubbles in double-stranded DNA on the basis of the Poland-Scheraga model. We show that long time distributions for the survival of DNA bubbles and the size autocorrelation function can be derived from an asymptotic weak noise approach. In particular, below the melting temperature the bubble closure corresponds to a noisy finite time singularity. We demonstrate that the associated Fokker-Planck equation is equivalent to a quantum Coulomb problem. Below the melting temperature, the bubble lifetime is associated with the continuum of scattering states of the repulsive Coulomb potential; at the melting temperature, the Coulomb potential vanishes and the underlying first exit dynamics exhibits a long time power law tail; above the melting temperature, corresponding to an attractive Coulomb potential, the long time dynamics is controlled by the lowest bound state. Correlations and finite size effects are discussed.

Ganymede's Stresses Past and Present: How Evolving Eccentricity Effects Tidally-Driven Coulomb Failure

NASA Astrophysics Data System (ADS)

Cameron, M. E.; Smith-Konter, B. R.; Burkhard, L. M.; Patthoff, D. A.; Pappalardo, R. T.; Collins, G. C.

2017-12-01

Laplace-like resonances among Ganymede, Europa, and Io may have once led Ganymede to have an eccentricity as high as 0.07 (presently e = 0.0013). While diurnal stresses at Ganymede today are small (<10 kPa), a previous period of high eccentricity may have produced significant diurnal tidal stresses that influenced faulting during a past period of active tectonism. We investigate the role of tidal stresses on faulting by using the numerical model SatStress to calculate both diurnal and non-synchronous rotation (NSR) tidal stresses at Ganymede's surface. We assume an NSR rate of 105 years, and steady-state rotation of a viscoelastic ice shell of viscosity 1019 Pa s, yielding stresses on the order of MPa. We adopt two end-member models: (1) present-day Ganymede, and (2) Ganymede in the past (e = 0.05). For the present-day model, we assume a spherical ice shell of thickness 150 km (upper 10 km is cold, stiff ice), underlain by a 40 km deep global subsurface ocean. For the warmer past model, we assume a 100 km ice shell (upper 2 km is cold, stiff ice), and a 140 km ocean. We resolve normal and shear stress components onto discrete fault segments of specified orientation and assess Coulomb failure stress criteria along three previously inferred shear zones: Dardanus Sulcus, Tiamat Sulcus, and Nun Sulci. Models of stress contributions from only the diurnal tidal cycle are strongly dependent on eccentricity, while combined diurnal and NSR stress models are largely insensitive due to large (MPa) NSR stresses. For the diurnal only model, failure is not expected for the present eccentricity along any of the three shear zones. For the past, high eccentricity case, failure is predicted in isolated diurnal slip windows and limited to very shallow depths (< 250 m). This model predicts a dominant right-lateral slip window for both Dardanus and Tiamat Sulcus and significant right- and left-lateral slip windows are predicted along both north and south branches of Nun Sulci. Likewise, the sense of inferred shear from imagery and structural mapping efforts is right-lateral for Dardanus and Tiamat Sulcus, and left-lateral for Nun Sulci. Moreover, a low coefficient of friction (μf = 0.2) Coulomb failure model of right- and left- lateral slip episodes over a diurnal cycle could indicate a plausible case for tidal walking in Ganymede's high-eccentricity past.

Reply to "Comment on 'Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit' ".

PubMed

Gebremedhin, Daniel H; Weatherford, Charles A

2015-02-01

This is a response to the comment we received on our recent paper "Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit." In that paper, we introduced a computational algorithm that is appropriate for solving stiff initial value problems, and which we applied to the one-dimensional time-independent Schrödinger equation with a soft Coulomb potential. We solved for the eigenpairs using a shooting method and hence turned it into an initial value problem. In particular, we examined the behavior of the eigenpairs as the softening parameter approached zero (hard Coulomb limit). The commenters question the existence of the ground state of the hard Coulomb potential, which we inferred by extrapolation of the softening parameter to zero. A key distinction between the commenters' approach and ours is that they consider only the half-line while we considered the entire x axis. Based on mathematical considerations, the commenters consider only a vanishing solution function at the origin, and they question our conclusion that the ground state of the hard Coulomb potential exists. The ground state we inferred resembles a δ(x), and hence it cannot even be addressed based on their argument. For the excited states, there is agreement with the fact that the particle is always excluded from the origin. Our discussion with regard to the symmetry of the excited states is an extrapolation of the soft Coulomb case and is further explained herein.

Carcass Functions in Variational Calculations for Few-Body Systems

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

Donchev, A.G.; Kalachev, S.A.; Kolesnikov, N.N.

For variational calculations of molecular and nuclear systems involving a few particles, it is proposed to use carcass basis functions that generalize exponential and Gaussian trial functions. It is shown that the matrix elements of the Hamiltonian are expressed in a closed form for a Coulomb potential, as well as for other popular particle-interaction potentials. The use of such carcass functions in two-center Coulomb problems reduces, in relation to other methods, the number of terms in a variational expansion by a few orders of magnitude at a commensurate or even higher accuracy. The efficiency of the method is illustrated bymore » calculations of the three-particle Coulomb systems {mu}{mu}e, ppe, dde, and tte and the four-particle molecular systems H{sub 2} and HeH{sup +} of various isotopic composition. By considering the example of the {sub {lambda}}{sup 9}Be hypernucleus, it is shown that the proposed method can be used in calculating nuclear systems as well.« less

Failure Assessment of Brazed Structures

NASA Technical Reports Server (NTRS)

Flom, Yuri

2012-01-01

Despite the great advances in analytical methods available to structural engineers, designers of brazed structures have great difficulties in addressing fundamental questions related to the loadcarrying capabilities of brazed assemblies. In this chapter we will review why such common engineering tools as Finite Element Analysis (FEA) as well as many well-established theories (Tresca, von Mises, Highest Principal Stress, etc) don't work well for the brazed joints. This chapter will show how the classic approach of using interaction equations and the less known Coulomb-Mohr failure criterion can be employed to estimate Margins of Safety (MS) in brazed joints.

Coulomb Interactions in Hanbury Brown-Twiss Experiments with Electrons

ERIC Educational Resources Information Center

Shen, Kan

2009-01-01

This dissertation examines the effect of Coulomb interactions in Hanbury Brown-Twiss (HBT) type experiments with electrons. HBT experiments deal with intensity interference, which is related to the second-order correlation function of the particle field. This is an extension of the usual amplitude interference experiment, such as Young's…

Gold Nanoparticles on Functionalized Silicon Substrate under Coulomb Blockade Regime: An Experimental and Theoretical Investigation.

PubMed

Pluchery, Olivier; Caillard, Louis; Dollfus, Philippe; Chabal, Yves J

2018-01-18

Single charge electronics offer a way for disruptive technology in nanoelectronics. Coulomb blockade is a realistic way for controlling the electric current through a device with the accuracy of one electron. In such devices the current exhibits a step-like increase upon bias which reflects the discrete nature of the fundamental charge. We have assembled a double tunnel junction on an oxide-free silicon substrate that exhibits Coulomb staircase characteristics using gold nanoparticles (AuNPs) as Coulomb islands. The first tunnel junction is an insulating layer made of a grafted organic monolayer (GOM) developed for this purpose. The GOM also serves for attaching AuNPs covalently. The second tunnel junction is made by the tip of an STM. We show that this device exhibits reproducible Coulomb blockade I-V curves at 40 K in vacuum. We also show that depending on the doping of the silicon substrate, the whole Coulomb staircase can be adjusted. We have developed a simulation approach based on the orthodox theory that was completed by calculating the bias dependent tunnel barriers and by including an accurate calculation of the band bending. This model accounts for the experimental data and the doping dependence of Coulomb oscillations. This study opens new perspectives toward designing new kind of single electron transistors (SET) based on this dependence of the Coulomb staircase with the charge carrier concentration.

Convoluted Quasi Sturmian basis for the two-electron continuum

NASA Astrophysics Data System (ADS)

Ancarani, Lorenzo Ugo; Zaytsev, A. S.; Zaytsev, S. A.

2016-09-01

In the construction of solutions for the Coulomb three-body scattering problem one encounters a series of mathematical and numerical difficulties, one of which are the cumbersome boundary conditions the wave function should obey. We propose to describe a Coulomb three-body system continuum with a set of two-particle functions, named Convoluted Quasi Sturmian (CQS) in. They are built using recently introduced Quasi Sturmian (QS) functions which have the merit of possessing a closed form. Unlike a simple product of two one-particle functions, by construction, the CQS functions look asymptotically like a six-dimensional outgoing spherical wave. The proposed CQS basis is tested through the study of the double ionization of helium by high-energy electron impact in the framework of the Temkin-Poet model. An adequate logarithmic-like phase factor is further included in order to take into account the Coulomb interelectronic interaction and formally build the correct asymptotic behavior when all interparticle distances are large. With such a phase-factor (that can be easily extended to take into account higher partial waves) rapid convergence of the expansion can be obtained.

Photoelectron wave function in photoionization: plane wave or Coulomb wave?

PubMed

Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

2015-11-19

The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion.

Surface-wave potential for triggering tectonic (nonvolcanic) tremor

USGS Publications Warehouse

Hill, D.P.

2010-01-01

Source processes commonly posed to explain instances of remote dynamic triggering of tectonic (nonvolcanic) tremor by surface waves include frictional failure and various modes of fluid activation. The relative potential for Love- and Rayleigh-wave dynamic stresses to trigger tectonic tremor through failure on critically stressed thrust and vertical strike-slip faults under the Coulomb-Griffith failure criteria as a function of incidence angle is anticorrelated over the 15- to 30-km-depth range that hosts tectonic tremor. Love-wave potential is high for strike-parallel incidence on low-angle reverse faults and null for strike-normal incidence; the opposite holds for Rayleigh waves. Love-wave potential is high for both strike-parallel and strike-normal incidence on vertical, strike-slip faults and minimal for ~45?? incidence angles. The opposite holds for Rayleigh waves. This pattern is consistent with documented instances of tremor triggered by Love waves incident on the Cascadia mega-thrust and the San Andreas fault (SAF) in central California resulting from shear failure on weak faults (apparent friction, ????? 0.2). However, documented instances of tremor triggered by surface waves with strike-parallel incidence along the Nankai megathrust beneath Shikoku, Japan, is associated primarily with Rayleigh waves. This is consistent with the tremor bursts resulting from mixed-mode failure (crack opening and shear failure) facilitated by near-lithostatic ambient pore pressure, low differential stress, with a moderate friction coefficient (?? ~ 0.6) on the Nankai subduction interface. Rayleigh-wave dilatational stress is relatively weak at tectonic tremor source depths and seems unlikely to contribute significantly to the triggering process, except perhaps for an indirect role on the SAF in sustaining tremor into the Rayleigh-wave coda that was initially triggered by Love waves.

Surface-wave potential for triggering tectonic (nonvolcanic) tremor-corrected

USGS Publications Warehouse

Hill, David P.

2012-01-01

Source processes commonly posed to explain instances of remote dynamic triggering of tectonic (nonvolcanic) tremor by surface waves include frictional failure and various modes of fluid activation. The relative potential for Love- and Rayleigh-wave dynamic stresses to trigger tectonic tremor through failure on critically stressed thrust and vertical strike-slip faults under the Coulomb-Griffith failure criteria as a function of incidence angle are anticorrelated over the 15- to 30-km-depth range that hosts tectonic tremor. Love-wave potential is high for strike-parallel incidence on low-angle reverse faults and null for strike-normal incidence; the opposite holds for Rayleigh waves. Love-wave potential is high for both strike-parallel and strike-normal incidence on vertical, strike-slip faults and minimal for ~45° incidence angles. The opposite holds for Rayleigh waves. This pattern is consistent with documented instances of tremor triggered by Love waves incident on the Cascadia megathrust and the San Andreas fault (SAF) in central California resulting from shear failure on weak faults (apparent friction is μ* ≤ 0:2). Documented instances of tremor triggered by surface waves with strike-parallel incidence along the Nankai megathrust beneath Shikoku, Japan, however, are associated primarily with Rayleigh waves. This is consistent with the tremor bursts resulting from mixed-mode failure (crack opening and shear failure) facilitated by near-lithostatic ambient pore pressure, low differential stress, with a moderate friction coefficient (μ ~ 0:6) on the Nankai subduction interface. Rayleigh-wave dilatational stress is relatively weak at tectonic tremor source depths and seems unlikely to contribute significantly to the triggering process, except perhaps for an indirect role on the SAF in sustaining tremor into the Rayleigh-wave coda that was initially triggered by Love waves.

The role of shear and tensile failure in dynamically triggered landslides

USGS Publications Warehouse

Gipprich, T.L.; Snieder, R.K.; Jibson, R.W.; Kimman, W.

2008-01-01

Dynamic stresses generated by earthquakes can trigger landslides. Current methods of landslide analysis such as pseudo-static analysis and Newmark's method focus on the effects of earthquake accelerations on the landslide mass to characterize dynamic landslide behaviour. One limitation of these methods is their use Mohr-Coulomb failure criteria, which only accounts for shear failure, but the role of tensile failure is not accounted for. We develop a limit-equilibrium model to investigate the dynamic stresses generated by a given ground motion due to a plane wave and use this model to assess the role of shear and tensile failure in the initiation of slope instability. We do so by incorporating a modified Griffith failure envelope, which combines shear and tensile failure into a single criterion. Tests of dynamic stresses in both homogeneous and layered slopes demonstrate that two modes of failure exist, tensile failure in the uppermost meters of a slope and shear failure at greater depth. Further, we derive equations that express the dynamic stress in the near-surface in the acceleration measured at the surface. These equations are used to approximately define the depth range for each mechanism of failure. The depths at which these failure mechanisms occur suggest that shear and tensile failure might collaborate in generating slope failure. ?? 2007 The Authors Journal compilation ?? 2007 RAS.

Response of seismicity to Coulomb stress triggers and shadows of the 1999 Mw=7.6 Chi-Chi, Taiwan, earthquake

USGS Publications Warehouse

Ma, K.-F.; Chan, C.-H.; Stein, R.S.

2005-01-01

The correlation between static Coulomb stress increases and aftershocks has thus far provided the strongest evidence that stress changes promote seismicity, a correlation that the Chi-Chi earthquake well exhibits. Several studies have deepened the argument by resolving stress changes on aftershock focal mechanisms, which removes the assumption that the aftershocks are optimally oriented for failure. Here one compares the percentage of planes on which failure is promoted after the main shock relative to the percentage beforehand. For Chi-Chi we find a 28% increase for thrust and an 18% increase for strike-slip mechanisms, commensurate with increases reported for other large main shocks. However, perhaps the chief criticism of static stress triggering is the difficulty in observing predicted seismicity rate decreases in the stress shadows, or sites of Coulomb stress decrease. Detection of sustained drops in seismicity rate demands a long catalog with a low magnitude of completeness and a high seismicity rate, conditions that are met at Chi-Chi. We find four lobes with statistically significant seismicity rate declines of 40-90% for 50 months, and they coincide with the stress shadows calculated for strike-slip faults, the dominant faulting mechanism. The rate drops are evident in uniform cell calculations, 100-month time series, and by visual inspection of the M ??? 3 seismicity. An additional reason why detection of such declines has proven so rare emerges from this study: there is a widespread increase in seismicity rate during the first 3 months after Chi-Chi, and perhaps many other main shocks, that might be associated with a different mechanism. Copyright 2005 by the American Geophysical Union.

Resolution of identity approximation for the Coulomb term in molecular and periodic systems.

PubMed

Burow, Asbjörn M; Sierka, Marek; Mohamed, Fawzi

2009-12-07

A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 muhartree per atom, for both molecular and periodic systems.

Resolution of identity approximation for the Coulomb term in molecular and periodic systems

NASA Astrophysics Data System (ADS)

Burow, Asbjörn M.; Sierka, Marek; Mohamed, Fawzi

2009-12-01

A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 μhartree per atom, for both molecular and periodic systems.

Crossover from impurity to valence band in diluted magnetic semiconductors: Role of Coulomb attraction by acceptors

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

Popescu, Florentin; Sen, Cengiz; Dagotto, Elbio R

2007-01-01

The crossover between an impurity band (IB) and a valence band (VB) regime as a function of the magnetic impurity concentration in a model for diluted magnetic semiconductors (DMSs) is studied systematically by taking into consideration the Coulomb attraction between the carriers and the magnetic impurities. The density of states and the ferromagnetic transition temperature of a spin-fermion model applied to DMSs are evaluated using dynamical mean-field theory and Monte Carlo (MC) calculations. It is shown that the addition of a square-well-like attractive potential can generate an IB at small enough Mn doping x for values of the p-d exchangemore » J that are not strong enough to generate one by themselves. We observe that the IB merges with the VB when x>=xc where xc is a function of J and the Coulomb strength V. Using MC simulations, we demonstrate that the range of the Coulomb attraction plays an important role. While the on-site attraction, which has been used in previous numerical simulations, effectively renormalizes J for all values of x, an unphysical result, a nearest-neighbor range attraction renormalizes J only at very low dopings, i.e., until the bound holes wave functions start to overlap. Thus, our results indicate that the Coulomb attraction can be neglected to study Mn-doped GaSb, GaAs, and GaP in the relevant doping regimes, but it should be included in the case of Mn-doped GaN, which is expected to be in the IB regime.« less

Stress change and fault interaction from a two century-long earthquake sequence in the central Tell Atlas (Algeria)

NASA Astrophysics Data System (ADS)

Kariche, Jughurta; Meghraoui, Mustapha; Ayadi, Abdelhakim; Salah Boughacha, Mohamed

2017-04-01

We study the role and distribution of stress transfer that may trigger destructive earthquakes in the Central Tell Atlas (Algeria). A sequence of historical events reaching Ms 7.3 and related stress tensors with thrust faulting mechanisms allows the modeling of the Coulomb Failure Function (deltaCFF). We explore here the physical parameters for a stress transfer along the Tell thrust-and-fold belt taking into account an eastward trending earthquake migration from 1891 to 2003. The Computation integrated the seismicity rate in the deltaCFF computation, which is in good agreement with the migration seismicity. The stress transfer progression and increase of 0.1 to 0.8 bar are obtained on fault planes at 7-km-depth with a friction coefficient µ' 0.4 showing stress loading lobes on targeted coseismic fault zone and location of stress shadow across other thrust-and-fold regions. The Coulomb modeling suggests a distinction in earthquake triggering between zones with moderate-sized and large earthquake ruptures. Recent InSAR and levelling studies and aftershocks that document postseismic deformation of major earthquakes are integrated into the static stress change calculations. The presence of fluid and related poroelastic deformation can be considered as an open question with regards to their contribution to major earthquakes and their implications in the seismic hazard assessment of northern Algeria.

Dynamic stresses, Coulomb failure, and remote triggering

USGS Publications Warehouse

Hill, D.P.

2008-01-01

Dynamic stresses associated with crustal surface waves with 15-30-sec periods and peak amplitudes 5 km). The latter is consistent with the observation that extensional or transtensional tectonic regimes are more susceptible to remote triggering by Rayleigh-wave dynamic stresses than compressional or transpressional regimes. Locally elevated pore pressures may have a role in the observed prevalence of dynamic triggering in extensional regimes and geothermal/volcanic systems.

Coulomb energy of uniformly charged spheroidal shell systems.

PubMed

Jadhao, Vikram; Yao, Zhenwei; Thomas, Creighton K; de la Cruz, Monica Olvera

2015-03-01

We provide exact expressions for the electrostatic energy of uniformly charged prolate and oblate spheroidal shells. We find that uniformly charged prolate spheroids of eccentricity greater than 0.9 have lower Coulomb energy than a sphere of the same area. For the volume-constrained case, we find that a sphere has the highest Coulomb energy among all spheroidal shells. Further, we derive the change in the Coulomb energy of a uniformly charged shell due to small, area-conserving perturbations on the spherical shape. Our perturbation calculations show that buckling-type deformations on a sphere can lower the Coulomb energy. Finally, we consider the possibility of counterion condensation on the spheroidal shell surface. We employ a Manning-Oosawa two-state model approximation to evaluate the renormalized charge and analyze the behavior of the equilibrium free energy as a function of the shell's aspect ratio for both area-constrained and volume-constrained cases. Counterion condensation is seen to favor the formation of spheroidal structures over a sphere of equal area for high values of shell volume fractions.

Quasi-stationary states and fermion pair creation from a vacuum in supercritical Coulomb field

NASA Astrophysics Data System (ADS)

Khalilov, V. R.

2017-12-01

Creation of charged fermion pair from a vacuum in so-called supercritical Coulomb potential is examined for the case when fermions can move only in the same (one) plane. In which case, quantum dynamics of charged massive or massless fermions can be described by the two-dimensional Dirac Hamiltonians with an usual (-a/r) Coulomb potential. These Hamiltonians are singular and require the additional definition in order for them to be treated as self-adjoint quantum-mechanical operators. We construct the self-adjoint two-dimensional Dirac Hamiltonians with a Coulomb potential and determine the quantum-mechanical states for such Hamiltonians in the corresponding Hilbert spaces of square-integrable functions. We determine the scattering amplitude in which the self-adjoint extension parameter is incorporated and then obtain equations implicitly defining possible discrete energy spectra of the self-adjoint Dirac Hamiltonians with a Coulomb potential. It is shown that this quantum system becomes unstable in the presence of a supercritical Coulomb potential which manifests in the appearance of quasi-stationary states in the lower (negative) energy continuum. The energy spectrum of those states is quasi-discrete, consists of broadened levels with widths related to the inverse lifetimes of the quasi-stationary states as well as the probability of creation of charged fermion pair by a supercritical Coulomb field. Explicit analytical expressions for the creation probabilities of charged (massive or massless) fermion pair are obtained in a supercritical Coulomb field.

Glacial isostatic stress shadowing by the Antarctic ice sheet

NASA Technical Reports Server (NTRS)

Ivins, E. R.; James, T. S.; Klemann, V.

2005-01-01

Numerous examples of fault slip that offset late Quaternary glacial deposits and bedrock polish support the idea that the glacial loading cycle causes earthquakes in the upper crust. A semianalytical scheme is presented for quantifying glacial and postglacial lithospheric fault reactivation using contemporary rock fracture prediction methods. It extends previous studies by considering differential Mogi-von Mises stresses, in addition to those resulting from a Coulomb analysis. The approach utilizes gravitational viscoelastodynamic theory and explores the relationships between ice mass history and regional seismicity and faulting in a segment of East Antarctica containing the great Antarctic Plate (Balleny Island) earthquake of 25 March 1998 (Mw 8.1). Predictions of the failure stress fields within the seismogenic crust are generated for differing assumptions about background stress orientation, mantle viscosity, lithospheric thickness, and possible late Holocene deglaciation for the D91 Antarctic ice sheet history. Similar stress fracture fields are predicted by Mogi-von Mises and Coulomb theory, thus validating previous rebound Coulomb analysis. A thick lithosphere, of the order of 150-240 km, augments stress shadowing by a late melting (middle-late Holocene) coastal East Antarctic ice complex and could cause present-day earthquakes many hundreds of kilometers seaward of the former Last Glacial Maximum grounding line.

The influence of Coulomb correlations on nonequilibrium quantum transport in quadruple quantum-dot structure

NASA Astrophysics Data System (ADS)

Kagan, M. Yu.; Aksenov, S. V.

2018-04-01

The description of quantum transport in a quadruple quantum-dot structure (QQD) is proposed taking into account the Coulomb correlations and nonzero bias voltages. To achieve this goal the combination of nonequilibrium Green's functions and equation-of-motion technique is used. It is shown that the anisotropy of kinetic processes in the QQD leads to negative differential conductance (NDC). The reason of the effect is an interplay of the Fano resonances which are induced by the interdot Coulomb correlations. Different ways to increase the peak-to-valley ratio related to the observed NDC are discussed.

Space-Pseudo-Time Method: Application to the One-Dimensional Coulomb Potential and Density Funtional Theory

NASA Astrophysics Data System (ADS)

Weatherford, Charles; Gebremedhin, Daniel

2016-03-01

A new and efficient way of evolving a solution to an ordinary differential equation is presented. A finite element method is used where we expand in a convenient local basis set of functions that enforce both function and first derivative continuity across the boundaries of each element. We also implement an adaptive step size choice for each element that is based on a Taylor series expansion. The method is applied to solve for the eigenpairs of the one-dimensional soft-coulomb potential and the hard-coulomb limit is studied. The method is then used to calculate a numerical solution of the Kohn-Sham differential equation within the local density approximation is presented and is applied to the helium atom. Supported by the National Nuclear Security Agency, the Nuclear Regulatory Commission, and the Defense Threat Reduction Agency.

Mechanics of gravitational spreading of steep-sided ridges («sackung»)

USGS Publications Warehouse

Savage, W.Z.; Varnes, D.J.

1987-01-01

Large-scale gravitational spreading of steep-sided ridges characterized by linear fissures, trenches, and uphill-facing scarps high on the sides and tops of ridges are known worldwide. Such spreading, termed sackung, is commonly attributed to pervasive plastic deformation of a rock mass, and is here analyzed as such. Beginning with a previously developed exact elastic solution for gravity-induced stresses in a symmetric ridge, stresses calculated from the exact solution are used in the Coulomb failure criterion to determine the extent of ridge failure under self-weight. Finally, when the regions of failure are established, a plastic flow solution is applied to predict the location of and sense of movement on upward-facing scarps near ridge crests and other features common in sackung. ?? 1987 International Assocaition of Engineering Geology.

Communication: Practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N{sup 2/3}) storage

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

Pederson, Mark R., E-mail: mark.pederson@science.doe.gov

2015-04-14

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N{sup 4}) integrals in the small N limit. For localized functions, in the large N limit, or for planewaves, due to closure, the storage can be reduced to O(N{sup 2}) integrals. Here, it is shown that the storage can be further reduced to O(N{sup 2/3}) for separable basis functions. A practical algorithm, that uses standard one-dimensional Gaussian-quadrature sums, is demonstrated. The resulting algorithm allows for the simultaneous storage, or fast reconstruction, of any two-electron Coulombmore » integral required for a many-electron calculation on processors with limited memory and disk space. For example, for calculations involving a basis of 9171 planewaves, the memory required to effectively store all Coulomb integrals decreases from 2.8 Gbytes to less than 2.4 Mbytes.« less

Failure Models and Criteria for FRP Under In-Plane or Three-Dimensional Stress States Including Shear Non-Linearity

NASA Technical Reports Server (NTRS)

Pinho, Silvestre T.; Davila, C. G.; Camanho, P. P.; Iannucci, L.; Robinson, P.

2005-01-01

A set of three-dimensional failure criteria for laminated fiber-reinforced composites, denoted LaRC04, is proposed. The criteria are based on physical models for each failure mode and take into consideration non-linear matrix shear behaviour. The model for matrix compressive failure is based on the Mohr-Coulomb criterion and it predicts the fracture angle. Fiber kinking is triggered by an initial fiber misalignment angle and by the rotation of the fibers during compressive loading. The plane of fiber kinking is predicted by the model. LaRC04 consists of 6 expressions that can be used directly for design purposes. Several applications involving a broad range of load combinations are presented and compared to experimental data and other existing criteria. Predictions using LaRC04 correlate well with the experimental data, arguably better than most existing criteria. The good correlation seems to be attributable to the physical soundness of the underlying failure models.

Analysis of Mancos shale failure in light of localization theory for transversely isotropic materials.

NASA Astrophysics Data System (ADS)

Ingraham, M. D.; Dewers, T. A.; Heath, J. E.

2016-12-01

Utilizing the localization conditions laid out in Rudnicki 2002, the failure of a series of tests performed on Mancos shale has been analyzed. Shale specimens were tested under constant mean stress conditions in an axisymmetric stress state, with specimens cored both parallel and perpendicular to bedding. Failure data indicates that for the range of pressures tested the failure surface is well represented by a Mohr- Coulomb failure surface with a friction angle of 34.4 for specimens cored parallel to bedding, and 26.5 for specimens cored perpendicular to bedding. There is no evidence of a yield cap up to 200 MPa mean stress. Comparison with the theory shows that the best agreement in terms of band angles comes from assuming normality of the plastic strain increment. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Statistical analysis of lithium iron sulfide status cell cycle life and failure mode

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

Gay, E.C.; Battles, J.E.; Miller, W.E.

1983-08-01

A statistical model was developed for life cycle testing of electrochemical cell life cycle trials and verified experimentally. The Weibull distribution was selected to predict the end of life for a cell, based on a 20 percent loss of initial stabilized capacity or a decrease to less than 95 percent coulombic efficiency. Groups of 12 or more Li-alloy/FeS cells were cycled to determine the mean time to failure (MTTF) and also to identify the failure modes. The cells were all full size electric vehicle batteries with 150-350 A-hr capacity. The Weibull shape factors were determined and verified in prediction ofmore » the number of cell failures in two 10 cell modules. The short circuit failure in the cells with BN-felt and MgO powder separators were found to be caused by the formation of Li-Al protrusions that penetrated the BN-felt separators, and the extrusion of active material at the edge of the electrodes.« less

Ionic fluids with r-6 pair interactions have power-law electrostatic screening

NASA Astrophysics Data System (ADS)

Kjellander, Roland; Forsberg, Björn

2005-06-01

The decay behaviour of radial distribution functions for large distances r is investigated for classical Coulomb fluids where the ions interact with an r-6 potential (e.g. a dispersion interaction) in addition to the Coulombic and the short-range repulsive potentials (e.g. a hard core). The pair distributions and the density-density (NN), charge-density (QN) and charge-charge (QQ) correlation functions are investigated analytically and by Monte Carlo simulations. It is found that the NN correlation function ultimately decays like r-6 for large r, just as it does for fluids of electroneutral particles interacting with an r-6 potential. The prefactor is proportional to the squared compressibility in both cases. The QN correlations decay in general like r-8 and the QQ correlations like r-10 in the ionic fluid. The average charge density around an ion decays generally like r-8 and the average electrostatic potential like r-6. This behaviour is in stark contrast to the decay behaviour for classical Coulomb fluids in the absence of the r-6 potential, where all these functions decay exponentially for large r. The power-law decays are, however, the same as for quantum Coulomb fluids. This indicates that the inclusion of the dispersion interaction as an effective r-6 interaction potential in classical systems yields the same decay behaviour for the pair correlations as in quantum ionic systems. An exceptional case is the completely symmetric binary electrolyte for which only the NN correlation has a power-law decay but not the QQ correlations. These features are shown by an analysis of the bridge function.

Temperature-Dependent Ellipsometry Measurements of Partial Coulomb Energy in Superconducting Cuprates

DOE PAGES

Levallois, J.; Tran, M. K.; Pouliot, D.; ...

2016-08-24

Here we performed an experimental study of the temperature and doping dependence of the energy-loss function of the bilayer and trilayer bismuth cuprates family. The primary aim is to obtain information on the energy stored in the Coulomb interaction between the conduction electrons, on the temperature dependence thereof, and on the change of Coulomb interaction when Cooper pairs are formed. We performed temperature-dependent ellipsometry measurements on several Bi 2Sr 2CaCu 2O 8₋x single crystals: underdoped with T c=60, 70, and 83 K; optimally doped with T c=91 K; overdoped with T c=84, 81, 70, and 58 K; as well asmore » optimally doped Bi 2Sr 2Ca 2Cu 3O 10+x with T c=110 K. Our first observation is that, as the temperature drops through T c, the loss function in the range up to 2 eV displays a change of temperature dependence as compared to the temperature dependence in the normal state. This effect at—or close to—T c depends strongly on doping, with a sign change for weak overdoping. The size of the observed change in Coulomb energy, using an extrapolation with reasonable assumptions about its q dependence, is about the same size as the condensation energy that has been measured in these compounds. Our results therefore lend support to the notion that the Coulomb energy is an important factor for stabilizing the superconducting phase. Lastly, because of the restriction to small momentum, our observations do not exclude a possible significant contribution to the condensation energy of the Coulomb energy associated with the region of q around (π,π).« less

Multiple logic functions from extended blockade region in a silicon quantum-dot transistor

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

Lee, Youngmin; Lee, Sejoon, E-mail: sejoon@dongguk.edu; Im, Hyunsik

2015-02-14

We demonstrate multiple logic-functions at room temperature on a unit device of the Si single electron transistor (SET). Owing to the formation of the multi-dot system, the device exhibits the enhanced Coulomb blockade characteristics (e.g., large peak-to-valley current ratio ∼200) that can improve the reliability of the SET-based logic circuits. The SET displays a unique feature useful for the logic applications; namely, the Coulomb oscillation peaks are systematically shifted by changing either of only the gate or the drain voltage. This enables the SET to act as a multi-functional one-transistor logic gate with AND, OR, NAND, and XOR functions.

A DYNAMIC DENSITY FUNCTIONAL THEORY APPROACH TO DIFFUSION IN WHITE DWARFS AND NEUTRON STAR ENVELOPES

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

Diaw, A.; Murillo, M. S.

2016-09-20

We develop a multicomponent hydrodynamic model based on moments of the Born–Bogolyubov–Green–Kirkwood–Yvon hierarchy equations for physical conditions relevant to astrophysical plasmas. These equations incorporate strong correlations through a density functional theory closure, while transport enters through a relaxation approximation. This approach enables the introduction of Coulomb coupling correction terms into the standard Burgers equations. The diffusive currents for these strongly coupled plasmas is self-consistently derived. The settling of impurities and its impact on cooling can be greatly affected by strong Coulomb coupling, which we show can be quantified using the direct correlation function.

Solution of D dimensional Dirac equation for coulombic potential using NU method and its thermodynamics properties

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

Cari, C., E-mail: cari@staff.uns.ac.id; Suparmi, A., E-mail: soeparmi@staff.uns.ac.id; Yunianto, M., E-mail: muhtaryunianto@staff.uns.ac.id

2016-02-08

The analytical solution of Ddimensional Dirac equation for Coulombic potential is investigated using Nikiforov-Uvarov method. The D dimensional relativistic energy spectra are obtained from relativistic energy eigenvalue equation by using Mat Lab software.The corresponding D dimensional radial wave functions are formulated in the form of generalized Jacobi and Laguerre Polynomials. In the non-relativistic limit, the relativistic energy equation reduces to the non-relativistic energy which will be applied to determine some thermodynamical properties of the system. The thermodynamical properties of the system are expressed in terms of error function and imaginary error function.

Modeling Current Transfer from PV Modules Based on Meteorological Data

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

Hacke, Peter; Smith, Ryan; Kurtz, Sarah

2016-11-21

Current transferred from the active cell circuit to ground in modules undergoing potential-induced degradation (PID) stress is analyzed with respect to meteorological data. Duration and coulombs transferred as a function of whether the module is wet (from dew or rain) or the extent of uncondensed surface humidity are quantified based on meteorological indicators. With this, functions predicting the mode and rate of coulomb transfer are developed for use in estimating the relative PID stress associated with temperature, moisture, and system voltage in any climate. Current transfer in a framed crystalline silicon module is relatively high when there is no condensedmore » water on the module, whereas current transfer in a thin-film module held by edge clips is not, and displays a greater fraction of coulombs transferred when wet compared to the framed module in the natural environment.« less

A New Kinematic Model for Polymodal Faulting: Implications for Fault Connectivity

NASA Astrophysics Data System (ADS)

Healy, D.; Rizzo, R. E.

2015-12-01

Conjugate, or bimodal, fault patterns dominate the geological literature on shear failure. Based on Anderson's (1905) application of the Mohr-Coulomb failure criterion, these patterns have been interpreted from all tectonic regimes, including normal, strike-slip and thrust (reverse) faulting. However, a fundamental limitation of the Mohr-Coulomb failure criterion - and others that assume faults form parallel to the intermediate principal stress - is that only plane strain can result from slip on the conjugate faults. However, deformation in the Earth is widely accepted as being three-dimensional, with truly triaxial stresses and strains. Polymodal faulting, with three or more sets of faults forming and slipping simultaneously, can generate three-dimensional strains from truly triaxial stresses. Laboratory experiments and outcrop studies have verified the occurrence of the polymodal fault patterns in nature. The connectivity of polymodal fault networks differs significantly from conjugate fault networks, and this presents challenges to our understanding of faulting and an opportunity to improve our understanding of seismic hazards and fluid flow. Polymodal fault patterns will, in general, have more connected nodes in 2D (and more branch lines in 3D) than comparable conjugate (bimodal) patterns. The anisotropy of permeability is therefore expected to be very different in rocks with polymodal fault patterns in comparison to conjugate fault patterns, and this has implications for the development of hydrocarbon reservoirs, the genesis of ore deposits and the management of aquifers. In this contribution, I assess the published evidence and models for polymodal faulting before presenting a novel kinematic model for general triaxial strain in the brittle field.

An analytically solvable three-body break-up model problem in hyperspherical coordinates

NASA Astrophysics Data System (ADS)

Ancarani, L. U.; Gasaneo, G.; Mitnik, D. M.

2012-10-01

An analytically solvable S-wave model for three particles break-up processes is presented. The scattering process is represented by a non-homogeneous Coulombic Schrödinger equation where the driven term is given by a Coulomb-like interaction multiplied by the product of a continuum wave function and a bound state in the particles coordinates. The closed form solution is derived in hyperspherical coordinates leading to an analytic expression for the associated scattering transition amplitude. The proposed scattering model contains most of the difficulties encountered in real three-body scattering problem, e.g., non-separability in the electrons' spherical coordinates and Coulombic asymptotic behavior. Since the coordinates' coupling is completely different, the model provides an alternative test to that given by the Temkin-Poet model. The knowledge of the analytic solution provides an interesting benchmark to test numerical methods dealing with the double continuum, in particular in the asymptotic regions. An hyperspherical Sturmian approach recently developed for three-body collisional problems is used to reproduce to high accuracy the analytical results. In addition to this, we generalized the model generating an approximate wave function possessing the correct radial asymptotic behavior corresponding to an S-wave three-body Coulomb problem. The model allows us to explore the typical structure of the solution of a three-body driven equation, to identify three regions (the driven, the Coulombic and the asymptotic), and to analyze how far one has to go to extract the transition amplitude.

Stress triggering in thrust and subduction earthquakes and stress interaction between the southern San Andreas and nearby thrust and strike-slip faults

USGS Publications Warehouse

Lin, J.; Stein, R.S.

2004-01-01

We argue that key features of thrust earthquake triggering, inhibition, and clustering can be explained by Coulomb stress changes, which we illustrate by a suite of representative models and by detailed examples. Whereas slip on surface-cutting thrust faults drops the stress in most of the adjacent crust, slip on blind thrust faults increases the stress on some nearby zones, particularly above the source fault. Blind thrusts can thus trigger slip on secondary faults at shallow depth and typically produce broadly distributed aftershocks. Short thrust ruptures are particularly efficient at triggering earthquakes of similar size on adjacent thrust faults. We calculate that during a progressive thrust sequence in central California the 1983 Mw = 6.7 Coalinga earthquake brought the subsequent 1983 Mw = 6.0 Nunez and 1985 Mw = 6.0 Kettleman Hills ruptures 10 bars and 1 bar closer to Coulomb failure. The idealized stress change calculations also reconcile the distribution of seismicity accompanying large subduction events, in agreement with findings of prior investigations. Subduction zone ruptures are calculated to promote normal faulting events in the outer rise and to promote thrust-faulting events on the periphery of the seismic rupture and its downdip extension. These features are evident in aftershocks of the 1957 Mw = 9.1 Aleutian and other large subduction earthquakes. We further examine stress changes on the rupture surface imparted by the 1960 Mw = 9.5 and 1995 Mw = 8.1 Chile earthquakes, for which detailed slip models are available. Calculated Coulomb stress increases of 2-20 bars correspond closely to sites of aftershocks and postseismic slip, whereas aftershocks are absent where the stress drops by more than 10 bars. We also argue that slip on major strike-slip systems modulates the stress acting on nearby thrust and strike-slip faults. We calculate that the 1857 Mw = 7.9 Fort Tejon earthquake on the San Andreas fault and subsequent interseismic slip brought the Coalinga fault ???1 bar closer to failure but inhibited failure elsewhere on the Coast Ranges thrust faults. The 1857 earthquake also promoted failure on the White Wolf reverse fault by 8 bars, which ruptured in the 1952 Mw = 7.3 Kern County shock but inhibited slip on the left-lateral Garlock fault, which has not ruptured since 1857. We thus contend that stress transfer exerts a control on the seismicity of thrust faults across a broad spectrum of spatial and temporal scales. Copyright 2004 by the American Geophysical Union.

Interpolating the Coulomb phase of little string theory

DOE PAGES

Lin, Ying -Hsuan; Shao, Shu -Heng; Wang, Yifan; ...

2015-12-03

We study up to 8-derivative terms in the Coulomb branch effective action of (1,1) little string theory, by collecting results of 4-gluon scattering amplitudes from both perturbative 6D super-Yang-Mills theory up to 4-loop order, and tree-level double scaled little string theory (DSLST). In previous work we have matched the 6-derivative term from the 6D gauge theory to DSLST, indicating that this term is protected on the entire Coulomb branch. The 8-derivative term, on the other hand, is unprotected. In this paper we compute the 8-derivative term by interpolating from the two limits, near the origin and near the infinity onmore » the Coulomb branch, numerically from SU(k) SYM and DSLST respectively, for k=2,3,4,5. We discuss the implication of this result on the UV completion of 6D SYM as well as the strong coupling completion of DSLST. As a result, we also comment on analogous interpolating functions in the Coulomb phase of circle-compactified (2,0) little string theory.« less

A Coulomb explosion strategy to tailor the nano-architecture of α-MoO3 nanobelts and an insight into its intrinsic mechanism.

PubMed

Zhang, Junli; Zhu, Liu; Yang, Yu; Yong, Huadong; Zhang, Junwei; Peng, Yong; Fu, Jiecai

2018-05-03

Tailoring the nanoarchitecture of materials is significant for the development of nanoscience and nanotechnology. To date, one of the most powerful strategies is convergent electron beam irradiation (EBI). However, only two main functions of knock-on or atomic displacement have been achieved to date. In this study, a Coulomb explosion phenomenon was found to occur in α-MoO3 nanobelts (NBs) under electron beam irradiation, which was controllable and could be used to efficiently create nanostructures such as holes, gaps, and other atomic/nanometer patterns on a single α-MoO3 NB. Theoretical simulations starting from the charging state, charging rate to the threshold time of Coulomb explosion reveal that the Coulomb explosion phenomenon should result from positive charging. The results also show that the multiple charged regions are quickly fragmented, and the monolayered α-MoO3 pieces can then be peeled off once the Coulombic repulsion is sufficient to break the Mo-O bonds in the crystalline structure. It is believed that this efficient and versatile strategy may open up a new avenue to tailor α-MoO3 NBs or other kind of transition metal dichalcogenides via the Coulomb explosion effect.

Effect of Coulomb collision on the negative ion extraction mechanism in negative ion sources.

PubMed

Goto, I; Miyamoto, K; Nishioka, S; Mattei, S; Lettry, J; Abe, S; Hatayama, A

2016-02-01

To improve the H(-) ion beam optics, it is necessary to understand the energy relaxation process of surface produced H(-) ions in the extraction region of Cs seeded H(-) ion sources. Coulomb collisions of charged particles have been introduced to the 2D3V-PIC (two dimension in real space and three dimension in velocity space particle-in-cell) model for the H(-) extraction by using the binary collision model. Due to Coulomb collision, the lower energy part of the ion energy distribution function of H(-) ions has been greatly increased. The mean kinetic energy of the surface produced H(-) ions has been reduced to 0.65 eV from 1.5 eV. It has been suggested that the beam optics of the extracted H(-) ion beam is strongly affected by the energy relaxation process due to Coulomb collision.

Incoherent radar spectra in the auroral ionosphere in the presence of a large electric field: The effect of O+-O+ Coulomb collisions

NASA Astrophysics Data System (ADS)

Barghouthi, I. A.

2005-06-01

We have used Monte Carlo simulations of O+ velocity distributions in the high latitude F- region to improve the calculation of incoherent radar spectra in auroral ionosphere. The Monte Carlo simulation includes ionneutral, O+-O collisions (resonant charge exchange and polarization interaction) as well as O+-O+ Coulomb self-collisions. At high altitudes, atomic oxygen O and atomic oxygen ion O+ dominate the composition of the auroral ionosphere and consequently, the influence of O+-O+ Coulomb collisions becomes significant. In this study we consider the effect of O+-O+ Coulomb collisions on the incoherent radar spectra in the presence of large electric field (100 mVm-1). As altitude increases (i.e. the ion-to-neutral density ratio increases) the role of O+-O+ Coulomb self-collisions becomes significant, therefore, the one-dimensional, 1-D, O+ ion velocity distribution function becomes more Maxwellian and the features of the radar spectrum corresponding to non-Maxwellian ion velocity distribution (e.g. baby bottle and triple hump shapes) evolve to Maxwellian ion velocity distribution (single and double hump shapes). Therefore, O+-O+ Coulomb self-collisions act to isotropize the 1-D O+ velocity distribution by transferring thermal energy from the perpendicular direction to the parallel direction, however the convection electric field acts to drive the O+ ions away from equilibrium and consequently, non-Maxwellian O+ ion velocity distributions appeared. Therefore, neglecting O+-O+ Coulomb self-collisions overestimates the effect of convection electric field.

Precision measurement of quasi-elastic transverse and longitudinal response functions in the range 0.55 GeV/c lte |q-right arrow| lte 1.0 GeV/c

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

Atac, Hamza

The Coulomb Sum is defined by the quasi-elastic nucleon knock-out process and it is the integration of the longitudinal response function over the energy loss of the incident electron. The Coulomb sum goes to the total charge at large q. The existing measurements of the Coulomb Sum Rule show disagreement with the theoretical calculations for the medium and heavy nuclei. To find the reason behind the disagreement might answer the question of whether the properties of the nucleons are affected by the nuclear medium or not. In order to determine the Coulomb Sum in nuclei, a precision measurement of inclusivemore » electron scattering in the quasi-elastic region was performed at the Thomas Jefferson National Accelerator Facility. Incident electrons with energies ranging from 0.4 GeV to 4 GeV scattered off 4He,12C,56Fe and 208Pb nuclei at four scattering angles (15 deg.; 60 deg.; 90 deg.; 120 deg.) and scattered energies ranging from 0.1 GeV to 4 GeV. The Born cross sections were extracted for the Left High Resolution Spectrometer (LHRS) and the Right High Resolution Spectrometer 56Fe data. The Rosenbluth separation was performed to extract the transverse and longitudinal response functions at 650 MeV three-momentum transfer. The preliminary results of the longitudinal and transverse functions were extracted for 56Fe target at 650 MeV three-momentum transfer.« less

Electrostatic screening in classical Coulomb fluids: exponential or power-law decay or both? An investigation into the effect of dispersion interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2006-04-01

It is shown that the nature of the non-electrostatic part of the pair interaction potential in classical Coulomb fluids can have a profound influence on the screening behaviour. Two cases are compared: (i) when the non-electrostatic part equals an arbitrary finite-ranged interaction and (ii) when a dispersion r-6 interaction potential is included. A formal analysis is done in exact statistical mechanics, including an investigation of the bridge function. It is found that the Coulombic r-1 and the dispersion r-6 potentials are coupled in a very intricate manner as regards the screening behaviour. The classical one-component plasma (OCP) is a particularly clear example due to its simplicity and is investigated in detail. When the dispersion r-6 potential is turned on, the screened electrostatic potential from a particle goes from a monotonic exponential decay, exp(-κr)/r, to a power-law decay, r-8, for large r. The pair distribution function acquire, at the same time, an r-10 decay for large r instead of the exponential one. There still remains exponentially decaying contributions to both functions, but these contributions turn oscillatory when the r-6 interaction is switched on. When the Coulomb interaction is turned off but the dispersion r-6 pair potential is kept, the decay of the pair distribution function for large r goes over from the r-10 to an r-6 behaviour, which is the normal one for fluids of electroneutral particles with dispersion interactions. Differences and similarities compared to binary electrolytes are pointed out.

Basis convergence of range-separated density-functional theory.

PubMed

Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

The Coulomb problem on a 3-sphere and Heun polynomials

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

Bellucci, Stefano; Yeghikyan, Vahagn; Yerevan State University, Alex-Manoogian st. 1, 00025 Yerevan

2013-08-15

The paper studies the quantum mechanical Coulomb problem on a 3-sphere. We present a special parametrization of the ellipto-spheroidal coordinate system suitable for the separation of variables. After quantization we get the explicit form of the spectrum and present an algebraic equation for the eigenvalues of the Runge-Lentz vector. We also present the wave functions expressed via Heun polynomials.

Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases.

PubMed

Bircher, Martin P; Rothlisberger, Ursula

2018-06-12

Linear-response time-dependent density functional theory (LR-TD-DFT) has become a valuable tool in the calculation of excited states of molecules of various sizes. However, standard generalized-gradient approximation and hybrid exchange-correlation (xc) functionals often fail to correctly predict charge-transfer (CT) excitations with low orbital overlap, thus limiting the scope of the method. The Coulomb-attenuation method (CAM) in the form of the CAM-B3LYP functional has been shown to reliably remedy this problem in many CT systems, making accurate predictions possible. However, in spite of a rather consistent performance across different orbital overlap regimes, some pitfalls remain. Here, we present a fully flexible and adaptable implementation of the CAM for Γ-point calculations within the plane-wave pseudopotential molecular dynamics package CPMD and explore how customized xc functionals can improve the optical spectra of some notorious cases. We find that results obtained using plane waves agree well with those from all-electron calculations employing atom-centered bases, and that it is possible to construct a new Coulomb-attenuated xc functional based on simple considerations. We show that such a functional is able to outperform CAM-B3LYP in some cases, while retaining similar accuracy in systems where CAM-B3LYP performs well.

Increasing critical sensitivity of the Load/Unload Response Ratio before large earthquakes with identified stress accumulation pattern

NASA Astrophysics Data System (ADS)

Yu, Huai-zhong; Shen, Zheng-kang; Wan, Yong-ge; Zhu, Qing-yong; Yin, Xiang-chu

2006-12-01

The Load/Unload Response Ratio (LURR) method is proposed for short-to-intermediate-term earthquake prediction [Yin, X.C., Chen, X.Z., Song, Z.P., Yin, C., 1995. A New Approach to Earthquake Prediction — The Load/Unload Response Ratio (LURR) Theory, Pure Appl. Geophys., 145, 701-715]. This method is based on measuring the ratio between Benioff strains released during the time periods of loading and unloading, corresponding to the Coulomb Failure Stress change induced by Earth tides on optimally oriented faults. According to the method, the LURR time series usually climb to an anomalously high peak prior to occurrence of a large earthquake. Previous studies have indicated that the size of critical seismogenic region selected for LURR measurements has great influence on the evaluation of LURR. In this study, we replace the circular region usually adopted in LURR practice with an area within which the tectonic stress change would mostly affect the Coulomb stress on a potential seismogenic fault of a future event. The Coulomb stress change before a hypothetical earthquake is calculated based on a simple back-slip dislocation model of the event. This new algorithm, by combining the LURR method with our choice of identified area with increased Coulomb stress, is devised to improve the sensitivity of LURR to measure criticality of stress accumulation before a large earthquake. Retrospective tests of this algorithm on four large earthquakes occurred in California over the last two decades show remarkable enhancement of the LURR precursory anomalies. For some strong events of lesser magnitudes occurred in the same neighborhoods and during the same time periods, significant anomalies are found if circular areas are used, and are not found if increased Coulomb stress areas are used for LURR data selection. The unique feature of this algorithm may provide stronger constraints on forecasts of the size and location of future large events.

Irreducible Green's functions method for a quantum dot coupled to metallic and superconducting leads

NASA Astrophysics Data System (ADS)

Górski, Grzegorz; Kucab, Krzysztof

2017-05-01

Using irreducible Green's functions (IGF) method we analyse the Coulomb interaction dependence of the spectral functions and the transport properties of a quantum dot coupled to isotropic superconductor and metallic leads (SC-QD-N). The irreducible Green's functions method is the modification of classical equation of motion technique. The IGF scheme is based on differentiation of double-time Green's functions, both over the primary and secondary times. The IGF method allows to obtain the spectral functions for equilibrium and non-equilibrium impurity Anderson model used for SC-QD-N system. By the numerical computations, we show the change of spectral and the anomalous densities under the influence of the Coulomb interactions. The observed sign change of the anomalous spectral density can be used as the criterion of the SC singlet-Kondo singlet transition.

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Self-adjoint realisations of the Dirac-Coulomb Hamiltonian for heavy nuclei

NASA Astrophysics Data System (ADS)

Gallone, Matteo; Michelangeli, Alessandro

2018-02-01

We derive a classification of the self-adjoint extensions of the three-dimensional Dirac-Coulomb operator in the critical regime of the Coulomb coupling. Our approach is solely based upon the Kreĭn-Višik-Birman extension scheme, or also on Grubb's universal classification theory, as opposite to previous works within the standard von Neumann framework. This let the boundary condition of self-adjointness emerge, neatly and intrinsically, as a multiplicative constraint between regular and singular part of the functions in the domain of the extension, the multiplicative constant giving also immediate information on the invertibility property and on the resolvent and spectral gap of the extension.

Solution of the relativistic asymptotic equations in electron-ion scattering

NASA Astrophysics Data System (ADS)

Young, I. G.; Norrington, P. H.

1994-12-01

Two asymptotic expansions are suggested for the solution of the coupled equations for the radial channel wavefunctions arising from the treament of electron-ion scattering using the Dirac Hamiltonian. The recurrence relations obtained for the expansions coefficients are given. A method is suggested for calculation of the one-electron Dirac-Coulomb functions used in the second expansion using solutions of the non-relativistic Coulomb equation with complex arguments.

Time-dependent photon heat transport through a mesoscopic Josephson device

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

Lu, Wen-Ting; Zhao, Hong-Kang, E-mail: zhaohonk@bit.edu.cn

The time-oscillating photon heat current through a dc voltage biased mesoscopic Josephson Junction (MJJ) has been investigated by employing the nonequilibrium Green’s function approach. The Landauer-like formula of photon heat current has been derived in both of the Fourier space and its time-oscillating versions, where Coulomb interaction, self inductance, and magnetic flux take effective roles. Nonlinear behaviors are exhibited in the photon heat current due to the quantum nature of MJJ and applied external dc voltage. The magnitude of heat current decreases with increasing the external bias voltage, and subtle oscillation structures appear as the superposition of different photon heatmore » branches. The overall period of heat current with respect to time is not affected by Coulomb interaction, however, the magnitude and phase of it vary considerably by changing the Coulomb interaction. - Highlights: • The time-oscillating photon heat current through a mesoscopic Josephson Junction has been investigated. • The Landauer-like formula of photon heat current has been derived by the nonequilibrium Green’s function approach. • Nonlinear behaviors are exhibited in the photon heat current resulting from the self inductance and Coulomb interaction. • The oscillation structure of heat current is composed of the superposition of oscillations with different periods.« less

Source model and Coulomb stress change of 2017 Mw 6.5 Philippine (Ormoc) Earthquake revealed by SAR interferometry

NASA Astrophysics Data System (ADS)

Tsai, M. C.; Hu, J. C.; Yang, Y. H.; Hashimoto, M.; Aurelio, M.; Su, Z.; Escudero, J. A.

2017-12-01

Multi-sight and high spatial resolution interferometric SAR data enhances our ability for mapping detailed coseismic deformation to estimate fault rupture model and to infer the Coulomb stress change associated with a big earthquake. Here, we use multi-sight coseismic interferograms acquired by ALOS-2 and Sentinel-1A satellites to estimate the fault geometry and slip distribution on the fault plane of the 2017 Mw 6.5 Ormoc Earthquake in Leyte island of Philippine. The best fitting model predicts that the coseismic rupture occurs along a fault plane with strike of 325.8º and dip of 78.5ºE. This model infers that the rupture of 2017 Ormoc earthquake is dominated by left-lateral slip with minor dip-slip motion, consistent with the left-lateral strike-slip Philippine fault system. The fault tip has propagated to the ground surface, and the predicted coseismic slip on the surface is about 1 m located at 6.5 km Northeast of Kananga city. Significant slip is concentrated on the fault patches at depth of 0-8 km and an along-strike distance of 20 km with varying slip magnitude from 0.3 m to 2.3 m along the southwest segment of this seismogenic fault. Two minor coseismic fault patches are predicted underneath of the Tononan geothermal field and the creeping segment of the northwest portion of this seismogenic fault. This implies that the high geothermal gradient underneath of the Tongonan geothermal filed could prevent heated rock mass from the coseismic failure. The seismic moment release of our preferred fault model is 7.78×1018 Nm, equivalent to Mw 6.6 event. The Coulomb failure stress (CFS) calculated by the preferred fault model predicts significant positive CFS change on the northwest segment of the Philippine fault in Leyte Island which has coseismic slip deficit and is absent from aftershocks. Consequently, this segment should be considered to have increasing of risk for future seismic hazard.

First-principles investigation of quantum transport through an endohedral N@C60 in the Coulomb blockade regime.

PubMed

Yu, Zhizhou; Chen, Jian; Zhang, Lei; Wang, Jian

2013-12-11

We report an investigation of Coulomb blockade transport through an endohedral N@C60 weakly coupled with aluminum leads, employing the first-principles method combined with the Keldysh non-equilibrium Green's function derived from the equation of motion beyond the Hartree-Fock approximation. The differential conductance characteristics of the molecular device are calculated within the Coulomb blockade regime, which shows the Coulomb diamond as observed experimentally. When the gate voltage is less than that of the degeneracy point, there are two peaks in the differential conductance with an excited state induced by the change of the exchange interaction between the spin of C60 and the encapsulated nitrogen atom due to the transition from N@C(1-)(60) to N@C(2-)(60), while for a gate voltage larger than that of the degeneracy point, no excited state is available due to the quenching of exchange energy. As a result, there is only one Coulomb blockade peak in the differential conductance from the electron tunneling through the highest energy level below the Fermi level. Our first-principles results are in good agreement with experimental data obtained by an endohedral N@C60 molecular device.

Is internal friction friction?

USGS Publications Warehouse

Savage, J.C.; Byerlee, J.D.; Lockner, D.A.

1996-01-01

Mogi [1974] proposed a simple model of the incipient rupture surface to explain the Coulomb failure criterion. We show here that this model can plausibly be extended to explain the Mohr failure criterion. In Mogi's model the incipient rupture surface immediately before fracture consists of areas across which material integrity is maintained (intact areas) and areas across which it is not (cracks). The strength of the incipient rupture surface is made up of the inherent strength of the intact areas plus the frictional resistance to sliding offered by the cracked areas. Although the coefficient of internal friction (slope of the strength versus normal stress curve) depends upon both the frictional and inherent strengths, the phenomenon of internal friction can be identified with the frictional part. The curvature of the Mohr failure envelope is interpreted as a consequence of differences in damage (cracking) accumulated in prefailure loading at different confining pressures.

Imaginary parts of coupled electron and phonon propagators

NASA Astrophysics Data System (ADS)

Schwartzman, K.; Lawrence, W. E.

1988-01-01

Quasiparticle and phonon damping rates due to the electron-phonon and Coulomb interactions are obtained directly from the self-energy formalism of strong-coupling theory. This accounts for all processes involving phonon or quasiparticle decay into a single particle-hole pair, or quasiparticle decay by emission or absorption of a single real phonon. The two quasiparticle decay modes are treated on a common footing, without ad hoc separation, by accounting fully for the dynamics of the phonon propagator and the Coulomb vertex-the latter by expansion of the four-point Coulomb vertex function. The results are shown to be expressible in terms of only the physical (i.e., fully renormalized) energies and coupling constants, and are written in terms of spectral functions such as α2F(ω) and its generalizations. Expansion of these in powers of a phonon linewidth parameter distinguishes (in lowest orders) between quasiparticle decay modes involving real and virtual phonons. However, the simplest prescription for calculating decay rates involves an effective scattering amplitude in which this distinction is not made.

Exact linearized Coulomb collision operator in the moment expansion

DOE PAGES

Ji, Jeong -Young; Held, Eric D.

2006-10-05

In the moment expansion, the Rosenbluth potentials, the linearized Coulomb collision operators, and the moments of the collision operators are analytically calculated for any moment. The explicit calculation of Rosenbluth potentials converts the integro-differential form of the Coulomb collision operator into a differential operator, which enables one to express the collision operator in a simple closed form for any arbitrary mass and temperature ratios. In addition, it is shown that gyrophase averaging the collision operator acting on arbitrary distribution functions is the same as the collision operator acting on the corresponding gyrophase averaged distribution functions. The moments of the collisionmore » operator are linear combinations of the fluid moments with collision coefficients parametrized by mass and temperature ratios. Furthermore, useful forms involving the small mass-ratio approximation are easily found since the collision operators and their moments are expressed in terms of the mass ratio. As an application, the general moment equations are explicitly written and the higher order heat flux equation is derived.« less

Basis convergence of range-separated density-functional theory

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

Franck, Odile, E-mail: odile.franck@etu.upmc.fr; Mussard, Bastien, E-mail: bastien.mussard@upmc.fr; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. Wemore » study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.« less

The 1954 Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes: A triggered normal faulting sequence

NASA Astrophysics Data System (ADS)

Hodgkinson, Kathleen M.; Stein, Ross S.; King, Geoffrey C. P.

1996-11-01

In 1954, four earthquakes of M > 6.0 occurred within a 30 km radius in a period of six months. The Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes are among the largest to have been recorded geodetically in the Basin and Range province. The Fairview Peak earthquake (M = 7.2, December 12, 1954) followed two events in the Rainbow Mountains (M = 6.2, July 6, and M = 6.5, August 24, 1954) by 6 months. Four minutes later the Dixie Valley fault ruptured (M = 6.7, December 12, 1954). The changes in static stresses caused by the events are calculated using the Coulomb-Navier failure criterion and assuming uniform slip on rectangular dislocations embedded in an elastic half-space. Coulomb stress changes are resolved on optimally oriented faults and on each of the faults that ruptured in the chain of events. These calculations show that each earthquake in the Rainbow Mountain-Fairview Peak-Dixie Valley sequence was preceded by a static stress change that encouraged failure. The magnitude of the stress increases transferred from one earthquake to another ranged from 0.01 MPa (0.1 bar) to over 0.1 MPa (1 bar). Stresses were reduced by up to 0.1 MPa over most of the Rainbow Mountain-Fairview Peak area as a result of the earthquake sequence.

The 1954 Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes: A triggered normal faulting sequence

USGS Publications Warehouse

Hodgkinson, K.M.; Stein, R.S.; King, G.C.P.

1996-01-01

In 1954, four earthquakes of M > 6.0 occurred within a 30 km radius in a period of six months. The Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes are among the largest to have been recorded geodetically in the Basin and Range province. The Fairview Peak earthquake (M=7.2, December 12, 1954) followed two events in the Rainbow Mountains (M=6.2, July 6, and M=6.5, August 24, 1954) by 6 months. Four minutes later the Dixie Valley fault ruptured (M=6.7, December 12, 1954). The changes in static stresses caused by the events are calculated using the Coulomb-Navier failure criterion and assuming uniform slip on rectangular dislocations embedded in an elastic half-space. Coulomb stress changes are resolved on optimally oriented faults and on each of the faults that ruptured in the chain of events. These calculations show that each earthquake in the Rainbow Mountain-Fairview Peak-Dixie Valley sequence was preceded by a static stress change that encouraged failure. The magnitude of the stress increases transferred from one earthquake to another ranged from 0.01 MPa (0.1 bar) to over 0.1 MPa (1 bar). Stresses were reduced by up to 0.1 MPa over most of the Rainbow Mountain-Fairview Peak area as a result of the earthquake sequence. Copyright 1996 by the American Geophysical Union.

Stress transfer among en echelon and opposing thrusts and tear faults: Triggering caused by the 2003 Mw = 6.9 Zemmouri, Algeria, earthquake

USGS Publications Warehouse

Lin, J.; Stein, R.S.; Meghraoui, M.; Toda, S.; Ayadi, A.; Dorbath, C.; Belabbes, S.

2011-01-01

The essential features of stress interaction among earthquakes on en echelon thrusts and tear faults were investigated, first through idealized examples and then by study of thrust faulting in Algeria. We calculated coseismic stress changes caused by the 2003 Mw = 6.9 Zemmouri earthquake, finding that a large majority of the Zemmouri afterslip sites were brought several bars closer to Coulomb failure by the coseismic stresses, while the majority of aftershock nodal planes were brought closer to failure by an average of ~2 bars. Further, we calculated that the shallow portions of the adjacent Thenia tear fault, which sustained ~0.25 m slip, were brought >2 bars closer to failure. We calculated that the Coulomb stress increased by 1.5 bars on the deeper portions of the adjacent Boumerdes thrust, which lies just 10–20 km from the city of Algiers; both the Boumerdes and Thenia faults were illuminated by aftershocks. Over the next 6 years, the entire south dipping thrust system extending 80 km to the southwest experienced an increased rate of seismicity. The stress also increased by 0.4 bar on the east Sahel thrust fault west of the Zemmouri rupture. Algiers suffered large damaging earthquakes in A.D. 1365 and 1716 and is today home to 3 million people. If these shocks occurred on the east Sahel fault and if it has a ~2 mm/yr tectonic loading rate, then enough loading has accumulated to produce a Mw = 6.6–6.9 shock today. Thus, these potentially lethal faults need better understanding of their slip rate and earthquake history.

Plasma Theory and Simulation

DTIC Science & Technology

1988-06-30

equation using finite difference methods. The distribution function is represented by a large number of particles. The particle’s velocities change as a...Small angle Coulomb collisions The FP equation for describing small angle Coulomb collisions can be solved numerically using finite difference techniques...A finite Fourrier transform (FT) is made in z, then we can solve for each k using the following finite difference scheme [5]: 2{r 1 +l1 2 (,,+ 1 - fj

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

Microscopic theory of the Coulomb based exchange coupling in magnetic tunnel junctions.

PubMed

Udalov, O G; Beloborodov, I S

2017-05-04

We study interlayer exchange coupling based on the many-body Coulomb interaction between conduction electrons in magnetic tunnel junction. This mechanism complements the known interaction between magnetic layers based on virtual electron hopping (or spin currents). We find that these two mechanisms have different behavior on system parameters. The Coulomb based coupling may exceed the hopping based exchange. We show that the Coulomb based exchange interaction, in contrast to the hopping based coupling, depends strongly on the dielectric constant of the insulating layer. The dependence of the interlayer exchange interaction on the dielectric properties of the insulating layer in magnetic tunnel junction is similar to magneto-electric effect where electric and magnetic degrees of freedom are coupled. We calculate the interlayer coupling as a function of temperature and electric field for magnetic tunnel junction with ferroelectric layer and show that the exchange interaction between magnetic leads has a sharp decrease in the vicinity of the ferroelectric phase transition and varies strongly with external electric field.

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

Lin, Ying -Hsuan; Shao, Shu -Heng; Wang, Yifan

We study up to 8-derivative terms in the Coulomb branch effective action of (1,1) little string theory, by collecting results of 4-gluon scattering amplitudes from both perturbative 6D super-Yang-Mills theory up to 4-loop order, and tree-level double scaled little string theory (DSLST). In previous work we have matched the 6-derivative term from the 6D gauge theory to DSLST, indicating that this term is protected on the entire Coulomb branch. The 8-derivative term, on the other hand, is unprotected. In this paper we compute the 8-derivative term by interpolating from the two limits, near the origin and near the infinity onmore » the Coulomb branch, numerically from SU(k) SYM and DSLST respectively, for k=2,3,4,5. We discuss the implication of this result on the UV completion of 6D SYM as well as the strong coupling completion of DSLST. As a result, we also comment on analogous interpolating functions in the Coulomb phase of circle-compactified (2,0) little string theory.« less

Electron Pair Repulsion Responsible for the Peculiar Edge Effects and Surface Chemistry of Black Phosphorus.

PubMed

Kong, Xiang-Peng; Shen, Xiaomei; Jang, Joonkyung; Gao, Xingfa

2018-03-01

The electronic and optical properties of black phosphorus (black-P) are significantly modulated by fabricating the edges of this two-dimensional material. Electron lone pairs (ELPs) are ubiquitous in black-P, but their role in creating the edge effects of black-P is poorly understood. Using first-principle calculations, we report ELPs of black-P experience severe Coulomb repulsion and play a central role in creating the edge effects of black-P. We discover the outermost P atoms of the zigzag edges of black-PQDs are free of the Coulomb repulsion, but the P atoms of the armchair edges do experience the Coulomb repulsion. The Coulomb repulsion serves as a new chemical driving force to make electron donor-acceptor bonds with chemical groups bearing vacant orbitals. Our results provide insights into the mechanism responsible for the peculiar edge effects of black-P and highlight the opportunity to use the ELPs of black-P for their damage-free surface functionalization.

Active earth pressure model tests versus finite element analysis

NASA Astrophysics Data System (ADS)

Pietrzak, Magdalena

2017-06-01

The purpose of the paper is to compare failure mechanisms observed in small scale model tests on granular sample in active state, and simulated by finite element method (FEM) using Plaxis 2D software. Small scale model tests were performed on rectangular granular sample retained by a rigid wall. Deformation of the sample resulted from simple wall translation in the direction `from the soil" (active earth pressure state. Simple Coulomb-Mohr model for soil can be helpful in interpreting experimental findings in case of granular materials. It was found that the general alignment of strain localization pattern (failure mechanism) may belong to macro scale features and be dominated by a test boundary conditions rather than the nature of the granular sample.

Thermal algebraic-decay charge liquid driven by competing short-range Coulomb repulsion

NASA Astrophysics Data System (ADS)

Kaneko, Ryui; Nonomura, Yoshihiko; Kohno, Masanori

2018-05-01

We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a Z6 anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.

Rayleigh approximation to ground state of the Bose and Coulomb glasses

PubMed Central

Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.

2015-01-01

Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties. PMID:25592417

Properties of Coulomb crystals: rigorous results.

PubMed

Cioslowski, Jerzy

2008-04-28

Rigorous equalities and bounds for several properties of Coulomb crystals are presented. The energy e(N) per particle pair is shown to be a nondecreasing function of the particle number N for all clusters described by double-power-law pairwise-additive potentials epsilon(r) that are unbound at both r-->0 and r-->infinity. A lower bound for the ratio of the mean reciprocal crystal radius and e(N) is derived. The leading term in the asymptotic expression for the shell capacity that appears in the recently introduced approximate model of Coulomb crystals is obtained, providing in turn explicit large-N asymptotics for e(N) and the mean crystal radius. In addition, properties of the harmonic vibrational spectra are investigated, producing an upper bound for the zero-point energy.

Energy transfer between two vacuum-gapped metal plates: Coulomb fluctuations and electron tunneling

NASA Astrophysics Data System (ADS)

Zhang, Zu-Quan; Lü, Jing-Tao; Wang, Jian-Sheng

2018-05-01

Recent experimental measurements for near-field radiative heat transfer between two bodies have been able to approach the gap distance within 2 nm , where the contributions of Coulomb fluctuation and electron tunneling are comparable. Using the nonequilibrium Green's function method in the G0W0 approximation, based on a tight-binding model, we obtain for the energy current a Caroli formula from the Meir-Wingreen formula in the local equilibrium approximation. Also, the Caroli formula is consistent with the evanescent part of the heat transfer from the theory of fluctuational electrodynamics. We go beyond the local equilibrium approximation to study the energy transfer in the crossover region from electron tunneling to Coulomb fluctuation based on a numerical calculation.

A test of the AdS/CFT duality on the Coulomb branch

NASA Astrophysics Data System (ADS)

Costa, M. S.

2000-06-01

We consider the /N=4 /SU(N) Super Yang Mills theory on the Coulomb branch with gauge symmetry broken to S(U(N1)×U(N2)). By integrating the W particles, the effective action near the IR SU(Ni) conformal fixed points is seen to be a deformation of the Super Yang Mills theory by a non-renormalized, irrelevant, dimension 8 operator. The correction to the two-point function of the dilaton field dual operator near the IR is related to a three-point function of chiral primary operators at the conformal fixed points and agrees with the classical gravity prediction, including the numerical factor.

Grid-free density functional calculations on periodic systems.

PubMed

Varga, Stefan

2007-09-21

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xalpha exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

Grid-free density functional calculations on periodic systems

NASA Astrophysics Data System (ADS)

Varga, Štefan

2007-09-01

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xα exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

The Effect of Hydrous Supercritical Carbon Dioxide on the Mohr Coulomb Failure Envelope in Boise Sandstone

NASA Astrophysics Data System (ADS)

Choens, R. C., II; Dewers, T. A.; Ilgen, A.; Espinoza, N.; Aman, M.

2016-12-01

Experimental rock deformation was used to quantify the relationship between supercritical carbon dioxide (scCO2), water vapor, and failure strength in an analog for Tertiary sandstone saline formation reservoirs. Storing large volumes of carbon dioxide in depleted petroleum reservoirs and deep saline aquifers over geologic time is an important tool in mitigating effects of climate change. Carbon dioxide is injected as a supercritical phase, where it forms a buoyant plume. At brine-plume interfaces, scCO2 dissolves over time into the brine, lowering pH and perturbing the local chemical environment. Previous work has shown that the resulting geochemical changes at mineral-fluid interfaces can alter rock mechanical properties, generally causing a decrease in strength. Additionally, water from the native brine can dissolve into the scCO2 plume where it is present as humidity. This study investigates the effect of hydrous scCO2 and CO2-saturated brine on shear failure of Boise sandstone. Samples are held in a hydrostatic pressure vessel at 2250 PSI confining pressure (PC) and 70 C, and scCO2 at specific humidity is circulated through the core for 24 hours at 2000 PSI and 70 C. Experiments are conducted at relative humidity levels of 0, 14, 28, 42, 56, 70, 84, 98, and 100% relative humidity. After the scCO2 core flood is finished, triaxial compression experiments are conducted on the samples at room temperature and an axial strain rate of 10-5 sec-1. Experiments are conducted at 500, 1000, and 1500 PSI PC. The results demonstrate that water present as humidity in scCO2 can reduce failure strength and lower slopes of the Mohr-Coulomb failure envelope. These effects increase with increasing humidity, as dry scCO2 does not affect rock strength, and may be influenced by capillary condensation of water films from humid scCO2. The reductions in failure strength seen in this study could be important in predicting reservoir response to injection, reservoir caprock integrity, and borehole stability of injection wells. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94AL85000. SAND2016-7552A

Non-extensive entropy and properties of polaron in RbCl delta quantum dot under an applied electric field and Coulombic impurity

NASA Astrophysics Data System (ADS)

Tiotsop, M.; Fotue, A. J.; Fotsin, H. B.; Fai, L. C.

2017-08-01

Bound polaron in RbCl delta quantum dot under electric field and Coulombic impurity were considered. The ground and first excited state energy were derived by employing Pekar variational and unitary transformation methods. Applying Fermi golden rule, the expression of temperature and polaron lifetime were derived. The decoherence was studied trough the Tsallis entropy. Results shows that decreasing (or increasing) the lifetime increases (or decreases) the temperature and delta parameter (electric field strength and hydrogenic impurity). This suggests that to accelerate quantum transition in nanostructure, temperature and delta have to be enhanced. The improvement of electric field and coulomb parameter, increases the lifetime of the delta quantum dot qubit. Energy spectrum of polaron increases with increase in temperature, electric field strength, Coulomb parameter, delta parameter, and polaronic radius. The control of the delta quantum dot energies can be done via the electric field, coulomb impurity, and delta parameter. Results also show that the non-extensive entropy is an oscillatory function of time. With the enhancement of delta parameter, non-extensive parameter, Coulombic parameter, and electric field strength, the entropy has a sinusoidal increase behavior with time. With the study of decoherence through the Tsallis entropy, it may be advised that to have a quantum system with efficient transmission of information, the non-extensive and delta parameters need to be significant. The study of the probability density showed an increase from the boundary to the center of the dot where it has its maximum value and oscillates with period T0 = ℏ / ΔE with the tunneling of the delta parameter, electric field strength, and Coulombic parameter. The results may be very helpful in the transmission of information in nanostructures and control of decoherence

Donaldson-Witten theory and indefinite theta functions

NASA Astrophysics Data System (ADS)

Korpas, Georgios; Manschot, Jan

2017-11-01

We consider partition functions with insertions of surface operators of topologically twisted N=2 , SU(2) supersymmetric Yang-Mills theory, or Donaldson-Witten theory for short, on a four-manifold. If the metric of the compact four-manifold has positive scalar curvature, Moore and Witten have shown that the partition function is completely determined by the integral over the Coulomb branch parameter a, while more generally the Coulomb branch integral captures the wall-crossing behavior of both Donaldson polynomials and Seiberg-Witten invariants. We show that after addition of a \\overlineQ -exact surface operator to the Moore-Witten integrand, the integrand can be written as a total derivative to the anti-holomorphic coordinate ā using Zwegers' indefinite theta functions. In this way, we reproduce Göttsche's expressions for Donaldson invariants of rational surfaces in terms of indefinite theta functions for any choice of metric.

Quantum mechanics on phase space: The hydrogen atom and its Wigner functions

NASA Astrophysics Data System (ADS)

Campos, P.; Martins, M. G. R.; Fernandes, M. C. B.; Vianna, J. D. M.

2018-03-01

Symplectic quantum mechanics (SQM) considers a non-commutative algebra of functions on a phase space Γ and an associated Hilbert space HΓ, to construct a unitary representation for the Galilei group. From this unitary representation the Schrödinger equation is rewritten in phase space variables and the Wigner function can be derived without the use of the Liouville-von Neumann equation. In this article the Coulomb potential in three dimensions (3D) is resolved completely by using the phase space Schrödinger equation. The Kustaanheimo-Stiefel(KS) transformation is applied and the Coulomb and harmonic oscillator potentials are connected. In this context we determine the energy levels, the amplitude of probability in phase space and correspondent Wigner quasi-distribution functions of the 3D-hydrogen atom described by Schrödinger equation in phase space.

A concise introduction to Colombeau generalized functions and their applications in classical electrodynamics

NASA Astrophysics Data System (ADS)

Gsponer, Andre

2009-01-01

The objective of this introduction to Colombeau algebras of generalized functions (in which distributions can be freely multiplied) is to explain in elementary terms the essential concepts necessary for their application to basic nonlinear problems in classical physics. Examples are given in hydrodynamics and electrodynamics. The problem of the self-energy of a point electric charge is worked out in detail: the Coulomb potential and field are defined as Colombeau generalized functions, and integrals of nonlinear expressions corresponding to products of distributions (such as the square of the Coulomb field and the square of the delta function) are calculated. Finally, the methods introduced in Gsponer (2007 Eur. J. Phys. 28 267, 2007 Eur. J. Phys. 28 1021 and 2007 Eur. J. Phys. 28 1241), to deal with point-like singularities in classical electrodynamics are confirmed.

Interplay between short-range correlated disorder and Coulomb interaction in nodal-line semimetals

NASA Astrophysics Data System (ADS)

Wang, Yuxuan; Nandkishore, Rahul M.

2017-09-01

In nodal-line semimetals, Coulomb interactions and short-range correlated disorder are both marginal perturbations to the clean noninteracting Hamiltonian. We analyze their interplay using a weak-coupling renormalization group approach. In the clean case, the Coulomb interaction has been found to be marginally irrelevant, leading to Fermi liquid behavior. We extend the analysis to incorporate the effects of disorder. The nodal line structure gives rise to kinematical constraints similar to that for a two-dimensional Fermi surface, which plays a crucial role in the one-loop renormalization of the disorder couplings. For a twofold degenerate nodal loop (Weyl loop), we show that disorder flows to strong coupling along a unique fixed trajectory in the space of symmetry inequivalent disorder couplings. Along this fixed trajectory, all symmetry inequivalent disorder strengths become equal. For a fourfold degenerate nodal loop (Dirac loop), disorder also flows to strong coupling, however, the strengths of symmetry inequivalent disorder couplings remain different. We show that feedback from disorder reverses the sign of the beta function for the Coulomb interaction, causing the Coulomb interaction to flow to strong coupling as well. However, the Coulomb interaction flows to strong coupling asymptotically more slowly than disorder. Extrapolating our results to strong coupling, we conjecture that at low energies nodal line semimetals should be described by a noninteracting nonlinear sigma model. We discuss the relation of our results with possible many-body localization at zero temperatures in such materials.

Limit analysis and homogenization of porous materials with Mohr-Coulomb matrix. Part I: Theoretical formulation

NASA Astrophysics Data System (ADS)

Anoukou, K.; Pastor, F.; Dufrenoy, P.; Kondo, D.

2016-06-01

The present two-part study aims at investigating the specific effects of Mohr-Coulomb matrix on the strength of ductile porous materials by using a kinematic limit analysis approach. While in the Part II, static and kinematic bounds are numerically derived and used for validation purpose, the present Part I focuses on the theoretical formulation of a macroscopic strength criterion for porous Mohr-Coulomb materials. To this end, we consider a hollow sphere model with a rigid perfectly plastic Mohr-Coulomb matrix, subjected to axisymmetric uniform strain rate boundary conditions. Taking advantage of an appropriate family of three-parameter trial velocity fields accounting for the specific plastic deformation mechanisms of the Mohr-Coulomb matrix, we then provide a solution of the constrained minimization problem required for the determination of the macroscopic dissipation function. The macroscopic strength criterion is then obtained by means of the Lagrangian method combined with Karush-Kuhn-Tucker conditions. After a careful analysis and discussion of the plastic admissibility condition associated to the Mohr-Coulomb criterion, the above procedure leads to a parametric closed-form expression of the macroscopic strength criterion. The latter explicitly shows a dependence on the three stress invariants. In the special case of a friction angle equal to zero, the established criterion reduced to recently available results for porous Tresca materials. Finally, both effects of matrix friction angle and porosity are briefly illustrated and, for completeness, the macroscopic plastic flow rule and the voids evolution law are fully furnished.

Controls on Earthquake Rupture and Triggering Mechanisms in Subduction Zones

DTIC Science & Technology

2010-06-01

weaken the fault [Wibber- ley and Shimamoto, 2005]. Song and Simons [2003] infer that strongly negative TPGA values correlate with increases in the...and Y. Hu (2006), Accretionary prisms in subduction earthquake cycles: The theory of dynamic Coulomb wedge, J. Geophys. Res., 111, B06410, doi:10.1029...modified Coulomb stress function, γ is a state variable, and A is a fault constitutive parameter. We assume that the normal stress σ remains constant, and

Coulomb stress transfer and accumulation on the Sagaing Fault, Myanmar, over the past 110 years and its implications for seismic hazard

NASA Astrophysics Data System (ADS)

Xiong, X.; Shan, B.; Zhou, Y. M.; Wei, S. J.; Li, Y. D.; Wang, R. J.; Zheng, Y.

2017-05-01

Myanmar is drawing rapidly increasing attention from the world for its seismic hazard. The Sagaing Fault (SF), an active right-lateral strike-slip fault passing through Myanmar, has been being the source of serious seismic damage of the country. Thus, awareness of seismic hazard assessment of this region is of pivotal significance by taking into account the interaction and migration of earthquakes with respect to time and space. We investigated a seismic series comprising10 earthquakes with M > 6.5 that occurred along the SF since 1906. The Coulomb failure stress modeling exhibits significant interactions among the earthquakes. After the 1906 earthquake, eight out of nine earthquakes occurred in the positively stress-enhanced zone of the preceding earthquakes, verifying that the hypothesis of earthquake triggering is applicable on the SF. Moreover, we identified three visible positively stressed earthquake gaps on the central and southern SF, on which seismic hazard is increased.

Gauge symmetry, chirality and parity effects in four-particle systems: Coulomb's law as a universal function for diatomic molecules.

PubMed

Van Hooydonk, G

2000-11-01

Following recent work in search for a universal function (Van Hooydonk, Eur. J. Inorg. Chem., (1999), 1617), we test four symmetric +/- a(n)Rn potentials for reproducing molecular potential energy curves (PECs). Classical gauge symmetry for 1/R-potentials results in generic left right asymmetric PECs. A pair of symmetric perturbed Coulomb potentials is quantitatively in accordance with observed PECs. For a bond, a four-particle system, charge inversion (a parity effect, atom chirality) is the key to explain this shape generically. A parity adapted Hamiltonian reduces from ten to two terms and to a soluble Bohr-like formula, a Kratzer (1 - Re/R)2 potential. The result is similar to the combined action of spin and wave function symmetry upon the Hamiltonian in Heitler-London theory. Analytical perturbed Coulomb functions varying with (1 - Re/R) scale attractive and repulsive branches of PECs for 13 bonds H2, HF, LiH, KH, AuH, Li2, LiF, KLi, NaCs, Rb2, RbCs, Cs2 and I2 in a single straight line. The 400 turning points for 13 bonds are reproduced with a deviation of 0.007 A at both branches. For 230 points at the repulsive side, the deviation is 0.003 A. The perturbed electrostatic Coulomb law is a universal molecular function. Ab initio zero molecular parameter functions give PECs of acceptable quality, just using atomic ionisation energies. The function can be used as a model potential for inverting levels and gives a first principle's comparison of short- and long-range interactions, important for the study of cold atoms. Wave-packet dynamics, femto-chemistry applied to the crossing of covalent and ionic curves, can provide evidence for this theory. We anticipate this scale/shape invariant scheme applies to smaller scales in nuclear and high-energy particle physics. For larger gravitational scales (Newton 1/R potentials), problems with super-unification are discussed. Reactions between hydrogen and antihydrogen, feasible in the near future, will probably produce normal H2.

Investigation of Possible Wellbore Cement Failures During Hydraulic Fracturing Operations

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

Kim, Jihoon; Moridis, George

2014-11-01

We model and assess the possibility of shear failure, using the Mohr-Coulomb model ? along the vertical well by employing a rigorous coupled flow-geomechanic analysis. To this end, we vary the values of cohesion between the well casing and the surrounding cement to representing different quality levels of the cementing operation (low cohesion corresponds to low-quality cement and/or incomplete cementing). The simulation results show that there is very little fracturing when the cement is of high quality.. Conversely, incomplete cementing and/or weak cement can causes significant shear failure and the evolution of long fractures/cracks along the vertical well. Specifically, lowmore » cohesion between the well and cemented areas can cause significant shear failure along the well, but the same cohesion as the cemented zone does not cause shear failure. When the hydraulic fracturing pressure is high, low cohesion of the cement can causes fast propagation of shear failure and of the resulting fracture/crack, but a high-quality cement with no weak zones exhibits limited shear failure that is concentrated near the bottom of the vertical part of the well. Thus, high-quality cement and complete cementing along the vertical well appears to be the strongest protection against shear failure of the wellbore cement and, consequently, against contamination hazards to drinking water aquifers during hydraulic fracturing operations.« less

Rayleigh approximation to ground state of the Bose and Coulomb glasses

DOE PAGES

Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; ...

2015-01-16

Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Ourmore » findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.« less

Effect of compound nuclear reaction mechanism in 12C(6Li,d) reaction at sub-Coulomb energy

NASA Astrophysics Data System (ADS)

Mondal, Ashok; Adhikari, S.; Basu, C.

2017-09-01

The angular distribution of the 12C(6Li,d) reaction populating the 6.92 and 7.12 MeV states of 16O at sub-Coulomb energy (Ecm=3 MeV) are analysed in the framework of the Distorted Wave Born Approximation (DWBA). Recent results on excitation function measurements and backward angle angular distributions derive ANC for both the states on the basis of an alpha transfer mechanism. In the present work, we show that considering both forward and backward angle data in the analysis, the 7.12 MeV state at sub-Coulomb energy is populated from Compound nuclear process rather than transfer process. The 6.92 MeV state is however produced from direct reaction mechanism.

Coulomb dissociation of {sup 19}C

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

Nakamura, T.; Fukuda, N.; Iwasaki, H.

1998-12-21

We present the results on the Coulomb dissociation of the neutron-halo-nucleus candidate {sup 19}C, which was studied by a kinematically complete measurement of the breakup of {sup 19}C on a Pb target into {sup 18}C and neutron at 67{center_dot}AMeV. A large E1 strength has been observed at the low excitation energy of around 1 MeV to follow the distribution characteristic of the direct Coulomb breakup for the 2s{sub 1/2}-dominant configuration of {sup 19}C halo wave function. The angular distribution of {sup 18}C+n center of mass system has led to the indirect determination of {sup 19}C one-neutron separation energy, with whichmore » the excitation energy spectrum is well reproduced.« less

Carbon Disulfide Cosolvent Electrolytes for High-Performance Lithium Sulfur Batteries.

PubMed

Gu, Sui; Wen, Zhaoyin; Qian, Rong; Jin, Jun; Wang, Qingsong; Wu, Meifen; Zhuo, Shangjun

2016-12-21

Development of lithium sulfur (Li-S) batteries with high Coulombic efficiency and long cycle stability remains challenging due to the dissolution and shuttle of polysulfides in electrolyte. Here, a novel additive, carbon disulfide (CS 2 ), to the organic electrolyte is reported to improve the cycling performance of Li-S batteries. The cells with the CS 2 -additive electrolyte exhibit high Coulombic efficiency and long cycle stability, showing average Coulombic efficiency >99% and a capacity retention of 88% over the entire 300 cycles. The function of the CS 2 additive is 2-fold: (1) it inhibits the migration of long-chain polysulfides to the anode by forming complexes with polysulfides and (2) it passivates electrode surfaces by inducing the protective coatings on both the anode and the cathode.

Failure in lithium-ion batteries under transverse indentation loading

NASA Astrophysics Data System (ADS)

Chung, Seung Hyun; Tancogne-Dejean, Thomas; Zhu, Juner; Luo, Hailing; Wierzbicki, Tomasz

2018-06-01

Deformation and failure of constrained cells and modules in the battery pack under transverse loading is one of the most common conditions in batteries subjected to mechanical impacts. A combined experimental, numerical and analytical approach was undertaken to reveal the underlying mechanism and develop a new cell failure model. When large format pouch cells were subjected to local indentation all the way to failure, the post-mortem examination of the failure zones beneath the punches indicates a consistent slant fracture surface angle to the battery plane. This type of behavior can be described by the critical fracture plane theory in which fracture is caused by the shear stress modified by the normal stress. The Mohr-Coulomb fracture criterion is then postulated and it is shown how the two material constants can be determined from just one indentation test. The orientation of the fracture plane is invariant with respect to the type of loading and can be considered as a property of the cell stack. In addition, closed-form solutions are derived for the load-displacement relation for both plane-strain and axisymmetric cases. The results are in good agreement with the numerical simulation of the homogenized model and experimentally measured responses.

Stress Interactions Between the 1976 Magnitude 7.8 Tangshan Earthquake and Adjacent Fault Systems in Northern China

NASA Astrophysics Data System (ADS)

Zhang, Z.; Lin, J.; Chen, Y. J.

2004-12-01

The 28 July 1976 ML = 7.8 Tangshan earthquake struck a highly populated metropolitan center in northern China and was one of the most devastating earthquakes in modern history. Its occurrence has significantly changed the Coulomb stresses on a complex network of strike-slip, normal, and thrust faults in the region, potentially heightened the odds of future earthquakes on some of these fault segments. We have conducted a detailed analysis of the 3D stress effects of the Tangshan earthquake on its neighboring faults, the relationship between stress transfer and aftershock locations, and the implications for future seismic hazard in the region. Available seismic and geodetic data, although limited, indicate that the Tangshan main shock sequence is composed of complex rupture on 2-3 fault segments. The dominant rupture mode is right-lateral strike-slip on two adjoining sub-segments that strike N5¡aE and N35¡aE, respectively. We calculated that the Tangshan main shock sequence has increased the Coulomb failure stress by more than 1 bar in the vicinity of the Lunanxian district to the east, where the largest aftershock (ML = 7.1) occurred 15 hours after the Tangshan main event. The second largest aftershock (ML = 6.8) occurred on the Ninghe fault to the southwest of the main rupture, in a transitional region between the calculated Coulomb stress increase and decrease. The majority of the ML > 5.0 aftershocks also occurred in areas of calculated Coulomb stress increase. Our analyses further indicate that the Coulomb stress on portions of other fault segments, including the Leting and Lulong fault to the east and Yejito fault to the north, may also have been increased. Thus it is critical to obtain estimates of earthquake repeat times on these and other tectonic faults and to acquire continuous GPS and space geodetic measurements. Investigation of stress interaction and earthquake triggering in northern China is not only highly societal relevant but also important for advancing our understanding of the fundamental characteristics of earthquakes in regions of diffuse continental deformation.

On the lattice dynamics of metallic hydrogen and other Coulomb systems

NASA Technical Reports Server (NTRS)

Beck, H.; Straus, D.

1975-01-01

Numerical results for the phonon spectra of metallic hydrogen and other Coulomb systems in cubic lattices are presented. In second order in the electron-ion interaction, the behavior of the dielectric function of the interacting electron gas for arguments around the seond Fermi harmonic leads to drastic Kohn anomalies and even to imaginary phonon frequencies. Third-order band-structure corrections are also calculated. Properties of self-consistent phonons and the validity of the adiabatic approximation are discussed.

Wigner time-delay distribution in chaotic cavities and freezing transition.

PubMed

Texier, Christophe; Majumdar, Satya N

2013-06-21

Using the joint distribution for proper time delays of a chaotic cavity derived by Brouwer, Frahm, and Beenakker [Phys. Rev. Lett. 78, 4737 (1997)], we obtain, in the limit of the large number of channels N, the large deviation function for the distribution of the Wigner time delay (the sum of proper times) by a Coulomb gas method. We show that the existence of a power law tail originates from narrow resonance contributions, related to a (second order) freezing transition in the Coulomb gas.

Precision measurement of longitudinal and transverse response functions of quasi-elastic electron scattering in the momentum transfer range 0.55GeV/c lte math| lte 0.9GeV/c

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

Huan Yao, Jefferson Lab Hall A Collaboration, E05-110 Collaboration

2012-04-01

In order to test the Coulomb sum rule in nuclei, a precision measurement of inclusive electron scattering cross sections in the quasi-elastic region was performed at Jefferson Lab. Incident electrons of energies ranging from 0.4 GeV/c to 4 GeV/c scattered off {sup 4}He, {sup 12}C, {sup 56}Fe and {sup 208}Pb nuclei at four scattering angles (15deg., 60deg., 90deg., 120deg.) and scattered energies ranging from 0.1 GeV/c to 4 GeV/c. The Rosenbluth method with proper Coulomb corrections is used to extract the transverse and longitudinal response functions at three-momentum transfers 0.55 GeV/c {le} |q{yields}| {le} 1.0 GeV/c. The Coulomb Sum ismore » determined in the same |q{yields}| range as mentioned above and will be compared to predictions. Analysis progress and preliminary results will be presented.« less

Influence of pressure and volume on superconductivity in Mg1-xAlxB2 and Mg(B1-yCy)2

NASA Astrophysics Data System (ADS)

Sharma, Roopam; Singh, Namita; Khenata, R.; Varshney, Dinesh

2018-05-01

A quantitative analysis of observed parameters is studied that influences superconducting state in Al (C) doped MgB2. The three square well model with three interactions namely, the Coulomb the electron-phonon and the electron- charge fluctuations is based on indirect-exchange Cooper pairing of electrons (quasiparticles) via adhoc attractive charge fluctuations apart from phonons. The relevant energy gap expressions are solved. The indirect-exchange formalism provides a unique set of electronic parameters [electron-phonon (λσσph), electron-charge fluctuations (λσσpl), electron-electron (μσσ) and Coulomb screening parameter (μσσ*)] which, in particular, reproduce the dependence of Tc on Al (C) doping concentration and pressure P. Also, the variation in slope dTc/dP with increased Al (C) substitution (0 ≤ x ≤ 0.5)(0 ≤ y ≤ 0.125) is studied. Moreover, variation of dlnTc/dV Å-3 as a function of electron-phonon coupling strength and as a function of Coulomb screening parameter is studied.

Exact Extremal Statistics in the Classical 1D Coulomb Gas

NASA Astrophysics Data System (ADS)

Dhar, Abhishek; Kundu, Anupam; Majumdar, Satya N.; Sabhapandit, Sanjib; Schehr, Grégory

2017-08-01

We consider a one-dimensional classical Coulomb gas of N -like charges in a harmonic potential—also known as the one-dimensional one-component plasma. We compute, analytically, the probability distribution of the position xmax of the rightmost charge in the limit of large N . We show that the typical fluctuations of xmax around its mean are described by a nontrivial scaling function, with asymmetric tails. This distribution is different from the Tracy-Widom distribution of xmax for Dyson's log gas. We also compute the large deviation functions of xmax explicitly and show that the system exhibits a third-order phase transition, as in the log gas. Our theoretical predictions are verified numerically.

Puncture mechanics of soft elastomeric membrane with large deformation by rigid cylindrical indenter

NASA Astrophysics Data System (ADS)

Liu, Junjie; Chen, Zhe; Liang, Xueya; Huang, Xiaoqiang; Mao, Guoyong; Hong, Wei; Yu, Honghui; Qu, Shaoxing

2018-03-01

Soft elastomeric membrane structures are widely used and commonly found in engineering and biological applications. Puncture is one of the primary failure modes of soft elastomeric membrane at large deformation when indented by rigid objects. In order to investigate the puncture failure mechanism of soft elastomeric membrane with large deformation, we study the deformation and puncture failure of silicone rubber membrane that results from the continuous axisymmetric indentation by cylindrical steel indenters experimentally and analytically. In the experiment, effects of indenter size and the friction between the indenter and the membrane on the deformation and puncture failure of the membrane are investigated. In the analytical study, a model within the framework of nonlinear field theory is developed to describe the large local deformation around the punctured area, as well as to predict the puncture failure of the membrane. The deformed membrane is divided into three parts and the friction contact between the membrane and indenter is modeled by Coulomb friction law. The first invariant of the right Cauchy-Green deformation tensor I1 is adopted to predict the puncture failure of the membrane. The experimental and analytical results agree well. This work provides a guideline in designing reliable soft devices featured with membrane structures, which are present in a wide variety of applications.

Stress triggering of the 1994 M = 6.7 Northridge, California, Earthquake by its predecessors

USGS Publications Warehouse

Stein, R.S.; King, G.C.P.; Lin, J.

1994-01-01

A model of stress transfer implies that earthquakes in 1933 and 1952 increased the Coulomb stress toward failure at the site of the 1971 San Fernando earthquake. The 1971 earthquake in turn raised stress and produced aftershocks at the site of the 1987 Whittier Narrows and 1994 Northridge ruptures. The Northridge main shock raised stress in areas where its aftershocks and surface faulting occurred. Together, the earthquakes with moment magnitude M ??? 6 near Los Angeles since 1933 have stressed parts of the Oak Ridge, Sierra Madre, Santa Monica Mountains, Elysian Park, and Newport-Inglewood faults by more than 1 bar. Although too small to cause earthquakes, these stress changes can trigger events if the crust is already near failure or advance future earthquake occurrence if it is not.

Novel Quantum Criticality in Two Dimensional Topological Phase transitions

PubMed Central

Cho, Gil Young; Moon, Eun-Gook

2016-01-01

Topological quantum phase transitions intrinsically intertwine self-similarity and topology of many-electron wave-functions, and divining them is one of the most significant ways to advance understanding in condensed matter physics. Our focus is to investigate an unconventional class of the transitions between insulators and Dirac semimetals whose description is beyond conventional pseudo relativistic Dirac Hamiltonian. At the transition without the long-range Coulomb interaction, the electronic energy dispersion along one direction behaves like a relativistic particle, linear in momentum, but along the other direction it behaves like a non-relativistic particle, quadratic in momentum. Various physical systems ranging from TiO2-VO2 heterostructure to organic material α-(BEDT-TTF)2I3 under pressure have been proposed to have such anisotropic dispersion relation. Here, we discover a novel quantum criticality at the phase transition by incorporating the long range Coulomb interaction. Unique interplay between the Coulomb interaction and electronic critical modes enforces not only the anisotropic renormalization of the Coulomb interaction but also marginally modified electronic excitation. In connection with experiments, we investigate several striking effects in physical observables of our novel criticality. PMID:26791803

Auxiliary basis expansions for large-scale electronic structure calculations.

PubMed

Jung, Yousung; Sodt, Alex; Gill, Peter M W; Head-Gordon, Martin

2005-05-10

One way to reduce the computational cost of electronic structure calculations is to use auxiliary basis expansions to approximate four-center integrals in terms of two- and three-center integrals, usually by using the variationally optimum Coulomb metric to determine the expansion coefficients. However, the long-range decay behavior of the auxiliary basis expansion coefficients has not been characterized. We find that this decay can be surprisingly slow. Numerical experiments on linear alkanes and a toy model both show that the decay can be as slow as 1/r in the distance between the auxiliary function and the fitted charge distribution. The Coulomb metric fitting equations also involve divergent matrix elements for extended systems treated with periodic boundary conditions. An attenuated Coulomb metric that is short-range can eliminate these oddities without substantially degrading calculated relative energies. The sparsity of the fit coefficients is assessed on simple hydrocarbon molecules and shows quite early onset of linear growth in the number of significant coefficients with system size using the attenuated Coulomb metric. Hence it is possible to design linear scaling auxiliary basis methods without additional approximations to treat large systems.

The accuracy of the Gaussian-and-finite-element-Coulomb (GFC) method for the calculation of Coulomb integrals.

PubMed

Przybytek, Michal; Helgaker, Trygve

2013-08-07

We analyze the accuracy of the Coulomb energy calculated using the Gaussian-and-finite-element-Coulomb (GFC) method. In this approach, the electrostatic potential associated with the molecular electronic density is obtained by solving the Poisson equation and then used to calculate matrix elements of the Coulomb operator. The molecular electrostatic potential is expanded in a mixed Gaussian-finite-element (GF) basis set consisting of Gaussian functions of s symmetry centered on the nuclei (with exponents obtained from a full optimization of the atomic potentials generated by the atomic densities from symmetry-averaged restricted open-shell Hartree-Fock theory) and shape functions defined on uniform finite elements. The quality of the GF basis is controlled by means of a small set of parameters; for a given width of the finite elements d, the highest accuracy is achieved at smallest computational cost when tricubic (n = 3) elements are used in combination with two (γ(H) = 2) and eight (γ(1st) = 8) Gaussians on hydrogen and first-row atoms, respectively, with exponents greater than a given threshold (αmin (G)=0.5). The error in the calculated Coulomb energy divided by the number of atoms in the system depends on the system type but is independent of the system size or the orbital basis set, vanishing approximately like d(4) with decreasing d. If the boundary conditions for the Poisson equation are calculated in an approximate way, the GFC method may lose its variational character when the finite elements are too small; with larger elements, it is less sensitive to inaccuracies in the boundary values. As it is possible to obtain accurate boundary conditions in linear time, the overall scaling of the GFC method for large systems is governed by another computational step-namely, the generation of the three-center overlap integrals with three Gaussian orbitals. The most unfavorable (nearly quadratic) scaling is observed for compact, truly three-dimensional systems; however, this scaling can be reduced to linear by introducing more effective techniques for recognizing significant three-center overlap distributions.

The exponential rise of induced seismicity with increasing stress levels in the Groningen gas field and its implications for controlling seismic risk

NASA Astrophysics Data System (ADS)

Bourne, S. J.; Oates, S. J.; van Elk, J.

2018-06-01

Induced seismicity typically arises from the progressive activation of recently inactive geological faults by anthropogenic activity. Faults are mechanically and geometrically heterogeneous, so their extremes of stress and strength govern the initial evolution of induced seismicity. We derive a statistical model of Coulomb stress failures and associated aftershocks within the tail of the distribution of fault stress and strength variations to show initial induced seismicity rates will increase as an exponential function of induced stress. Our model provides operational forecasts consistent with the observed space-time-magnitude distribution of earthquakes induced by gas production from the Groningen field in the Netherlands. These probabilistic forecasts also match the observed changes in seismicity following a significant and sustained decrease in gas production rates designed to reduce seismic hazard and risk. This forecast capability allows reliable assessment of alternative control options to better inform future induced seismic risk management decisions.

Tidal triggering of earthquakes in the Ning'er area of Yunnan Province, China

NASA Astrophysics Data System (ADS)

Xie, Chaodi; Lei, Xinglin; Zhao, Xiaoyan; Ma, Qingbo; Yang, Simeng; Wang, Yingnan

2017-05-01

To investigate the potential effect of tidal modulation on the seismicity in the Ning'er area, a seismically and geothermally active zone in Yunnan Province, China, we studied the correlation between Earth tides and the occurrence of M ≥ 6.0 earthquakes dating back to 1970, as well as their aftershock sequences, using theoretically calculated tidal stresses and a statistical test. The results show a significant correlation between Earth tides and the occurrence of earthquakes. Six of seven main events occurred when the Earth tide increased the Coulomb failure stress on the source fault. Four main events occurred in a narrow range of phase angle corresponding to the maximum loading rate of tidal stress. Furthermore, the histories of the aftershock sequence as a function of the tidal phases demonstrate clear tidal modulation with a high significance. Thus, we conclude that Earth tides have a clear role in triggering (or modulating) the rupture of the fault systems in the Ning'er area.

Information on stress conditions in the oceanic crust from oval fractures in a deep borehole

USGS Publications Warehouse

Morin, R.H.

1990-01-01

Oval images etched into the wall of a deep borehole were detected in DSDP Hole 504B, eastern equatorial Pacific Ocean, from analysis of an acoustic televiewer log. A systematic inspection of these ovals has identified intriguing consistencies in appearance that cannot be explained satisfactorily by a random, coincidental distribution of pillow lavas. As an alternative hypothesis, Mohr-Coulomb failure criterion is used to account for the generation and orientation of similarly curved, stress-induced fractures. Consequently, these oval features can be interpreted as fractures and related directly to stress conditions in the oceanic crust at this site. The azimuth of the oval center corresponds to the orientation of maximum horizontal principal stress (SH), and the oval width, which spans approximately 180?? of the borehole, is aligned with the azimuth of minimum horizontal principal stress (Sh). The oval height is controlled by the fracture angle and thus is a function of the coefficient of internal friction of the rock. -from Author

Effect of long-range repulsive Coulomb interactions on packing structure of adhesive particles.

PubMed

Chen, Sheng; Li, Shuiqing; Liu, Wenwei; Makse, Hernán A

2016-02-14

The packing of charged micron-sized particles is investigated using discrete element simulations based on adhesive contact dynamic model. The formation process and the final obtained structures of ballistic packings are studied to show the effect of interparticle Coulomb force. It is found that increasing the charge on particles causes a remarkable decrease of the packing volume fraction ϕ and the average coordination number 〈Z〉, indicating a looser and chainlike structure. Force-scaling analysis shows that the long-range Coulomb interaction changes packing structures through its influence on particle inertia before they are bonded into the force networks. Once contact networks are formed, the expansion effect caused by repulsive Coulomb forces are dominated by short-range adhesion. Based on abundant results from simulations, a dimensionless adhesion parameter Ad*, which combines the effects of the particle inertia, the short-range adhesion and the long-range Coulomb interaction, is proposed and successfully scales the packing results for micron-sized particles within the latest derived adhesive loose packing (ALP) regime. The structural properties of our packings follow well the recent theoretical prediction which is described by an ensemble approach based on a coarse-grained volume function, indicating some kind of universality in the low packing density regime of the phase diagram regardless of adhesion or particle charge. Based on the comprehensive consideration of the complicated inter-particle interactions, our findings provide insight into the roles of short-range adhesion and repulsive Coulomb force during packing formation and should be useful for further design of packings.

Two dimensional fall of granular columns controlled by slow horizontal withdrawal of a retaining wall

NASA Astrophysics Data System (ADS)

Mériaux, Catherine

2006-09-01

This paper describes a series of experiments designed to investigate the fall of granular columns in a quasi-static regime. Columns made of alternatively green and red sand layers were initially laid out in a box and then released when a retaining wall was set in slow motion with constant speed. The dependence of the dynamics of the fall on the initial aspect ratio of the columns, the velocity of the wall, and the material properties was investigated within the quasi-static regime. A change in the behavior of the columns was identified to be a function of the aspect ratio (height/length) of the initial sand column. Columns of high aspect ratio first subsided before sliding along failure planes, while columns of small aspect ratio were only observed to slide along failure planes. The transition between these two characteristic falls occurred regardless of the material and the velocity of the wall in the context of the quasi-static regime. When the final height and length of the piles were analyzed, we found power-law relations of the ratio of initial to final height and final run-out to initial length with the aspect ratio of the column. The dissipation of energy is also shown to increase with the run-out length of the pile until it reaches a plateau. Finally, we find that the structure of the slip planes that develop in our experiments are not well described by the failure of Coulomb's wedges for twin retaining rough walls.

Theory of domain patterns in systems with long-range interactions of Coulomb type.

PubMed

Muratov, C B

2002-12-01

We develop a theory of the domain patterns in systems with competing short-range attractive interactions and long-range repulsive Coulomb interactions. We take an energetic approach, in which patterns are considered as critical points of a mean-field free energy functional. Close to the microphase separation transition, this functional takes on a universal form, allowing us to treat a number of diverse physical situations within a unified framework. We use asymptotic analysis to study domain patterns with sharp interfaces. We derive an interfacial representation of the pattern's free energy which remains valid in the fluctuating system, with a suitable renormalization of the Coulomb interaction's coupling constant. We also derive integro-differential equations describing stationary domain patterns of arbitrary shapes and their thermodynamic stability, coming from the first and second variations of the interfacial free energy. We show that the length scale of a stable domain pattern must obey a certain scaling law with the strength of the Coulomb interaction. We analyzed the existence and stability of localized (spots, stripes, annuli) and periodic (lamellar, hexagonal) patterns in two dimensions. We show that these patterns are metastable in certain ranges of the parameters and that they can undergo morphological instabilities leading to the formation of more complex patterns. We discuss nucleation of the domain patterns by thermal fluctuations and pattern formation scenarios for various thermal quenches. We argue that self-induced disorder is an intrinsic property of the domain patterns in the systems under consideration.

Anderson localization and ''universal'' degradation of T/sub c/ in high-temperature superconductors

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

Leavens, C.R.

Anderson, Muttalib, and Ramakrishnan (AMR) showed that strong disorder leads to a frequency (..omega..) dependent increase of the Coulomb repulsion in a three-dimensional superconductor. Their one-free-parameter theory agrees nicely with the experimentally observed decrease in T/sub c/ but only for a fitted critical resistivity (rho/sub c/) that is very much smaller than the free-electron-gas estimate (rho/sup f//sub c/). We reexamine the effect of AMR's disorder-enhanced Coulomb repulsion using the Eliashberg equations for T/sub c/ rather than the simple two-square-well aproximation to them which is suspect when there are more than two characteristic frequencies involved. The most important modification of themore » original calculation is the inclusion of the Coulomb contribution to the renormalization function Z(..omega..).« less

Violations of K-Conservation in 178Hf

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

Hayes, A. B.; Cline, D.; Wu, C. Y.

2006-03-13

Coulomb excitation of K{pi}=6+(t1/2=77 ns), 8-(t1/2=4.0 s) and 16+(t1/2=31 y) 178Hf isomers has led to the measurement of a set of E{lambda} matrix elements, coupling the isomer bands to the {gamma}- and ground state bands. The resulting matrix elements, derived using a coupled-channel semiclassical Coulomb excitation search code, have been used to probe the K-components in the wave functions and revealed the onset and saturation of K-mixing in low-K bands, whereas K-mixing is negligible in the high-K bands. The implications can be applied to other quadrupole-deformed nuclei. An upper limit on the Coulomb depopulation yield of the 16+ isomer wasmore » calculated based on the present set of matrix elements.« less

Influences of temperature and impurity on excited state of bound polaron in the parabolic quantum dots

NASA Astrophysics Data System (ADS)

Xiao, Jing-Lin

2014-06-01

On the condition of strong electron-LO phonon coupling in parabolic quantum dot (QD), the first excited state energy, the excitation energy and the transition frequency between the first excited and the ground states of the bound polaron are calculated by using the linear combination operator and the unitary transformation methods. The variation of the above quantities with the temperature, the Coulombic impurity potential and the QD confinement strength are studied in detail. We find that (1) These physical quantities will increase with increasing temperature. (2) They are increasing functions of the confinement strength due to the existence of the Coulombic impurity potential between the electron and the hydrogen-like impurity. (3) We obtain three ways of tuning them via controlling the temperature, the Coulombic impurity potential and the confinement strength.

Stability of Dirac Liquids with Strong Coulomb Interaction.

PubMed

Tupitsyn, Igor S; Prokof'ev, Nikolay V

2017-01-13

We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln(L)∼40), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T=0 state with divergent Fermi velocity.

Time-dependent photon heat transport through a mesoscopic Josephson device

NASA Astrophysics Data System (ADS)

Lu, Wen-Ting; Zhao, Hong-Kang

2017-02-01

The time-oscillating photon heat current through a dc voltage biased mesoscopic Josephson Junction (MJJ) has been investigated by employing the nonequilibrium Green's function approach. The Landauer-like formula of photon heat current has been derived in both of the Fourier space and its time-oscillating versions, where Coulomb interaction, self inductance, and magnetic flux take effective roles. Nonlinear behaviors are exhibited in the photon heat current due to the quantum nature of MJJ and applied external dc voltage. The magnitude of heat current decreases with increasing the external bias voltage, and subtle oscillation structures appear as the superposition of different photon heat branches. The overall period of heat current with respect to time is not affected by Coulomb interaction, however, the magnitude and phase of it vary considerably by changing the Coulomb interaction.

Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition.

PubMed

Čársky, Petr; Čurík, Roman; Varga, Štefan

2012-03-21

The objective of this paper is to show that the density fitting (resolution of the identity approximation) can also be applied to Coulomb integrals of the type (k(1)(1)k(2)(1)|g(1)(2)g(2)(2)), where k and g symbols refer to plane-wave functions and gaussians, respectively. We have shown how to achieve the accuracy of these integrals that is needed in wave-function MO and density functional theory-type calculations using mixed Gaussian and plane-wave basis sets. The crucial issues for achieving such a high accuracy are application of constraints for conservation of the number electrons and components of the dipole moment, optimization of the auxiliary basis set, and elimination of round-off errors in the matrix inversion. © 2012 American Institute of Physics

A Viscoelastic earthquake simulator with application to the San Francisco Bay region

USGS Publications Warehouse

Pollitz, Fred F.

2009-01-01

Earthquake simulation on synthetic fault networks carries great potential for characterizing the statistical patterns of earthquake occurrence. I present an earthquake simulator based on elastic dislocation theory. It accounts for the effects of interseismic tectonic loading, static stress steps at the time of earthquakes, and postearthquake stress readjustment through viscoelastic relaxation of the lower crust and mantle. Earthquake rupture initiation and termination are determined with a Coulomb failure stress criterion and the static cascade model. The simulator is applied to interacting multifault systems: one, a synthetic two-fault network, and the other, a fault network representative of the San Francisco Bay region. The faults are discretized both along strike and along dip and can accommodate both strike slip and dip slip. Stress and seismicity functions are evaluated over 30,000 yr trial time periods, resulting in a detailed statistical characterization of the fault systems. Seismicity functions such as the coefficient of variation and a- and b-values exhibit systematic patterns with respect to simple model parameters. This suggests that reliable estimation of the controlling parameters of an earthquake simulator is a prerequisite to the interpretation of its output in terms of seismic hazard.

Mapping b-value for 2009 Harrat Lunayyir earthquake swarm, western Saudi Arabia and Coulomb stress for its mainshock

NASA Astrophysics Data System (ADS)

Abdelfattah, Ali K.; Mogren, Saad; Mukhopadhyay, Manoj

2017-01-01

The Harrat Lunayyir (HL) earthquake swarm of 2009 originated in the HL volcanic field and attracted global attention mainly due to three factors: (i) its relatively short life span that ushered a large frequency of the swarm population (30,000 events in < 2 years), (ii) the swarm epicenter zone was contained within a small crustal volume under the HL and (iii) the migratory nature of the swarm following the tectonic trend of a normal fault zone beneath HL. The HL belongs to the Large Igneous Province of Saudi Arabia (LIP-SA) where it correlates to the Great Dikes locally. Our aim in this study is to describe the spatial distribution of the hypocenters, b-value character, and Coulomb stress failure (CSF) in an attempt to analyze the underlying geodynamic process that caused the swarm. We utilize the relocated hypocenters monitored by local networks to examine the b-value characteristics for the swarm. This is best represented in a cross section showing two domains of higher b-value anomalies: two patches occurring at shallow depth and at the deeper crust to the SE from the mainshock originated at the shallower depth northwestward. Consistently positive ΔCFF pattern with a large percentage of aftershocks imply how the mainshock rupture controlled the aftershocks activity. This implies that the failure along the NNW fault trend is due to the prevailing ambient stress field imparted to the swarm. We model this by CSF associated with the mainshock for three time dependent situations: (a) foreshock and aftershock epicenters, (b) foreshock hypocenters, and (c) aftershock hypocenters. In actuality, multiple factors might have controlled the aftershock activity as we speculate that positive Coulomb stress was associated in an area where the higher b-value prevails. The CSF produced by the mainshock illustrates how the stress dissipated along the NNW normal fault zone that interrupts the Great Dykes along the Red Sea coast. These results further suggest that the crustal heterogeneity under HL act as an asperity in the epicentral area, whose origin may relate to magma intrusion into upper crust. However, seismic survey is required for detailing this geologic inference.

Stress distribution along the Fairweather-Queen Charlotte transform fault system

USGS Publications Warehouse

Bufe, C.G.

2005-01-01

Tectonic loading and Coulomb stress transfer are modeled along the right-lateral Fairweather-Queen Charlotte transform fault system using a threedimensional boundary element program. The loading model includes slip below 12 km along the transform as well as motion of the Pacific plate, and it is consistent with most available Global Positioning System (GPS) displacement rate data. Coulomb stress transfer is shown to have been a weak contributing factor in the failure of the southeastern (Sitka) segment of the Fairweather fault in 1972, hastening the occurrence of the earthquake by only about 8 months. Failure of the Sitka segment was enhanced by a combination of cumulative loading from below (95%) by slip of about 5 cm/yr since 1848, by stress transfer (about 1%) from major earthquakes on straddling segments of the Queen Charlotte fault (M 8.1 in 1949) and the Fairweather fault (M 7.8 in 1958), and by viscoelastic relaxation (about 4%) following the great 1964 Alaska earthquake, modeled by Pollitz et al. (1998). Cumulative stress increases in excess of 7 MPa at a depth of 8 km are projected prior to the M 7.6 earthquake. Coulomb stress transferred by the rupture of the great M 9.2 Alaska earthquake in 1964 (Bufe, 2004a) also hastened the occurrence of the 1972 event, but only by a month or two. Continued tectonic loading over the last half century and stress transfer from the M 7.6 Sitka event has resulted in restressing of the adjacent segments by about 3 MPa at 8 km depth. The occurrence of a M 6.8 earthquake on the northwestern part of the Queen Charlotte fault on 28 June 2004, the largest since 1949, also suggests increased stress. The Cape St. James segment of the fault immediately southeast of the 1949 Queen Charlotte rupture has accumulated about 6 MPa at 8 km through loading since 1900 and stress transfer in 1949. A continued rise in earthquake hazard is indicated for the Alaska panhandle and Queen Charlotte Islands region in the decades ahead as the potential for damaging earthquakes increases.

Completeness of the Coulomb Wave Functions in Quantum Mechanics

ERIC Educational Resources Information Center

Mukunda, N.

1978-01-01

Gives an explicit and elementary proof that the radial energy eigenfunctions for the hydrogen atom in quantum mechanics, bound and scattering states included, form a complete set. The proof uses some properties of the confluent hypergeometric functions and the Cauchy residue theorem from analytic function theory. (Author/GA)

A stress-dependent model for reservoir stimulation in enhanced geothermal systems

NASA Astrophysics Data System (ADS)

Troiano, Antonio; Giulia Di Giuseppe, Maria; Troise, Claudia; De Natale, Giuseppe

2015-04-01

We present a procedure for testing the interpretation of the induced seismicity. The procedure is based on Coulomb stress changes induced by deep fluid injection during well stimulation, providing a way to estimate how the potential for seismic failure in different volumes of a geothermal reservoir might change due to the water injection. Coulomb stress changes appear to be the main cause for the induced seismicity during the water injection. These stress changes do not only result from changes in the pore pressure, but also from the whole change in the stress tensor at any point in the medium, which results from the pressure perturbations. The numerical procedure presented takes into account the permeability increase that is due to the induced stress changes. A conceptual model that links the induced stress tensor and the permeability modifications is considered to estimate the permeability change induced during the water injection. In this way, we can adapt the medium behavior to mechanical changes, in order to better evaluate the effectiveness of the stimulation process for the enhancement of the reservoir permeability, while also refining the reconstruction of the Coulomb stress change patterns. Numerical tests have been developed that consider a physical medium and a geometry of the system comparable with that of Soultz EGS site (Alsace, France). Tests considering a fixed permeability, both isotropic and anisotropic, indicate a general decrease in the pressure changes when an anisotropic permeability was considered, with respect to the isotropic case. A marked elongation of the coulomb stress change patterns in the regional load direction was retrieved. This effect is enforced when a stress-dependent permeability is taken into account. Permeability enhancement progressively enlarges the seismic volume in turns, while decreasing the pressure in the neighborhood of the bottom of the well. The use of stress-dependent permeability also improves the reconstruction of the observed seismicity pattern. In particular, the large maximum of the coulomb stress changes at the point of injection, which was already mitigated by the consideration of anisotropic permeability, appears further decreased in the new data. The improving of the correlation between the coulomb stress changes and the induced seismicity distribution supports the reliability and robustness of the main hypothesis of this study of the relationship between the induced stress tensor variation and the permeability enhancement. The use of stress-dependent permeability constitutes an important step towards the theoretical planning of stimulation procedures, and towards interpretation and mitigation of the induced seismicity.

Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse.

PubMed

Takanashi, Tsukasa; Nakamura, Kosuke; Kukk, Edwin; Motomura, Koji; Fukuzawa, Hironobu; Nagaya, Kiyonobu; Wada, Shin-Ichi; Kumagai, Yoshiaki; Iablonskyi, Denys; Ito, Yuta; Sakakibara, Yuta; You, Daehyun; Nishiyama, Toshiyuki; Asa, Kazuki; Sato, Yuhiro; Umemoto, Takayuki; Kariyazono, Kango; Ochiai, Kohei; Kanno, Manabu; Yamazaki, Kaoru; Kooser, Kuno; Nicolas, Christophe; Miron, Catalin; Asavei, Theodor; Neagu, Liviu; Schöffler, Markus; Kastirke, Gregor; Liu, Xiao-Jing; Rudenko, Artem; Owada, Shigeki; Katayama, Tetsuo; Togashi, Tadashi; Tono, Kensuke; Yabashi, Makina; Kono, Hirohiko; Ueda, Kiyoshi

2017-08-02

Coulomb explosion of diiodomethane CH 2 I 2 molecules irradiated by ultrashort and intense X-ray pulses from SACLA, the Japanese X-ray free electron laser facility, was investigated by multi-ion coincidence measurements and self-consistent charge density-functional-based tight-binding (SCC-DFTB) simulations. The diiodomethane molecule, containing two heavy-atom X-ray absorbing sites, exhibits a rather different charge generation and nuclear motion dynamics compared to iodomethane CH 3 I with only a single heavy atom, as studied earlier. We focus on charge creation and distribution in CH 2 I 2 in comparison to CH 3 I. The release of kinetic energy into atomic ion fragments is also studied by comparing SCC-DFTB simulations with the experiment. Compared to earlier simulations, several key enhancements are made, such as the introduction of a bond axis recoil model, where vibrational energy generated during charge creation processes induces only bond stretching or shrinking. We also propose an analytical Coulomb energy partition model to extract the essential mechanism of Coulomb explosion of molecules from the computed and the experimentally measured kinetic energies of fragment atomic ions by partitioning each pair Coulomb interaction energy into two ions of the pair under the constraint of momentum conservation. Effective internuclear distances assigned to individual fragment ions at the critical moment of the Coulomb explosion are then estimated from the average kinetic energies of the ions. We demonstrate, with good agreement between the experiment and the SCC-DFTB simulation, how the more heavily charged iodine fragments and their interplay define the characteristic features of the Coulomb explosion of CH 2 I 2 . The present study also confirms earlier findings concerning the magnitude of bond elongation in the ultrashort X-ray pulse duration, showing that structural damage to all but C-H bonds does not develop to a noticeable degree in the pulse length of ∼10 fs.

Experimental and theoretical double differential cross sections for electron impact ionization of methane

NASA Astrophysics Data System (ADS)

Yavuz, Murat; Ozer, Zehra Nur; Ulu, Melike; Champion, Christophe; Dogan, Mevlut

2016-04-01

Experimental and theoretical double differential cross sections (DDCSs) for electron-induced ionization of methane (CH4) are here reported for primary energies ranging from 50 eV to 350 eV and ejection angles between 25° and 130°. Experimental DDCSs are compared with theoretical predictions performed within the first Born approximation Coulomb wave. In this model, the initial molecular state is described by using single center wave functions, the incident (scattered) electron being described by a plane wave, while a Coulomb wave function is used for modeling the secondary ejected electron. A fairly good agreement may be observed between theory and experiment with nevertheless an expected systematic overestimation of the theory at low-ejection energies (<50 eV).

Action principle for Coulomb collisions in plasmas

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

Hirvijoki, Eero

In this study, an action principle for Coulomb collisions in plasmas is proposed. Although no natural Lagrangian exists for the Landau-Fokker-Planck equation, an Eulerian variational formulation is found considering the system of partial differential equations that couple the distribution function and the Rosenbluth-MacDonald-Judd potentials. Conservation laws are derived after generalizing the energy-momentum stress tensor for second order Lagrangians and, in the case of a test-particle population in a given plasma background, the action principle is shown to correspond to the Langevin equation for individual particles.

Action principle for Coulomb collisions in plasmas

DOE PAGES

Hirvijoki, Eero

2016-09-14

In this study, an action principle for Coulomb collisions in plasmas is proposed. Although no natural Lagrangian exists for the Landau-Fokker-Planck equation, an Eulerian variational formulation is found considering the system of partial differential equations that couple the distribution function and the Rosenbluth-MacDonald-Judd potentials. Conservation laws are derived after generalizing the energy-momentum stress tensor for second order Lagrangians and, in the case of a test-particle population in a given plasma background, the action principle is shown to correspond to the Langevin equation for individual particles.

Une formulation variationnelle du problème de contact avec frottement de Coulomb

NASA Astrophysics Data System (ADS)

Le van, Anh; Nguyen, Tai H. T.

2008-07-01

A variational relationship is proposed as the weak form of the large deformation contact problem with Coulomb friction. It is a mixed relationship involving both the displacements and the multipliers; the weighting functions are the virtual displacements and the virtual multipliers. It is shown that the proposed weak form is equivalent to the strong form of the initial/boundary value contact problem and the multipliers are equal to the contact tractions. To cite this article: A. Le van, T.H.T. Nguyen, C. R. Mecanique 336 (2008).

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

Ray, L.; Hoffmann, G.W.; Thaler, R.M.

The treatment of the Coulomb interaction in the multiple scattering theories of Kerman-McManus-Thaler and Watson is examined in detail. By neglecting virtual Coulomb excitations, the lowest order Coulomb term in the Watson optical potential is shown to be a convolution of the point Coulomb interaction with the distributed nuclear charge, while the equivalent Kerman-McManus-Thaler Coulomb potential is obtained from an averaged, single-particle Coulombic T matrix. The Kerman-McManus-Thaler Coulomb potential is expressed as the Watson Coulomb term plus additional Coulomb-nuclear and Coulomb-Coulomb cross terms, and the omission of the extra terms in usual Kerman-McManus-Thaler applications leads to negative infinite total reactionmore » cross section predictions and incorrect pure Coulomb scattering limits. Approximations are presented which eliminate these anomalies. Using the two-potential formula, the full projectile-nucleus T matrix is separated into two terms, one resulting from the distributed nuclear charge and the other being a Coulomb distorted nuclear T matrix. It is shown that the error resulting from the omission of the Kerman-McManus-Thaler Coulomb terms is effectively removed when the pure Coulomb T matrix in Kerman-McManus-Thaler is replaced by the analogous quantity in the Watson approach. Using the various approximations, theoretical angular distributions are obtained for 800 MeV p+/sup 208/Pb elastic scattering and compared with experimental data.« less

Six Impossible Things: Fractional Charge From Laughlin's Wave Function

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

Shrivastava, Keshav N.

2010-12-23

The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian.more » (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.« less

Modeling granular material flows: The angle of repose, fluidization and the cliff collapse problem

NASA Astrophysics Data System (ADS)

Holsapple, Keith A.

2013-07-01

I discuss theories of granular material flows, with application to granular flows on the earth and planets. There are two goals. First, there is a lingering belief of some that the standard continuum plasticity Mohr-Coulomb and/or Drucker-Prager models are not adequate for many large-scale granular flow problems. The stated reason for those beliefs is the fact that the final slopes of the run-outs in collapse, landslide problems, and large-scale cratering are well below the angle of repose of the material. That observation, combined with the supposition that in those models flow cannot occur with slopes less than the angle of repose, has led to a number of researchers suggesting a need for lubrication or fluidization mechanisms and modeling. That issue is investigated in detail and shown to be false. A complete analysis of slope failures according to the Mohr-Coulomb model is presented, with special attention to the relations between the angle of repose and slope failures. It is shown that slope failure can occur for slope angles both larger than and smaller than the angle of repose. Second, to study the details of landslide run-outs, finite-difference continuum code simulations of the prototypical cliff collapse problem, using the classical plasticity models, are presented, analyzed and compared to experiments. Although devoid of any additional fluidization models, those simulations match experiments in the literature extremely well. The dynamics of this problem introduces additional important features relating to the run-out and final slope angles. The vertical free surface begins to fall at the initial 90° and flow continues to a final slope less than 10°. The detail in the calculation is examined to show why flow persists at slope angles that appear to be less than the angle of repose. The motions include regions of solid-like, fluid-like, and gas-like flows without invoking any additional models.

Stress triggering of the 1999 Hector Mine earthquake by transient deformation following the 1992 Landers earthquake

USGS Publications Warehouse

Pollitz, F.F.; Sacks, I.S.

2002-01-01

The M 7.3 June 28, 1992 Landers and M 7.1 October 16, 1999 Hector Mine earthquakes, California, both right lateral strike-slip events on NNW-trending subvertical faults, occurred in close proximity in space and time in a region where recurrence times for surface-rupturing earthquakes are thousands of years. This suggests a causal role for the Landers earthquake in triggering the Hector Mine earthquake. Previous modeling of the static stress change associated with the Landers earthquake shows that the area of peak Hector Mine slip lies where the Coulomb failure stress promoting right-lateral strike-slip failure was high, but the nucleation point of the Hector Mine rupture was neutrally to weakly promoted, depending on the assumed coefficient of friction. Possible explanations that could account for the 7-year delay between the two ruptures include background tectonic stressing, dissipation of fluid pressure gradients, rate- and state-dependent friction effects, and post-Landers viscoelastic relaxation of the lower crust and upper mantle. By employing a viscoelastic model calibrated by geodetic data collected during the time period between the Landers and Hector Mine events, we calculate that postseismic relaxation produced a transient increase in Coulomb failure stress of about 0.7 bars on the impending Hector Mine rupture surface. The increase is greatest over the broad surface that includes the 1999 nucleation point and the site of peak slip further north. Since stress changes of magnitude greater than or equal to 0.1 bar are associated with documented causal fault interactions elsewhere, viscoelastic relaxation likely contributed to the triggering of the Hector Mine earthquake. This interpretation relies on the assumption that the faults occupying the central Mojave Desert (i.e., both the Landers and Hector Mine rupturing faults) were critically stressed just prior to the Landers earthquake.

Progressive failure during the 1596 Keicho earthquakes on the Median Tectonic Line active fault zone, southwest Japan

NASA Astrophysics Data System (ADS)

Ikeda, M.; Toda, S.; Nishizaka, N.; Onishi, K.; Suzuki, S.

2015-12-01

Rupture patterns of a long fault system are controlled by spatial heterogeneity of fault strength and stress associated with geometrical characteristics and stress perturbation history. Mechanical process for sequential ruptures and multiple simultaneous ruptures, one of the characteristics of a long fault such as the North Anatolian fault, governs the size and frequency of large earthquakes. Here we introduce one of the cases in southwest Japan and explore what controls rupture initiation, sequential ruptures and fault branching on a long fault system. The Median Tectonic Line active fault zone　(hereinafter MTL) is the longest and most active fault in Japan. Based on historical accounts, a series of M ≥ 7 earthquakes occurred on at least a 300-km-long portion of the MTL in 1596. On September 1, the first event occurred on the Kawakami fault segment, in Central Shikoku, and the subsequent events occurred further west. Then on September 5, another rupture initiated from the Central to East Shikoku and then propagated toward the Rokko-Awaji fault zone to Kobe, a northern branch of the MTL, instead of the eastern main extent of the MTL. Another rupture eventually extended to near Kyoto. To reproduce this progressive failure, we applied two numerical models: one is a coulomb stress transfer; the other is a slip-tendency analysis under the tectonic stress. We found that Coulomb stress imparted from historical ruptures have triggered the subsequent ruptures nearby. However, stress transfer does not explain beginning of the sequence and rupture directivities. Instead, calculated slip-tendency values show highly variable along the MTL: high and low seismic potential in West and East Shikoku. The initiation point of the 1596 progressive failure locates near the boundary in the slip-tendency values. Furthermore, the slip-tendency on the Rokko-Awaji fault zone is far higher than that of the MTL in Wakayama, which may explain the rupture directivity toward Kobe-Kyoto.

Isospin-symmetry breaking in masses of N ≃ Z nuclei

NASA Astrophysics Data System (ADS)

Bączyk, P.; Dobaczewski, J.; Konieczka, M.; Satuła, W.; Nakatsukasa, T.; Sato, K.

2018-03-01

Effects of the isospin-symmetry breaking (ISB) beyond mean-field Coulomb terms are systematically studied in nuclear masses near the N = Z line. The Coulomb exchange contributions are calculated exactly. We use extended Skyrme energy density functionals (EDFs) with proton-neutron-mixed densities, to which we add new terms breaking the isospin symmetry. Two parameters associated with the new terms are determined by fitting mirror and triplet displacement energies (MDEs and TDEs) of isospin multiplets. The new EDFs reproduce MDEs for the T = 1/2 doublets and T = 1 triplets, and TDEs for the T = 1 triplets. Relative strengths of the obtained isospin-symmetry-breaking terms are not consistent with the differences in the NN scattering lengths, ann, app, and anp. Based on low-energy experimental data, it seems thus impossible to delineate the strong-force ISB effects from beyond-mean-field Coulomb-energy corrections.

More major earthquakes at the Nepal Himalaya? - Study on Coulomb stress perspective

NASA Astrophysics Data System (ADS)

Som, S. K.; Sarkar, Subhrasuchi; Dasgupta, Soumitra

2018-07-01

On April 2015 a major earthquake of 7.9 Mw occurred in the Nepal Himalaya, followed by 553 earthquakes of local magnitude greater than 4.0 within the first 43 days including another major event of 7.3 Mw. We resolve the static coulomb failure stress (CFS) change onto the finite fault models of 7.9 Mw after Elliott et al. (2016) and Galezka et al. (2015) and its effect on associated receiver faults. Correlation of aftershocks with the enhanced CFS condition shows that the Elliott et al. (2016) model explains 60.4% and the Galezka et al. (2015) model explains about 47.7% of the aftershocks in high stress regions. Aftershocks were poorly spatially correlated with the enhanced CFS condition after the 7.9 Mw main shock and can be explained by correlation with release of seismic energy from the associated secondarily stressed prominent thrust planes and transverse faults. Stress resolved on the associated receiver faults show increased stress on both transverse and thrust fault systems with the potential of triggering significant aftershocks or subsequent main shocks.

Characteristics of Induced and Tectonic Seismicity in Oklahoma Based on High-precision Earthquake Relocations and Focal mechanisms

NASA Astrophysics Data System (ADS)

Aziz Zanjani, F.; Lin, G.

2016-12-01

Seismic activity in Oklahoma has greatly increased since 2013, when the number of wastewater disposal wells associated with oil and gas production was significantly increased in the area. An M5.8 earthquake at about 5 km depth struck near Pawnee, Oklahoma on September 3, 2016. This earthquake is postulated to be related with the anthropogenic activity in Oklahoma. In this study, we investigate the seismic characteristics in Oklahoma by using high-precision earthquake relocations and focal mechanisms. We acquire the seismic data between January 2013 and October 2016 recorded by the local and regional (within 200 km distance from the Pawnee mainshock) seismic stations from the Incorporated Research Institutions for Seismology (IRIS). We relocate all the earthquakes by applying the source-specific station term method and a differential time relocation method based on waveform cross-correlation data. The high-precision earthquake relocation catalog is then used to perform full-waveform modeling. We use Muller's reflection method for Green's function construction and the mtinvers program for moment tensor inversion. The sensitivity of the solution to the station and component distribution is evaluated by carrying out the Jackknife resampling. These earthquake relocation and focal mechanism results will help constrain the fault orientation and the earthquake rupture length. In order to examine the static Coulomb stress change due to the 2016 Pawnee earthquake, we utilize the Coulomb 3 software in the vicinity of the mainshock and compare the aftershock pattern with the calculated stress variation. The stress change in the study area can be translated into probability of seismic failure on other parts of the designated fault.

Auxiliary basis expansions for large-scale electronic structure calculations

PubMed Central

Jung, Yousung; Sodt, Alex; Gill, Peter M. W.; Head-Gordon, Martin

2005-01-01

One way to reduce the computational cost of electronic structure calculations is to use auxiliary basis expansions to approximate four-center integrals in terms of two- and three-center integrals, usually by using the variationally optimum Coulomb metric to determine the expansion coefficients. However, the long-range decay behavior of the auxiliary basis expansion coefficients has not been characterized. We find that this decay can be surprisingly slow. Numerical experiments on linear alkanes and a toy model both show that the decay can be as slow as 1/r in the distance between the auxiliary function and the fitted charge distribution. The Coulomb metric fitting equations also involve divergent matrix elements for extended systems treated with periodic boundary conditions. An attenuated Coulomb metric that is short-range can eliminate these oddities without substantially degrading calculated relative energies. The sparsity of the fit coefficients is assessed on simple hydrocarbon molecules and shows quite early onset of linear growth in the number of significant coefficients with system size using the attenuated Coulomb metric. Hence it is possible to design linear scaling auxiliary basis methods without additional approximations to treat large systems. PMID:15845767

Discrete element simulations of gravitational volcanic deformation. 1; Deformation structures and geometries

NASA Technical Reports Server (NTRS)

Morgan, Julia K.; McGovern, Patrick J.

2005-01-01

We have carried out two-dimensional particle dynamics simulations of granular piles subject to frictional Coulomb failure criteria to gain a first-order understanding of different modes of gravitational deformation within volcanoes. Under uniform basal and internal strength conditions, granular piles grow self-similarly, developing distinctive stratigraphies, morphologies, and structures. Piles constructed upon cohesive substrates exhibit particle avalanching, forming outward dipping strata and angle of repose slopes. Systematic decreases in basal strength lead to progressively deeper and steeper internal detachment faults and slip along a basal decollement; landslide forms grade from shallow slumps to deep-seated landslide and, finally, to axial subsidence and outward flank displacements, or volcanic spreading. Surface slopes decrease and develop concave up morphologies with decreasing decollement strength; depositional layers tilt progressively inward. Spatial variations in basal strength cause lateral transitions in pile structure, stratigraphy, and morphology. This approximation of volcanoes as Coulomb granular piles reproduces the richness of deformational structures and surface morphologies in many volcanic settings. The gentle slopes of Hawaiian volcanoes and Olympus Mons on Mars suggest weak basal decollements that enable volcanic spreading. High-angle normal faults, favored above weak decollements, are interpreted in both settings and may explain catastrophic sector collapse in Hawaii and broad aureole deposits surrounding Olympus Mons. In contrast, steeper slopes and shallow detachment faults predominate in the Canary Islands, thought to lack a weak decollement, favoring smaller, more frequent slope failures than predicted for Hawaii. The numerical results provide a useful predictive tool for interpreting dynamic behavior and associated geologic hazards of active volcanoes.

Extracting nuclear sizes of medium to heavy nuclei from total reaction cross sections

NASA Astrophysics Data System (ADS)

Horiuchi, W.; Hatakeyama, S.; Ebata, S.; Suzuki, Y.

2016-04-01

Background: Proton and neutron radii are fundamental quantities of atomic nuclei. To study the sizes of short-lived unstable nuclei, there is a need for an alternative to electron scattering. Purpose: The recent paper by Horiuchi et al. [Phys. Rev. C 89, 011601(R) (2014)], 10.1103/PhysRevC.89.011601 proposed a possible way of extracting the matter and neutron-skin thickness of light- to medium-mass nuclei using total reaction cross section, σR. The analysis is extended to medium to heavy nuclei up to lead isotopes with due attention to Coulomb breakup contributions as well as density distributions improved by paring correlation. Methods: We formulate a quantitative calculation of σR based on the Glauber model including the Coulomb breakup. To substantiate the treatment of the Coulomb breakup, we also evaluate the Coulomb breakup cross section due to the electric dipole field in a canonical-basis-time-dependent-Hartree-Fock-Bogoliubov theory in the three-dimensional coordinate space. Results: We analyze σR's of 103 nuclei with Z =20 , 28, 40, 50, 70, and 82 incident on light targets, H,21, 4He, and 12C. Three kinds of Skyrme interactions are tested to generate those wave functions. To discuss possible uncertainty due to the Coulomb breakup, we examine its dependence on the target, the incident energy, and the Skyrme interaction. The proton is a most promising target for extracting the nuclear sizes as the Coulomb excitation can safely be neglected. We find that the so-called reaction radius, aR=√{σR/π } , for the proton target is very well approximated by a linear function of two variables, the matter radius and the skin thickness, in which three constants depend only on the incident energy. We quantify the accuracy of σR measurements needed to extract the nuclear sizes. Conclusions: The proton is the best target because, once the incident energy is set, its aR is very accurately determined by only the matter radius and neutron-skin thickness. If σR's at different incident energies are measured, one can determine both the proton and neutron radii for unstable nuclei as well. The total reaction cross sections calculated in this paper are given as Supplemental Material for the sake of future measurements.

Effects of interdot hopping and Coulomb blockade on the thermoelectric properties of serially coupled quantum dots

PubMed Central

2012-01-01

We have theoretically studied the thermoelectric properties of serially coupled quantum dots (SCQDs) embedded in an insulator connected to metallic electrodes. In the framework of Keldysh Green’s function technique, the Landauer formula of transmission factor is obtained using the equation of motion method. Based on such analytical expressions of charge and heat currents, we calculate the electrical conductance, Seebeck coefficient, electron thermal conductance, and figure of merit (ZT) of SCQDs in the linear response regime. The effects of interdot hopping and electron Coulomb interactions on ZT are analyzed. We demonstrate that ZT is not a monotonic increasing function of interdot electron hopping strength (tc). We also show that in the absence of phonon thermal conductance, SCQD can reach the Carnot efficiency as tcapproaches zero. PMID:22591807

A new analysis technique to measure fusion excitation functions with large beam energy dispersions

NASA Astrophysics Data System (ADS)

Figuera, P.; Di Pietro, A.; Fisichella, M.; Lattuada, M.; Shotter, A. C.; Ruiz, C.; Zadro, M.

2018-01-01

Peculiar nuclear structures of two colliding nuclei such has clustering, neutron halo/skin or very low breakup thresholds can affect the reaction dynamics below the Coulomb barrier and this may also have astrophysical consequences. In order to have a better understanding of this topic, in the last decade, several experiments were performed. A typical experimental challenge of such studies is the need to measure excitation functions below the Coulomb barrier, having a strong energy dependence, with rather large beam energy dispersions inside the target. This may easily lead to ambiguities in associating the measured cross section with a proper beam energy. In this paper a discussion on this topic is reported and a new technique to deal with the above problem will be proposed.

Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer.

PubMed

Chalabala, Jan; Uhlig, Frank; Slavíček, Petr

2018-03-29

Ionization in the condensed phase and molecular clusters leads to a complicated chain of processes with coupled electron-nuclear dynamics. It is difficult to describe such dynamics with conventional nonadiabatic molecular dynamics schemes since the number of states swiftly increases as the molecular system grows. It is therefore attractive to use a direct electron and nuclear propagation such as the real-time time-dependent density functional theory (RT-TDDFT). Here we report a RT-TDDFT benchmark study on simulations of singly and doubly ionized states of a water monomer and dimer as a prototype for more complex processes in a condensed phase. We employed the RT-TDDFT based Ehrenfest molecular dynamics with a generalized gradient approximate (GGA) functional and compared it with wave-function-based surface hopping (SH) simulations. We found that the initial dynamics of a singly HOMO ionized water dimer is similar for both the RT-TDDFT/GGA and the SH simulations but leads to completely different reaction channels on a longer time scale. This failure is attributed to the self-interaction error in the GGA functionals and it can be avoided by using hybrid functionals with large fraction of exact exchange (represented here by the BHandHLYP functional). The simulations of doubly ionized states are reasonably described already at the GGA level. This suggests that the RT-TDDFT/GGA method could describe processes following the autoionization processes such as Auger emission, while its applicability to more complex processes such as intermolecular Coulombic decay remains limited.

Coulomb string tension, asymptotic string tension, and the gluon chain

DOE PAGES

Greensite, Jeff; Szczepaniak, Adam P.

2015-02-01

We compute, via numerical simulations, the non-perturbative Coulomb potential and position-space ghost propagator in pure SU(3) gauge theory in Coulomb gauge. We find that that the Coulomb potential scales nicely in accordance with asymptotic freedom, that the Coulomb potential is linear in the infrared, and that the Coulomb string tension is about four times larger than the asymptotic string tension. We explain how it is possible that the asymptotic string tension can be lower than the Coulomb string tension by a factor of four.

Thermal and Nonthermal Electron-ion Bremsstrahlung Spectrum from High-Temperature Plasmas

NASA Technical Reports Server (NTRS)

Jung, Young-Dae

1994-01-01

Electron-ion bremsstrahlung radiation from high-temperature plasmas is investigated. The first- and second-order Coulomb corrections in the nonrelativistic bremsstrahlung radiation power are obtained by the Elwert-Sommerfeld factor. In this paper, two cases of the electron distributions, the thermal and nonthermal power-law distributions, are considered. The inclusion of Coulomb corrections is necessary in deducing correctly the electron distribution function from radiation data. These results provide the correct information of electron distributions in high-temperature plasmas, such as in inertial confinement fusion plasmas and in the astrophysical hot thermal and nonthermal x-ray sources.

Approximate arbitrary κ-state solutions of Dirac equation with Schiöberg and Manning-Rosen potentials within the coulomb-like Yukawa-like and generalized tensor interactions

NASA Astrophysics Data System (ADS)

Ikot, Akpan N.; Hassanabadi, Hassan; Obong, Hillary Patrick; Mehraban, H.; Yazarloo, Bentol Hoda

2015-07-01

The effects of Coulomb-like tensor (CLT), Yukawa-like tensor (YLT) and generalized tensor (GLT) interactions are investigated in the Dirac theory with Schiöberg and Manning-Rosen potentials within the framework of spin and pseudospin symmetries using the Nikiforov-Uvarov method. The bound state energy spectra and the radial wave functions have been approximately obtained in the case of spin and pseudospin symmetries. We have also reported some numerical results and figures to show the effects these tensor interactions.

Failure in laboratory fault models in triaxial tests

USGS Publications Warehouse

Savage, J.C.; Lockner, D.A.; Byerlee, J.D.

1996-01-01

A model of a fault in the Earth is a sand-filled saw cut in a granite cylinder subjected to a triaxial test. The saw cut is inclined at an angle a to the cylinder axis, and the sand filling is intended to represent gouge. The triaxial test subjects the granite cylinder to a constant confining pressure and increasing axial stress to maintain a constant rate of shortening of the cylinder. The required axial stress increases at a decreasing rate to a maximum, beyond which a roughly constant axial stress is sufficient to maintain the constant rate of shortening: Such triaxial tests were run for saw cuts inclined at angles ?? of 20??, 25??, 30??, 35??, 40??, 45??, and 50?? to the cylinder axis, and the apparent coefficient of friction ??a (ratio of the shear stress to the normal stress, both stresses resolved onto the saw cut) at failure was determined. Subject to the assumption that the observed failure involves slip on Coulomb shears (orientation unspecified), the orientation of the principal compression axis within the gouge can be calculated as a function of ??a for a given value of the coefficient of internal friction ??i. The rotation of the principal stress axes within the gouge in a triaxial test can then be followed as the shear strain across the gouge layer increases. For ??i ??? 0.8, an appropriate value for highly sheared sand, the observed values ??a imply that the principal-axis of compression within the gouge rotates so as to approach being parallel to the cylinder axis for all saw cut angles (20?? < ?? < 50??). In the limiting state (principal compression axis parallel to cylinder axis) the stress state in the gouge layer would be the same as that in the granite cylinder, and the failure criterion would be independent of the saw cut angle.

Accelerated Testing and Modeling of Potential-Induced Degradation as a Function of Temperature and Relative Humidity

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

Hacke, Peter; Spataru, Sergiu; Terwilliger, Kent

2015-06-14

An acceleration model based on the Peck equation was applied to power performance of crystalline silicon cell modules as a function of time and of temperature and humidity, the two main environmental stress factors that promote potential-induced degradation. This model was derived from module power degradation data obtained semi-continuously and statistically by in-situ dark current-voltage measurements in an environmental chamber. The modeling enables prediction of degradation rates and times as functions of temperature and humidity. Power degradation could be modeled linearly as a function of time to the second power; additionally, we found that coulombs transferred from the active cellmore » circuit to ground during the stress test is approximately linear with time. Therefore, the power loss could be linearized as a function of coulombs squared. With this result, we observed that when the module face was completely grounded with a condensed phase conductor, leakage current exceeded the anticipated corresponding degradation rate relative to the other tests performed in damp heat.« less

Argonne National Laboratory Li-alloy/FeS cell testing and R and D programs

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

Gay, E.C.

1982-01-01

Groups of 12 or more identical Li-alloy/FeS cells fabricated by Eagle-Picher Industries, Inc. and Gould Inc. were operated at Argonne National Laboratory (ANL) in the status cell test program to obtain data for statistical analysis of cell cycle life and failure modes. The cells were full-size electric vehicle battery cells (150 to 350 Ah capacity) and they were cycled at the 4-h discharge rate and 8-h charge rate. The end of life was defined as a 20% loss of capacity or a decrease in the coulombic efficiency to less than 95%. Seventy-four cells (six groups of identical cells) were cycle-lifemore » tested and the results were analyzed statistically. The ultimate goal of this analysis was to predict cell and battery reliability. Testing of groups of identical cells also provided a means of identifying common failure modes which were eliminated by cell design changes. Mean time to failure (MTTF) for the cells based on the Weibull distribution is presented.« less

The influence of normal fault geometry on porous sandstone deformation: Insights from mechanical models into conditions leading to Coulomb failure and shear-enhanced compaction

NASA Astrophysics Data System (ADS)

Allison, K.; Reinen, L. A.

2011-12-01

Slip on non-planar faults produces stress perturbations in the surrounding host rock that can yield secondary faults at a scale too small to be resolved on seismic surveys. Porosity changes during failure may affect the ability of the rock to transmit fluids through dilatant cracking or, in porous rocks, shear-enhanced compaction (i.e., cataclastic flow). Modeling the mechanical behavior of the host rock in response to slip on non-planar faults can yield insights into the role of fault geometry on regions of enhanced or inhibited fluid flow. To evaluate the effect of normal fault geometry on deformation in porous sandstones, we model the system as a linear elastic, homogeneous, whole or half space using the boundary-element modeling program Poly3D. We consider conditions leading to secondary deformation using the maximum Coulomb shear stress (MCSS) as an index of brittle deformation and proximity to an elliptical yield envelope (Y), determined experimentally for porous sandstone (Baud et al., JGR, 2006), for cataclastic flow. We model rectangular faults consisting of two segments: an upper leg with a constant dip of 60° and a lower leg with dips ranging 15-85°. We explore far-field stress models of constant and gradient uniaxial strain. We investigate the potential damage in the host rock in two ways: [1] the size of the damage zone, and [2] regions of enhanced deformation indicated by elevated MCSS or Y. Preliminary results indicate that, along a vertical transect passing through the fault kink, [1] the size of the damage zone increases in the footwall with increasing lower leg dip and remains constant in the hanging wall. [2] In the footwall, the amount of deformation does not change as a function of lower leg dip in constant stress models; in gradient stress models, both MCSS and Y increase with dip. In the hanging wall, Y decreases with increasing lower leg dip for both constant and gradient stress models. In contrast, MCSS increases: as lower leg dip increases for constant stress models, and as the difference between lower leg dip and 60° increases for gradient stress models. These preliminary results indicate that the dip of the lower fault segment significantly affects the amount and style of deformation in the host rock.

Monte Carlo Calculations of F-region Incoherent Radar Spectra at High Latitudes: the Effect of O+-O+ Coulomb Collisions

NASA Astrophysics Data System (ADS)

Barghouthi, I.; Barakat, A.

We have used Monte Carlo simulations of O+ velocity distributions in the high latitude F-region to improve the calculation of incoherent radar spectra in auroral ionosphere. The Monte Carlo simulation includes ion-neutral O+ -- O resonant charge exchange and polarization interactions as well as Coulomb self-collisions O+ -- O+. At a few hundreds kilometers of altitude, atomic oxygen O and atomic oxygen ion O+ dominate the composition of the auroral ionosphere and, consequently, the influence of O+ -- O+ Coulomb collisions becomes significant. In this study we consider the effect of O+ -- O+ collisions on the incoherent radar spectra in the presence of large electric field (˜ 100 mVm-1). As altitude increases, (i.e. the role of O+ -- O+ becomes significant), the 1-D O+ ion velocity distribution function becomes more Maxwellian and the features of the radar spectrum corresponding to non-Maxwellian ion velocity distribution (e.g. baby bottle and triple hump shapes) evolve to Maxwellian ion velocity distribution (single and double hump shapes). Therefore, O+ -- O+ Coulomb collisions act to istropize the 1-D O+ velocity distribution, and modify the radar spectrum accordingly, by transferring thermal energy from the perpendicular direction to the parallel direction.

Controlling the reproducibility of Coulomb blockade phenomena for gold nanoparticles on an organic monolayer/silicon system.

PubMed

Caillard, L; Sattayaporn, S; Lamic-Humblot, A-F; Casale, S; Campbell, P; Chabal, Y J; Pluchery, O

2015-02-13

Two types of highly ordered organic layers were prepared on silicon modified with an amine termination for binding gold nanoparticles (AuNPs). These two grafted organic monolayers (GOMs), consisting of alkyl chains with seven or 11 carbon atoms, were grafted on oxide-free Si(111) surfaces as tunnel barriers between the silicon electrode and the AuNPs. Three kinds of colloidal AuNPs were prepared by reducing HAuCl4 with three different reactants: citrate (Turkevich synthesis, diameter ∼16 nm), ascorbic acid (diameter ∼9 nm), or NaBH4 (Natan synthesis, diameter ∼7 nm). Scanning tunnel spectroscopy (STS) was performed in a UHV STM at 40 K, and Coulomb blockade behaviour was observed. The reproducibility of the Coulomb behavior was analysed as a function of several chemical and physical parameters: size, crystallinity of the AuNPs, influence of surrounding surfactant molecules, and quality of the GOM/Si interface (degree of oxidation after the full processing). Samples were characterized with scanning tunneling microscope, STS, atomic force microscope, Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy (XPS), and high resolution transmission electronic microscope. We show that the reproducibility in observing Coulomb behavior can be as high as ∼80% with the Natan synthesis of AuNPs and GOMs with short alkyl chains.

Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model.

PubMed

Butlitsky, M A; Zelener, B B; Zelener, B V

2014-07-14

A two-component plasma model, which we called a "shelf Coulomb" model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The "shelf Coulomb" model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ɛ parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ɛ and γ = βe(2)n(1/3) (where β = 1/kBT, n is the particle's density, kB is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ɛ and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ɛ(crit) ≈ 13(T(*)(crit) ≈ 0.076), γ(crit) ≈ 1.8(v(*)(crit) ≈ 0.17), P(*)(crit) ≈ 0.39, where specific volume v* = 1/γ(3) and reduced temperature T(*) = ɛ(-1).

Decay of equatorial ring current ions and associated aeronomical consequences

NASA Technical Reports Server (NTRS)

Fok, M.-C.; Kozyra, J. U.; Nagy, A. F.; Rasmussen, C. E.; Khazanov, G. V.

1993-01-01

The decay of the major ion species which constitute the ring current is studied by solving the time evolution of their distribution functions during the recovery phase of a moderate geomagnetic storm. In this work, only equatorially mirroring particles are considered. Particles are assumed to move subject to E x B and gradient drifts. They also experience loses along their drift paths. Two loss mechanisms are considered: charge exchange with neutral hydrogen atoms and Coulomb collisions with thermal plasma in the plasmasphere. Thermal plasma densities are calculated with a plasmaspheric model employing a time-dependent convection electric field model. The drift-loss model successfully reproduces a number of important and observable features in the distribution function. Charge exchange is found to be the major loss mechanism for the ring current ions; however the important effects of Coulomb collisions on both the ring current and thermal populations are also presented. The model predicts the formation of a low-energy (less than 500 eV) ion population as a result of energy degradation caused by Coulomb collision of the ring current ions with the plasmaspheric electrons; this population may be one source of the low-energy ions observed during active and quiet periods in the inner magnetosphere. The energy transferred to plasmaspheric electrons through Coulomb collisions with ring current ions is believed to be the energy source for the electron temperature enhancement and the associated 6300 A (stable auroral red (SAR) arc) emission in the subauroral region. The calculated energy deposition rate is sufficient to produce a subauroral electron temperature enhancement and SAR arc emissions that are consistent with observations of these quantities during moderate magnetic activity levels.

Attractive electron-electron interactions within robust local fitting approximations.

PubMed

Merlot, Patrick; Kjærgaard, Thomas; Helgaker, Trygve; Lindh, Roland; Aquilante, Francesco; Reine, Simen; Pedersen, Thomas Bondo

2013-06-30

An analysis of Dunlap's robust fitting approach reveals that the resulting two-electron integral matrix is not manifestly positive semidefinite when local fitting domains or non-Coulomb fitting metrics are used. We present a highly local approximate method for evaluating four-center two-electron integrals based on the resolution-of-the-identity (RI) approximation and apply it to the construction of the Coulomb and exchange contributions to the Fock matrix. In this pair-atomic resolution-of-the-identity (PARI) approach, atomic-orbital (AO) products are expanded in auxiliary functions centered on the two atoms associated with each product. Numerical tests indicate that in 1% or less of all Hartree-Fock and Kohn-Sham calculations, the indefinite integral matrix causes nonconvergence in the self-consistent-field iterations. In these cases, the two-electron contribution to the total energy becomes negative, meaning that the electronic interaction is effectively attractive, and the total energy is dramatically lower than that obtained with exact integrals. In the vast majority of our test cases, however, the indefiniteness does not interfere with convergence. The total energy accuracy is comparable to that of the standard Coulomb-metric RI method. The speed-up compared with conventional algorithms is similar to the RI method for Coulomb contributions; exchange contributions are accelerated by a factor of up to eight with a triple-zeta quality basis set. A positive semidefinite integral matrix is recovered within PARI by introducing local auxiliary basis functions spanning the full AO product space, as may be achieved by using Cholesky-decomposition techniques. Local completion, however, slows down the algorithm to a level comparable with or below conventional calculations. Copyright © 2013 Wiley Periodicals, Inc.

Electron correlation by polarization of interacting densities

NASA Astrophysics Data System (ADS)

Whitten, Jerry L.

2017-02-01

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize dynamically, thereby reducing the magnitude of the interaction. Exchange integrals of molecular orbitals are not correlated. The modified Coulomb interactions are used in single-determinant or configuration interaction calculations. The objective is to account for dynamical correlation effects without explicitly introducing higher spherical harmonic functions into the molecular orbital basis. Molecular orbital densities are decomposed into a distribution of spherical components that conserve the charge and each of the interacting components is considered as a two-electron wavefunction embedded in the system acted on by an average field Hamiltonian plus r12-1. A method of avoiding redundancy is described. Applications to atoms, negative ions, and molecules representing different types of bonding and spin states are discussed.

Quantum mechanics on phase space and the Coulomb potential

NASA Astrophysics Data System (ADS)

Campos, P.; Martins, M. G. R.; Vianna, J. D. M.

2017-04-01

Symplectic quantum mechanics (SMQ) makes possible to derive the Wigner function without the use of the Liouville-von Neumann equation. In this formulation of the quantum theory the Galilei Lie algebra is constructed using the Weyl (or star) product with Q ˆ = q ⋆ = q +iħ/2∂p , P ˆ = p ⋆ = p -iħ/2∂q, and the Schrödinger equation is rewritten in phase space; in consequence physical applications involving the Coulomb potential present some specific difficulties. Within this context, in order to treat the Schrödinger equation in phase space, a procedure based on the Levi-Civita (or Bohlin) transformation is presented and applied to two-dimensional (2D) hydrogen atom. Amplitudes of probability in phase space and the correspondent Wigner quasi-distribution functions are derived and discussed.

Cooper-pair-condensate fluctuations and plasmons in layered superconductors

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

Cote, R.; Griffin, A.

1993-10-01

Starting from a given attractive potential, we give a systematic analysis of the spin-singlet [ital s]-wave Cooper-pair-condensate fluctuations in a two-dimensional (2D) superconductor. These results are applied to a superlattice of superconducting sheets in which the 2D charge fluctuations are coupled via the Coulomb interaction. Our main interest is how the low-energy Anderson-Bogoliubov (AB) phonon mode in the pair-breaking gap [omega][lt]2[Delta] is modified by the Coulomb interaction. Our formal analysis is valid at arbitrary temperatures. It describes the weakly bound, large-Cooper-pair limit as well as the strongly bound, small-Cooper-pair limit and thus includes both the BCS and Bose-Einstein scenarios (asmore » discussed by Nozieres and Schmitt-Rink as well as Randeira [ital et] [ital al].). A comlete normal-mode analysis is given for a charged BCS superconductor, showing how the repulsive (Coulomb) interaction modifies the collective modes of a neutral superconductor. This complements the recent numerical study carried out by Fertig and Das Sarma. We show that the pair-response function shares the same spectrum as the charge-response function, given by the zero of the longitudinal dielectric function [epsilon]([bold q],[omega]). In 2D and layered superconductors, there is a low-frequency and high-frequency plasmon branch, separated by a relatively narrow particle-hole continuum at around 2[Delta]. The low-frequency ([omega][lt]2[Delta]) plasmon branch is a renormalized version of the AB phonon mode.« less

Influence of incomplete fusion on complete fusion at energies above the Coulomb barrier

NASA Astrophysics Data System (ADS)

Shuaib, Mohd; Sharma, Vijay R.; Yadav, Abhishek; Sharma, Manoj Kumar; Singh, Pushpendra P.; Singh, Devendra P.; Kumar, R.; Singh, R. P.; Muralithar, S.; Singh, B. P.; Prasad, R.

2017-10-01

In the present work, excitation functions of several reaction residues in the system 19F+169Tm, populated via the complete and incomplete fusion processes, have been measured using off-line γ-ray spectroscopy. The analysis of excitation functions has been done within the framework of statistical model code pace4. The excitation functions of residues populated via xn and pxn channels are found to be in good agreement with those estimated by the theoretical model code, which confirms the production of these residues solely via complete fusion process. However, a significant enhancement has been observed in the cross-sections of residues involving α-emitting channels as compared to the theoretical predictions. The observed enhancement in the cross-sections has been attributed to the incomplete fusion processes. In order to have a better insight into the onset and strength of incomplete fusion, the incomplete fusion strength function has been deduced. At present, there is no theoretical model available which can satisfactorily explain the incomplete fusion reaction data at energies ≈4-6 MeV/nucleon. In the present work, the influence of incomplete fusion on complete fusion in the 19F+169Tm system has also been studied. The measured cross-section data may be important for the development of reactor technology as well. It has been found that the incomplete fusion strength function strongly depends on the α-Q value of the projectile, which is found to be in good agreement with the existing literature data. The analysis strongly supports the projectile-dependent mass-asymmetry systematics. In order to study the influence of Coulomb effect ({Z}{{P}}{Z}{{T}}) on incomplete fusion, the deduced strength function for the present work is compared with the nearby projectile-target combinations. The incomplete fusion strength function is found to increase linearly with {Z}{{P}}{Z}{{T}}, indicating a strong influence of Coulomb effect in the incomplete fusion reactions.

On the theory and simulation of multiple Coulomb scattering of heavy-charged particles.

PubMed

Striganov, S I

2005-01-01

The Moliere theory of multiple Coulomb scattering is modified to take into account the difference between processes of scattering off atomic nuclei and electrons. A simple analytical expression for angular distribution of charged particles passing through a thick absorber is found. It does not assume any special form for a differential scattering cross section and has a wider range of applicability than a gaussian approximation. A well-known method to simulate multiple Coulomb scatterings is based on treating 'soft' and 'hard' collisions differently. An angular deflection in a large number of 'soft' collisions is sampled using the proposed distribution function, a small number of 'hard' collision are simulated directly. A boundary between 'hard' and 'soft' collisions is defined, providing a precise sampling of a scattering angle (1% level) and a small number of 'hard' collisions. A corresponding simulating module takes into account projectile and nucleus charged distributions and exact kinematics of a projectile-electron interaction.

Size dependence in tunneling spectra of PbSe quantum-dot arrays.

PubMed

Ou, Y C; Cheng, S F; Jian, W B

2009-07-15

Interdot Coulomb interactions and collective Coulomb blockade were theoretically argued to be a newly important topic, and experimentally identified in semiconductor quantum dots, formed in the gate confined two-dimensional electron gas system. Developments of cluster science and colloidal synthesis accelerated the studies of electron transport in colloidal nanocrystal or quantum-dot solids. To study the interdot coupling, various sizes of two-dimensional arrays of colloidal PbSe quantum dots are self-assembled on flat gold surfaces for scanning tunneling microscopy and scanning tunneling spectroscopy measurements at both room and liquid-nitrogen temperatures. The tip-to-array, array-to-substrate, and interdot capacitances are evaluated and the tunneling spectra of quantum-dot arrays are analyzed by the theory of collective Coulomb blockade. The current-voltage of PbSe quantum-dot arrays conforms properly to a scaling power law function. In this study, the dependence of tunneling spectra on the sizes (numbers of quantum dots) of arrays is reported and the capacitive coupling between quantum dots in the arrays is explored.

Gravity-driven groundwater flow and slope failure potential: 1. Elastic effective-stress model

USGS Publications Warehouse

Iverson, Richard M.; Reid, Mark E.

1992-01-01

Hilly or mountainous topography influences gravity-driven groundwater flow and the consequent distribution of effective stress in shallow subsurface environments. Effective stress, in turn, influences the potential for slope failure. To evaluate these influences, we formulate a two-dimensional, steady state, poroelastic model. The governing equations incorporate groundwater effects as body forces, and they demonstrate that spatially uniform pore pressure changes do not influence effective stresses. We implement the model using two finite element codes. As an illustrative case, we calculate the groundwater flow field, total body force field, and effective stress field in a straight, homogeneous hillslope. The total body force and effective stress fields show that groundwater flow can influence shear stresses as well as effective normal stresses. In most parts of the hillslope, groundwater flow significantly increases the Coulomb failure potential Φ, which we define as the ratio of maximum shear stress to mean effective normal stress. Groundwater flow also shifts the locus of greatest failure potential toward the slope toe. However, the effects of groundwater flow on failure potential are less pronounced than might be anticipated on the basis of a simpler, one-dimensional, limit equilibrium analysis. This is a consequence of continuity, compatibility, and boundary constraints on the two-dimensional flow and stress fields, and it points to important differences between our elastic continuum model and limit equilibrium models commonly used to assess slope stability.

Premonitory slip and tidal triggering of earthquakes

USGS Publications Warehouse

Lockner, D.A.; Beeler, N.M.

1999-01-01

We have conducted a series of laboratory simulations of earthquakes using granite cylinders containing precut bare fault surfaces at 50 MPa confining pressure. Axial shortening rates between 10-4 and 10-6 mm/s were imposed to simulate tectonic loading. Average loading rate was then modulated by the addition of a small-amplitude sine wave to simulate periodic loading due to Earth tides or other sources. The period of the modulating signal ranged from 10 to 10,000 s. For each combination of amplitude and period of the modulating signal, multiple stick-slip events were recorded to determine the degree of correlation between the timing of simulated earthquakes and the imposed periodic loading function. Over the range of parameters studied, the degree of correlation of earthquakes was most sensitive to the amplitude of the periodic loading, with weaker dependence on the period of oscillations and the average loading rate. Accelerating premonitory slip was observed in these experiments and is a controlling factor in determining the conditions under which correlated events occur. In fact, some form of delayed failure is necessary to produce the observed correlations between simulated earthquake timing and characteristics of the periodic loading function. The transition from strongly correlated to weakly correlated model earthquake populations occurred when the amplitude of the periodic loading was approximately 0.05 to 0.1 MPa shear stress (0.03 to 0.06 MPa Coulomb failure function). Lower-amplitude oscillations produced progressively lower correlation levels. Correlations between static stress increases and earthquake aftershocks are found to degrade at similar stress levels. Typical stress variations due to Earth tides are only 0.001 to 0.004 MPa, so that the lack of correlation between Earth tides and earthquakes is also consistent with our findings. A simple extrapolation of our results suggests that approximately 1% of midcrustal earthquakes should be correlated with Earth tides. Triggered seismicity has been reported resulting from the passage of surface waves excited by the Landers earthquake. These transient waves had measured amplitudes in excess of 0.1 MPa at frequencies of 0.05 to 0.2 Hz in regions of notable seismicity increase. Similar stress oscillations in our laboratory experiments produced strongly correlated stick-slip events. We suggest that seemingly inconsistent natural observations of triggered seismicity and absence of tidal triggering indicate that failure is amplitude and frequency dependent. This is the expected result if, as in our laboratory experiments, the rheology of the Earth's crust permits delayed failure.

Extrapolation of scattering data to the negative-energy region. II. Applicability of effective range functions within an exactly solvable model

DOE PAGES

Blokhintsev, L. D.; Kadyrov, A. S.; Mukhamedzhanov, A. M.; ...

2018-02-05

A problem of analytical continuation of scattering data to the negative-energy region to obtain information about bound states is discussed within an exactly solvable potential model. This work is continuation of the previous one by the same authors [L. D. Blokhintsev et al., Phys. Rev. C 95, 044618 (2017)]. The goal of this paper is to determine the most effective way of analytic continuation for different systems. The d + α and α + 12C systems are considered and, for comparison, an effective-range function approach and a recently suggested Δ method [O. L. Ramírez Suárez and J.-M. Sparenberg, Phys. Rev.more » C 96, 034601 (2017).] are applied. We conclude that the method is more effective for heavier systems with large values of the Coulomb parameter, whereas for light systems with small values of the Coulomb parameter the effective-range function method might be preferable.« less

Extrapolation of scattering data to the negative-energy region. II. Applicability of effective range functions within an exactly solvable model

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

Blokhintsev, L. D.; Kadyrov, A. S.; Mukhamedzhanov, A. M.

A problem of analytical continuation of scattering data to the negative-energy region to obtain information about bound states is discussed within an exactly solvable potential model. This work is continuation of the previous one by the same authors [L. D. Blokhintsev et al., Phys. Rev. C 95, 044618 (2017)]. The goal of this paper is to determine the most effective way of analytic continuation for different systems. The d + α and α + 12C systems are considered and, for comparison, an effective-range function approach and a recently suggested Δ method [O. L. Ramírez Suárez and J.-M. Sparenberg, Phys. Rev.more » C 96, 034601 (2017).] are applied. We conclude that the method is more effective for heavier systems with large values of the Coulomb parameter, whereas for light systems with small values of the Coulomb parameter the effective-range function method might be preferable.« less

Microscopic theoretical study of frequency dependent dielectric constant of heavy fermion systems

NASA Astrophysics Data System (ADS)

Shadangi, Keshab Chandra; Rout, G. C.

2017-05-01

The dielectric polarization and the dielectric constant plays a vital role in the deciding the properties of the Heavy Fermion Systems. In the present communication we consider the periodic Anderson's Model which consists of conduction electron kinetic energy, localized f-electron kinetic energy and the hybridization between the conduction and localized electrons, besides the Coulomb correlation energy. We calculate dielectric polarization which involves two particle Green's functions which are calculated by using Zubarev's Green's function technique. Using the equations of motion of the fermion electron operators. Finally, the temperature and frequency dependent dielectric constant is calculated from the dielectric polarization function. The charge susceptibility and dielectric constant are computed numerically for different physical parameters like the position (Ef) of the f-electron level with respect to fermi level, the strength of the hybridization (V) between the conduction and localized f-electrons, Coulomb correlation potential temperature and optical phonon wave vector (q). The results will be discussed in a reference to the experimental observations of the dielectric constants.

Coulomb stress change of crustal faults in Japan for 21 years, estimated from GNSS displacement

NASA Astrophysics Data System (ADS)

Nishimura, T.

2017-12-01

Coulomb stress is one of the simplest index to show how the fault is close to a brittle failure (e.g., earthquake). Many previous studies used the Coulomb stress change (ΔCFS) to evaluate whether the fault approaches failure and successfully explained an earthquake triggered by previous earthquakes and volcanic sources. Most studies use a model of a half-space medium with given rheological properties, boundary conditions, dislocation, etc. to calculate ΔCFS. However, Ueda and Takahashi (2005) proposed to calculate DCFS directly from surface displacement observed by GNSS. There are 6 independent components of stress tensor in an isotropic elastic medium. On the surface of the half-space medium, 3 components should be zero because of no traction on the surface. This means the stress change on the surface is calculated from the surface strain change using Hooke's law. Although an earthquake does not occur on surface, the stress change on the surface may approximate that at a depth of a shallow crustal earthquake (e.g., 10 km) if the source is far from the point at which we calculate the stress change. We tested it by comparing ΔCFS from the surface displacement and that from elastic fault models for past earthquakes. We first estimate a strain change with a method of Shen et al.(1996 JGR) from surface displacement and then calculate ΔCFS for a targeted focal mechanism. Although ΔCFS in the vicinity of the source fault cannot be reproduced from the surface displacement, surface displacement gives a good approximation of ΔCFS in a region 50 km away from the source if the target mechanism is a vertical strike-slip fault. It suggests that GNSS observation can give useful information on a recent change of earthquake potential. We, therefore, calculate the temporal evolution of ΔCFS on active faults in southwest Japan from April 1996 using surface displacement at GNSS stations. We used parameters for the active faults used for evaluation of strong motion by the Earthquake Research Committee. When we use 0.4 for an effective frictional coefficient, ΔCFS increased at most active faults in the Kyushu region by up to 50 KPa for 21 years. On the other hand, ΔCFS did not always increase at active faults in the Kinki region.

Lessons from (triggered) tremor

USGS Publications Warehouse

Gomberg, Joan

2010-01-01

I test a “clock-advance” model that implies triggered tremor is ambient tremor that occurs at a sped-up rate as a result of loading from passing seismic waves. This proposed model predicts that triggering probability is proportional to the product of the ambient tremor rate and a function describing the efficacy of the triggering wave to initiate a tremor event. Using data mostly from Cascadia, I have compared qualitatively a suite of teleseismic waves that did and did not trigger tremor with ambient tremor rates. Many of the observations are consistent with the model if the efficacy of the triggering wave depends on wave amplitude. One triggered tremor observation clearly violates the clock-advance model. The model prediction that larger triggering waves result in larger triggered tremor signals also appears inconsistent with the measurements. I conclude that the tremor source process is a more complex system than that described by the clock-advance model predictions tested. Results of this and previous studies also demonstrate that (1) conditions suitable for tremor generation exist in many tectonic environments, but, within each, only occur at particular spots whose locations change with time; (2) any fluid flow must be restricted to less than a meter; (3) the degree to which delayed failure and secondary triggering occurs is likely insignificant; and 4) both shear and dilatational deformations may trigger tremor. Triggered and ambient tremor rates correlate more strongly with stress than stressing rate, suggesting tremor sources result from time-dependent weakening processes rather than simple Coulomb failure.

Analytical formulation of orbiter-payload models coupled by trunnion joints with Coulomb friction

NASA Technical Reports Server (NTRS)

Liu, Frank C.

1987-01-01

An orbiter and its payload substructure are linked together by five trunnion joints which have thirty degrees-of-freedom. Geometric compatibility conditions require fourteen of the interface physical coordinates of the orbiter and payload to be equal to each other and the remaining sixteen are free to have relative motions under Coulomb friction. The component modes synthesis method using fourteen inertia relief attachment modes for the formulation of the coupled system is presented. The exact nonlinear friction function is derived based on the characteristics of the joints. Formulation is applicable to an orbiter that carries any number of payload substructures.

Analytical formulation of orbiter-payload coupled by trunnion joints with Coulomb friction

NASA Technical Reports Server (NTRS)

Liu, Frank C.

1986-01-01

An orbiter and its payload substructure are linked together by five trunnion joints which have thirty degrees-of-freedom. Geometric compatibility conditions require fourteen of the interface physical coordinates of the orbiter and payload to be equal to each other and the remaining sixteen are free to have relative motions under Coulomb friction. The component modes synthesis method using fourteen inertia relief attachment modes for the formulation of the coupled system is presented. The exact nonlinear friction function is derived based on the characteristics of the joints. Formulation is applicable to an orbiter that carries any number of payload substructures.

Alternative Form of the Hydrogenic Wave Functions for an Extended, Uniformly Charged Nucleus.

ERIC Educational Resources Information Center

Ley-Koo, E.; And Others

1980-01-01

Presented are forms of harmonic oscillator attraction and Coulomb wave functions which can be explicitly constructed and which lead to numerical results for the energy eigenvalues and eigenfunctions of the atomic system. The Schrodinger equation and its solution and specific cases of muonic atoms illustrating numerical calculations are included.…

ADHM and the 4d quantum Hall effect

NASA Astrophysics Data System (ADS)

Barns-Graham, Alec; Dorey, Nick; Lohitsiri, Nakarin; Tong, David; Turner, Carl

2018-04-01

Yang-Mills instantons are solitonic particles in d = 4 + 1 dimensional gauge theories. We construct and analyse the quantum Hall states that arise when these particles are restricted to the lowest Landau level. We describe the ground state wavefunctions for both Abelian and non-Abelian quantum Hall states. Although our model is purely bosonic, we show that the excitations of this 4d quantum Hall state are governed by the Nekrasov partition function of a certain five dimensional supersymmetric gauge theory with Chern-Simons term. The partition function can also be interpreted as a variant of the Hilbert series of the instanton moduli space, counting holomorphic sections rather than holomorphic functions. It is known that the Hilbert series of the instanton moduli space can be rewritten using mirror symmetry of 3d gauge theories in terms of Coulomb branch variables. We generalise this approach to include the effect of a five dimensional Chern-Simons term. We demonstrate that the resulting Coulomb branch formula coincides with the corresponding Higgs branch Molien integral which, in turn, reproduces the standard formula for the Nekrasov partition function.

AC-DCFS: a toolchain implementation to Automatically Compute Coulomb Failure Stress changes after relevant earthquakes.

NASA Astrophysics Data System (ADS)

Alvarez-Gómez, José A.; García-Mayordomo, Julián

2017-04-01

We present an automated free software-based toolchain to obtain Coulomb Failure Stress change maps on fault planes of interest following the occurrence of a relevant earthquake. The system uses as input the focal mechanism data of the event occurred and an active fault database for the region. From the focal mechanism the orientations of the possible rupture planes, the location of the event and the size of the earthquake are obtained. From the size of the earthquake, the dimensions of the rupture plane are obtained by means of an algorithm based on empirical relations. Using the active fault database in the area, the stress-receiving planes are obtained and a verisimilitude index is assigned to the source plane from the two nodal planes of the focal mechanism. The obtained product is a series of layers in a format compatible with any type of GIS (or map completely edited in PDF format) showing the possible stress change maps on the different families of fault planes present in the epicentral zone. These type of products are presented generally in technical reports developed in the weeks following the occurrence of the event, or in scientific publications; however they have been proven useful for emergency management in the hours and days after a major event being these stress changes responsible of aftershocks, in addition to the mid-term earthquake forecasting. The automation of the calculation allows its incorporation within the products generated by the alert and surveillance agencies shortly after the earthquake occurred. It is now being implemented in the Spanish Geological Survey as one of the products that this agency would provides after the occurrence of relevant seismic series in Spain.

Study on the stress changes due to the regional groundwater exploitation based on a 3-D fully coupled poroelastic model: An example of the North China Plain

NASA Astrophysics Data System (ADS)

Cheng, H.; Zhang, H.; Pang, Y. J.; Shi, Y.

2017-12-01

With the quick urban development, over-exploitation of groundwater resources becomes more and more intense, which leads to not only widespread groundwater depression cones but also a series of harsh environmental and geological hazards. Among which, the most intuitive phenomenon is the ground subsidence in loose sediments. However, another direct consequence triggered by the groundwater depletion is the substantial crustal deformation and potential modulation of crustal stress underneath the groundwater over-pumping zones. In our previous 3-D viscoelastic finite element model, we found that continuous over-exploitation of groundwater resources in North China Plain during the past 60 years give rise to crustal-scale uplift reaching 4.9cm, with the Coulomb failure stress decreasing by up to 12 kPa, which may inhibit the nucleation of possible big earthquake events. Furthermore, according to the effective pressure principle and lab experiments, the pore pressure may also have changed due to the reduced water level. In order to quantitatively analyze the stress changes due to the regional groundwater exploitation in North China Plain, a three-dimensional fully coupled poroelastic finite element model is developed in this study. The high resolution topography, grounwater level fluctuation, fault parameters and etc, are taken into consideration. Further, the changes of Coulomb Failure Stress, in correspondence to elastic stress and pore pressure changes induced by fluid diffusion are calculated. Meanwhile, the elastic strain energy accumulation in region due to the regional groundwater exploitation is obtained. Finally, we try to analyze the seismic risk of major faults within North China Plain to further discuss the regional seismic activities.

Probabilistic seismic hazard in the San Francisco Bay area based on a simplified viscoelastic cycle model of fault interactions

USGS Publications Warehouse

Pollitz, F.F.; Schwartz, D.P.

2008-01-01

We construct a viscoelastic cycle model of plate boundary deformation that includes the effect of time-dependent interseismic strain accumulation, coseismic strain release, and viscoelastic relaxation of the substrate beneath the seismogenic crust. For a given fault system, time-averaged stress changes at any point (not on a fault) are constrained to zero; that is, kinematic consistency is enforced for the fault system. The dates of last rupture, mean recurrence times, and the slip distributions of the (assumed) repeating ruptures are key inputs into the viscoelastic cycle model. This simple formulation allows construction of stress evolution at all points in the plate boundary zone for purposes of probabilistic seismic hazard analysis (PSHA). Stress evolution is combined with a Coulomb failure stress threshold at representative points on the fault segments to estimate the times of their respective future ruptures. In our PSHA we consider uncertainties in a four-dimensional parameter space: the rupture peridocities, slip distributions, time of last earthquake (for prehistoric ruptures) and Coulomb failure stress thresholds. We apply this methodology to the San Francisco Bay region using a recently determined fault chronology of area faults. Assuming single-segment rupture scenarios, we find that fature rupture probabilities of area faults in the coming decades are the highest for the southern Hayward, Rodgers Creek, and northern Calaveras faults. This conclusion is qualitatively similar to that of Working Group on California Earthquake Probabilities, but the probabilities derived here are significantly higher. Given that fault rupture probabilities are highly model-dependent, no single model should be used to assess to time-dependent rupture probabilities. We suggest that several models, including the present one, be used in a comprehensive PSHA methodology, as was done by Working Group on California Earthquake Probabilities.

Investigating the relationship between seismicity and fluid injection in the Barnett Shale, Texas using coupled poroelastic model and surface deformation data

NASA Astrophysics Data System (ADS)

Zhai, G.; Shirzaei, M.

2017-12-01

Across the Barnett Shale, Texas a noticeable increase in seismic activity was observed during 2007 and 2015, which was accompanied by high volume injection at several nearby disposal wells. Many studies focused on the positive correlation between injection rate at individual wells and the adjacent seismicity, suggesting that seismicity is triggered or induced due to increased pore fluid pressure associated with fluid injection in hydraulically connected geological units. However, investigating temporal evolution of total volume of injected fluid and concurrent earthquakes in a larger area indicates more complex patterns, requiring a more comprehensive analysis of the spatiotemporal evolution of coupled poroelastic stress and pore fluid pressure. In this study, we created a coupled poroelastic model to simulate large scale spatiotemporal evolution of pore pressure, poroelastic stresses, and Coulomb failure stress in the Barnett Shale using injection time series of 96 high-volume injection wells spanning from 2007 to 2015. We additionally account for a layered poroelastic medium, where its parameters are set up using geological maps and seismic tomographic data sets. Fault orientations and relevant frictional properties are also extracted from published literatures. We further integrate observation of surface deformation obtained from interferometric processing of 16 ALOS L-Band SAR images to optimize rock hydraulic diffusivity and constrain the extent to which fluid may migrate. The preliminary modeling result shows that poroelastic stress is only 10% of pore pressure. However, the superimposition of these two effects is spatially and temporally responsible for the occurrence of earthquakes in the Barnett Shale. Also, not all area with increased Coulomb failure stress experiences elevated seismicity, suggesting possible heterogeneous background tectonic stresses, lacking pre-existing faults, and/or heterogeneous fault orientations.

Coulomb Problem for Z > Zcr in Doped Graphene

NASA Astrophysics Data System (ADS)

Kuleshov, V. M.; Mur, V. D.; Fedotov, A. M.; Lozovik, Yu. E.

2017-12-01

The dynamics of charge carriers in doped graphene, i.e., graphene with a gap in the energy spectrum depending on the substrate, in the presence of a Coulomb impurity with charge Z is considered within the effective two-dimensional Dirac equation. The wave functions of carriers with conserved angular momentum J = M + 1/2 are determined for a Coulomb potential modified at small distances. This case, just as any two-dimensional physical system, admits both integer and half-integer quantization of the orbital angular momentum in plane, M = 0, ±1, ±2, …. For J = 0, ±1/2, ±1, critical values of the effective charge Z cr( J, n) are calculated for which a level with angular momentum J and radial quantum numbers n = 0 and n = 1 reaches the upper boundary of the valence band. For Z < Z cr ( J, n = 0), the energy of a level is presented as a function of charge Z for the lowest values of orbital angular momentum M, the level with J = 0 being the first to descend to the band edge. For Z > Z cr ( J, n = 0), scattering phases are calculated as a function of hole energy for several values of supercriticality, as well as the positions ɛ0 and widths γ of quasistationary states as a function of supercriticality. The values of ɛ0* and width γ* are pointed out for which quasidiscrete levels may show up as Breit-Wigner resonances in the scattering of holes by a supercritical impurity. Since the phases are real, the partial scattering matrix is unitary, so that the radial Dirac equation is consistent even for Z > Z cr. In this single-particle approximation, there is no spontaneous creation of electron-hole pairs, and the impurity charge cannot be screened by this mechanism.

The Coulombic Lattice Potential of Ionic Compounds: The Cubic Perovskites.

ERIC Educational Resources Information Center

Francisco, E.; And Others

1988-01-01

Presents coulombic models representing the particles of a system by point charges interacting through Coulomb's law to explain coulombic lattice potential. Uses rubidium manganese trifluoride as an example of cubic perovskite structure. Discusses the effects on cluster properties. (CW)

Experimental study of uniaxial stress effects on Coulomb-limited mobility in p-type metal-oxide-semiconductor field-effect transistors

NASA Astrophysics Data System (ADS)

Kobayashi, Shigeki; Saitoh, Masumi; Nakabayashi, Yukio; Uchida, Ken

2007-11-01

Uniaxial stress effects on Coulomb-limited mobility (μCoulomb) in Si metal-oxide-semiconductor field-effect transistors (MOSFETs) are investigated experimentally. By using the four-point bending method, uniaxial stress corresponding to 0.1% strain is applied to MOSFETs along the channel direction. It is found that μCoulomb in p-type MOSFETs is enhanced greatly by uniaxial stress; μCoulomb is as sensitive as phonon-limited mobility. The high sensitivity of μCoulomb in p-type MOSFETs to stress arises from the stress-induced change of hole effective mass.

Investigation of electric charge on inertial particle dynamics in turbulence

NASA Astrophysics Data System (ADS)

Lu, Jiang; Shaw, Raymond

2014-11-01

The behavior of electrically charged, inertial particles in homogeneous, isotropic turbulence is investigated. Both like-charged and oppositely-charged particle interactions are considered. Direct numerical simulations (DNS) of turbulence in a periodic box using the pseudospectral numerical method are performed, with Lagrangian tracking of the particles. We study effects of mutual electrostatic repulsion and attraction on the particle dynamics, as quantified by the radial distribution function (RDF) and the radial relative velocity. For the like-charged particle case, the Coulomb force leads to a short range repulsion behavior and an RDF reminiscent of that for a dilute gas. For the oppositely-charged particle case, the Coulomb force increases the RDF beyond that already occurring for neutral inertial particles. For both cases, the relative velocities are calculated as a function of particle separation distance and show distinct deviations from the expected scaling within the dissipation range. This research was supported by NASA Grant NNX113AF90G.

Plasma-screening effects on the electron-impact excitation of hydrogenic ions in dense plasmas

NASA Technical Reports Server (NTRS)

Jung, Young-Dae

1993-01-01

Plasma-screening effects are investigated on electron-impact excitation of hydrogenic ions in dense plasmas. Scaled cross sections Z(exp 4) sigma for 1s yields 2s and 1s yields 2p are obtained for a Debye-Hueckel model of the screened Coulomb interaction. Ground and excited bound wave functions are modified in the screened Coulomb potential (Debye-Hueckel model) using the Ritz variation method. The resulting atomic wave functions and their eigenenergies agree well with the numerical and high-order perturbation theory calculations for the interesting domain of the Debye length not less than 10. The Born approximation is used to describe the continuum states of the projectile electron. Plasma screening effects on the atomic electrons cannot be neglected in the high-density cases. Including these effects, the cross sections are appreciably increased for 1s yields 2s transitions and decreased for 1s yields 2p transitions.

Nonlocal Coulomb correlations in pure and electron-doped Sr2IrO4 : Spectral functions, Fermi surface, and pseudo-gap-like spectral weight distributions from oriented cluster dynamical mean-field theory

NASA Astrophysics Data System (ADS)

Martins, Cyril; Lenz, Benjamin; Perfetti, Luca; Brouet, Veronique; Bertran, François; Biermann, Silke

2018-03-01

We address the role of nonlocal Coulomb correlations and short-range magnetic fluctuations in the high-temperature phase of Sr2IrO4 within state-of-the-art spectroscopic and first-principles theoretical methods. Introducing an "oriented-cluster dynamical mean-field scheme", we compute momentum-resolved spectral functions, which we find to be in excellent agreement with angle-resolved photoemission spectra. We show that while short-range antiferromagnetic fluctuations are crucial to accounting for the electronic properties of Sr2IrO4 even in the high-temperature paramagnetic phase, long-range magnetic order is not a necessary ingredient of the insulating state. Upon doping, an exotic metallic state is generated, exhibiting cuprate-like pseudo-gap spectral properties, for which we propose a surprisingly simple theoretical mechanism.

Relativistic Coulomb Excitation within the Time Dependent Superfluid Local Density Approximation

NASA Astrophysics Data System (ADS)

Stetcu, I.; Bertulani, C. A.; Bulgac, A.; Magierski, P.; Roche, K. J.

2015-01-01

Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, the dipole pygmy resonance, and giant quadrupole modes are excited during the process. The one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.

Steady-State Density Functional Theory for Finite Bias Conductances.

PubMed

Stefanucci, G; Kurth, S

2015-12-09

In the framework of density functional theory, a formalism to describe electronic transport in the steady state is proposed which uses the density on the junction and the steady current as basic variables. We prove that, in a finite window around zero bias, there is a one-to-one map between the basic variables and both local potential on as well as bias across the junction. The resulting Kohn-Sham system features two exchange-correlation (xc) potentials, a local xc potential, and an xc contribution to the bias. For weakly coupled junctions the xc potentials exhibit steps in the density-current plane which are shown to be crucial to describe the Coulomb blockade diamonds. At small currents these steps emerge as the equilibrium xc discontinuity bifurcates. The formalism is applied to a model benzene junction, finding perfect agreement with the orthodox theory of Coulomb blockade.

Relativistic Coulomb excitation within the time dependent superfluid local density approximation

DOE PAGES

Stetcu, I.; Bertulani, C. A.; Bulgac, A.; ...

2015-01-06

Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, themore » dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.« less

DFMSPH14: A C-code for the double folding interaction potential of two spherical nuclei

NASA Astrophysics Data System (ADS)

Gontchar, I. I.; Chushnyakova, M. V.

2016-09-01

This is a new version of the DFMSPH code designed to obtain the nucleus-nucleus potential by using the double folding model (DFM) and in particular to find the Coulomb barrier. The new version uses the charge, proton, and neutron density distributions provided by the user. Also we added an option for fitting the DFM potential by the Gross-Kalinowski profile. The main functionalities of the original code (e.g. the nucleus-nucleus potential as a function of the distance between the centers of mass of colliding nuclei, the Coulomb barrier characteristics, etc.) have not been modified. Catalog identifier: AEFH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland. Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 7211 No. of bytes in distributed program, including test data, etc.: 114404 Distribution format: tar.gz Programming language: C Computer: PC and Mac Operation system: Windows XP and higher, MacOS, Unix/Linux Memory required to execute with typical data: below 10 Mbyte Classification: 17.9 Catalog identifier of previous version: AEFH_v1_0 Journal reference of previous version: Comp. Phys. Comm. 181 (2010) 168 Does the new version supersede the previous version?: Yes Nature of physical problem: The code calculates in a semimicroscopic way the bare interaction potential between two colliding spherical nuclei as a function of the center of mass distance. The height and the position of the Coulomb barrier are found. The calculated potential is approximated by an analytical profile (Woods-Saxon or Gross-Kalinowski) near the barrier. Dependence of the barrier parameters upon the characteristics of the effective NN forces (like, e.g. the range of the exchange part of the nuclear term) can be investigated. Method of solution: The nucleus-nucleus potential is calculated using the double folding model with the Coulomb and the effective M3Y NN interactions. For the direct parts of the Coulomb and the nuclear terms, the Fourier transform method is used. In order to calculate the exchange parts, the density matrix expansion method is applied. Typical running time: less than 1 minute. Reason for new version: Many users asked us how to implement their own density distributions in the DFMSPH. Now this option has been added. Also we found that the calculated Double-Folding Potential (DFP) is approximated more accurately by the Gross-Kalinowski (GK) profile. This option has been also added.

Hall viscosity of hierarchical quantum Hall states

NASA Astrophysics Data System (ADS)

Fremling, M.; Hansson, T. H.; Suorsa, J.

2014-03-01

Using methods based on conformal field theory, we construct model wave functions on a torus with arbitrary flat metric for all chiral states in the abelian quantum Hall hierarchy. These functions have no variational parameters, and they transform under the modular group in the same way as the multicomponent generalizations of the Laughlin wave functions. Assuming the absence of Berry phases upon adiabatic variations of the modular parameter τ, we calculate the quantum Hall viscosity and find it to be in agreement with the formula, given by Read, which relates the viscosity to the average orbital spin of the electrons. For the filling factor ν =2/5 Jain state, which is at the second level in the hierarchy, we compare our model wave function with the numerically obtained ground state of the Coulomb interaction Hamiltonian in the lowest Landau level, and find very good agreement in a large region of the complex τ plane. For the same example, we also numerically compute the Hall viscosity and find good agreement with the analytical result for both the model wave function and the numerically obtained Coulomb wave function. We argue that this supports the notion of a generalized plasma analogy that would ensure that wave functions obtained using the conformal field theory methods do not acquire Berry phases upon adiabatic evolution.

Comparing the stress change characteristics and aftershock decay rate of the 2011 Mineral, VA, earthquake with similar earthquakes from a variety of tectonic settings

NASA Astrophysics Data System (ADS)

Walsh, L. S.; Montesi, L. G.; Sauber, J. M.; Watters, T. R.; Kim, W.; Martin, A. J.; Anderson, R.

2011-12-01

On August 23, 2011, the magnitude 5.8 Mineral, VA, earthquake rocked the U.S. national capital region (Washington, DC) drawing worldwide attention to the occurrence of intraplate earthquakes. Using regional Coulomb stress change, we evaluate to what extent slip on faults during the Mineral, VA, earthquake and its aftershocks may have increased stress on notable Cenozoic fault systems in the DC metropolitan area: the central Virginia seismic zone, the DC fault zone, and the Stafford fault system. Our Coulomb stress maps indicate that the transfer of stress from the Mineral, VA, mainshock was at least 500 times greater than that produced from the magnitude 3.4 Germantown, MD, earthquake that occurred northwest of DC on July 16, 2010. Overall, the Mineral, VA, earthquake appears to have loaded faults of optimum orientation in the DC metropolitan region, bringing them closer to failure. The distribution of aftershocks of the Mineral, VA, earthquake will be compared with Coulomb stress change maps. We further characterize the Mineral, VA, earthquake by comparing its aftershock decay rate with that of blind thrust earthquakes with similar magnitude, focal mechanism, and depth from a variety of tectonic settings. In particular, we compare aftershock decay relations of the Mineral, VA, earthquake with two well studied California reverse faulting events, the August 4, 1985 Kettleman Hills (Mw = 6.1) and October 1, 1987 Whittier Narrow (Mw = 5.9) earthquakes. Through these relations we test the hypothesis that aftershock duration is inversely proportional to fault stressing rate, suggesting that aftershocks in active tectonic margins may last only a few years while aftershocks in intraplate regions could endure for decades to a century.

Three-Dimensional Dynamic Rupture in Brittle Solids and the Volumetric Strain Criterion

NASA Astrophysics Data System (ADS)

Uenishi, K.; Yamachi, H.

2017-12-01

As pointed out by Uenishi (2016 AGU Fall Meeting), source dynamics of ordinary earthquakes is often studied in the framework of 3D rupture in brittle solids but our knowledge of mechanics of actual 3D rupture is limited. Typically, criteria derived from 1D frictional observations of sliding materials or post-failure behavior of solids are applied in seismic simulations, and although mode-I cracks are frequently encountered in earthquake-induced ground failures, rupture in tension is in most cases ignored. Even when it is included in analyses, the classical maximum principal tensile stress rupture criterion is repeatedly used. Our recent basic experiments of dynamic rupture of spherical or cylindrical monolithic brittle solids by applying high-voltage electric discharge impulses or impact loads have indicated generation of surprisingly simple and often flat rupture surfaces in 3D specimens even without the initial existence of planes of weakness. However, at the same time, the snapshots taken by a high-speed digital video camera have shown rather complicated histories of rupture development in these 3D solid materials, which seem to be difficult to be explained by, for example, the maximum principal stress criterion. Instead, a (tensile) volumetric strain criterion where the volumetric strain (dilatation or the first invariant of the strain tensor) is a decisive parameter for rupture seems more effective in computationally reproducing the multi-directionally propagating waves and rupture. In this study, we try to show the connection between this volumetric strain criterion and other classical rupture criteria or physical parameters employed in continuum mechanics, and indicate that the criterion has, to some degree, physical meanings. First, we mathematically illustrate that the criterion is equivalent to a criterion based on the mean normal stress, a crucial parameter in plasticity. Then, we mention the relation between the volumetric strain criterion and the failure envelope of the Mohr-Coulomb criterion that describes shear-related rupture. The critical value of the volumetric strain for rupture may be controlled by the apparent cohesion and apparent angle of internal friction of the Mohr-Coulomb criterion.

Unified approach to probing Coulomb effects in tunnel ionization for any ellipticity of laser light.

PubMed

Landsman, A S; Hofmann, C; Pfeiffer, A N; Cirelli, C; Keller, U

2013-12-27

We present experimental data that show significant deviations from theoretical predictions for the location of the center of the electron momenta distribution at low values of ellipticity ε of laser light. We show that these deviations are caused by significant Coulomb focusing along the minor axis of polarization, something that is normally neglected in the analysis of electron dynamics, even in cases where the Coulomb correction is otherwise taken into account. By investigating ellipticity-resolved electron momenta distributions in the plane of polarization, we show that Coulomb focusing predominates at lower values of ellipticity of laser light, while Coulomb asymmetry becomes important at higher values, showing that these two complementary phenomena can be used to probe long-range Coulomb interaction at all polarizations of laser light. Our results suggest that both the breakdown of Coulomb focusing and the onset of Coulomb asymmetry are linked to the disappearance of Rydberg states with increasing ellipticity.

Why Clothes Don't Fall Apart: Tension Transmission in Staple Yarns

NASA Astrophysics Data System (ADS)

Warren, Patrick B.; Ball, Robin C.; Goldstein, Raymond E.

2018-04-01

The problem of how staple yarns transmit tension is addressed within abstract models in which the Amontons-Coulomb friction laws yield a linear programing (LP) problem for the tensions in the fiber elements. We find there is a percolation transition such that above the percolation threshold the transmitted tension is in principle unbounded. We determine that the mean slack in the LP constraints is a suitable order parameter to characterize this supercritical state. We argue the mechanism is generic, and in practical terms, it corresponds to a switch from a ductile to a brittle failure mode accompanied by a significant increase in mechanical strength.

Coulomb gap triptych in a periodic array of metal nanocrystals.

PubMed

Chen, Tianran; Skinner, Brian; Shklovskii, B I

2012-09-21

The Coulomb gap in the single-particle density of states (DOS) is a universal consequence of electron-electron interaction in disordered systems with localized electron states. Here we show that in arrays of monodisperse metallic nanocrystals, there is not one but three identical adjacent Coulomb gaps, which together form a structure that we call a "Coulomb gap triptych." We calculate the DOS and the conductivity in two- and three-dimensional arrays using a computer simulation. Unlike in the conventional Coulomb glass models, in nanocrystal arrays the DOS has a fixed width in the limit of large disorder. The Coulomb gap triptych can be studied via tunneling experiments.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

NASA Astrophysics Data System (ADS)

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2006-11-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n =64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

PubMed Central

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2007-01-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15 kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n=64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs. PMID:17115732

Coulomb energy differences in isobaric multiplets

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

Lenzi, S. M.; Farnea, E.; Bazzacco, D.

2007-02-12

By comparing the excitation energies of analogue states in isobaric multiplets, several nuclear structure properties can be studied as a function of the angular momentum up to high spin states. In particular, the mirror nuclei 35Ar and 35Cl show large differences between the excitation energies of analogue negative-parity states at high spin, confirming the important contribution of the relativistic electromagnetic spin-orbit interaction to the Coulomb energy. The single-particle character of the configuration of these states is reproduced with very good accuracy by shell model calculations in the sd and pf shells valence space. In addition, evidence of isospin mixing ismore » deduced from the El transitions linking positive and negative parity states.« less

The effect of hydrogen content on ballistic transport behaviors in the Ni-Nb-Zr-H glassy alloys.

PubMed

Fukuhara, Mikio; Umemori, Yoshimasa

2012-01-01

The electronic transport behaviors of (Ni(0.39)Nb(0.25)Zr(0.35))(100-) (x)H(x) (0 ≤ x < 23.5) glassy alloys with subnanostructural icosahedral Zr(5)Nb(5)Ni(3) clusters have been studied as a function of hydrogen content. These alloys show semiconducting, electric current-induced voltage (Coulomb) oscillation and ballistic transport behaviors. Coulomb oscillation and ballistic transport occur at hydrogen contents between 6.7 and 13.5 at% and between 13.5 and 21.2 at%, respectively. These results suggest that the localization effect of hydrogen in the clusters plays an important role in various electron transport phenomena.

Scaling behaviour of Fisher and Shannon entropies for the exponential-cosine screened coulomb potential

NASA Astrophysics Data System (ADS)

Abdelmonem, M. S.; Abdel-Hady, Afaf; Nasser, I.

2017-07-01

The scaling laws are given for the entropies in the information theory, including the Shannon's entropy, its power, the Fisher's information and the Fisher-Shannon product, using the exponential-cosine screened Coulomb potential. The scaling laws are specified, in the r-space, as a function of |μ - μc, nℓ|, where μ is the screening parameter and μc, nℓ its critical value for the specific quantum numbers n and ℓ. Scaling laws for other physical quantities, such as energy eigenvalues, the moments, static polarisability, transition probabilities, etc. are also given. Some of these are reported for the first time. The outcome is compared with the available literatures' results.

Triple differential cross sections of magnesium in doubly symmetric geometry

NASA Astrophysics Data System (ADS)

S, Y. Sun; X, Y. Miao; Xiang-Fu, Jia

2016-01-01

A dynamically screened three-Coulomb-wave (DS3C) method is applied to study the single ionization of magnesium by electron impact. Triple differential cross sections (TDCS) are calculated in doubly symmetric geometry at incident energies of 13.65, 17.65, 22.65, 27.65, 37.65, 47.65, 57.65, and 67.65 eV. Comparisons are made with experimental data and theoretical predictions from a three-Coulomb-wave function (3C) approach and distorted-wave Born approximation (DWBA). The overall agreement between the predictions of the DS3C model and the DWBA approach with the experimental data is satisfactory. Project supported by the National Natural Science Foundation of China (Grant No. 11274215).

The Effect of Hydrogen Content on Ballistic Transport Behaviors in the Ni-Nb-Zr-H Glassy Alloys

PubMed Central

Fukuhara, Mikio; Umemori, Yoshimasa

2012-01-01

The electronic transport behaviors of (Ni0.39Nb0.25Zr0.35)100−xHx (0 ≤ x < 23.5) glassy alloys with subnanostructural icosahedral Zr5Nb5Ni3 clusters have been studied as a function of hydrogen content. These alloys show semiconducting, electric current-induced voltage (Coulomb) oscillation and ballistic transport behaviors. Coulomb oscillation and ballistic transport occur at hydrogen contents between 6.7 and 13.5 at% and between 13.5 and 21.2 at%, respectively. These results suggest that the localization effect of hydrogen in the clusters plays an important role in various electron transport phenomena. PMID:22312246

Thermoelectric effect in an Aharonov-Bohm ring with an embedded quantum dot.

PubMed

Zheng, Jun; Chi, Feng; Lu, Xiao-Dong; Zhang, Kai-Cheng

2012-02-28

Thermoelectric effect is studied in an Aharonov-Bohm interferometer with an embedded quantum dot (QD) in the Coulomb blockade regime. The electrical conductance, electron thermal conductance, thermopower, and thermoelectric figure-of-merit are calculated by using the Keldysh Green's function method. It is found that the figure-of-merit ZT of the QD ring may be quite high due to the Fano effect originated from the quantum interference effect. Moreover, the thermoelectric efficiency is sensitive to the magnitude of the dot-lead and inter-lead coupling strengthes. The effect of intradot Coulomb repulsion on ZT is significant in the weak-coupling regime, and then large ZT values can be obtained at rather high temperature.

Internal Progressive Failure in Deep-Seated Landslides

NASA Astrophysics Data System (ADS)

Yerro, Alba; Pinyol, Núria M.; Alonso, Eduardo E.

2016-06-01

Except for simple sliding motions, the stability of a slope does not depend only on the resistance of the basal failure surface. It is affected by the internal distortion of the moving mass, which plays an important role on the stability and post-failure behaviour of a landslide. The paper examines the stability conditions and the post-failure behaviour of a compound landslide whose geometry is inspired by one of the representative cross-sections of Vajont landslide. The brittleness of the mobilized rock mass was described by a strain-softening Mohr-Coulomb model, whose parameters were derived from previous contributions. The analysis was performed by means of a MPM computer code, which is capable of modelling the whole instability procedure in a unified calculation. The gravity action has been applied to initialize the stress state. This step mobilizes part of the strength along a shearing band located just above the kink of the basal surface, leading to the formation a kinematically admissible mechanism. The overall instability is triggered by an increase of water level. The increase of pore water pressures reduces the effective stresses within the slope and it leads to a progressive failure mechanism developing along an internal shearing band which controls the stability of the compound slope. The effect of the basal shearing resistance has been analysed during the post-failure stage. If no shearing strength is considered (as predicted by a thermal pressurization analysis), the model predicts a response similar to actual observations, namely a maximum sliding velocity of 25 m/s and a run-out close to 500 m.

Cotunneling Drag Effect in Coulomb-Coupled Quantum Dots.

PubMed

Keller, A J; Lim, J S; Sánchez, David; López, Rosa; Amasha, S; Katine, J A; Shtrikman, Hadas; Goldhaber-Gordon, D

2016-08-05

In Coulomb drag, a current flowing in one conductor can induce a voltage across an adjacent conductor via the Coulomb interaction. The mechanisms yielding drag effects are not always understood, even though drag effects are sufficiently general to be seen in many low-dimensional systems. In this Letter, we observe Coulomb drag in a Coulomb-coupled double quantum dot and, through both experimental and theoretical arguments, identify cotunneling as essential to obtaining a correct qualitative understanding of the drag behavior.

Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

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

Huang, He; Luo, Li -Shi; Li, Rui

To compute the non-oscillating mutual interaction for a systems with N points, the fast multipole method (FMM) has an efficiency that scales linearly with the number of points. Specifically, for Coulomb interaction, FMM can be constructed using either the spherical harmonic functions or the totally symmetric Cartesian tensors. In this paper, we will present that the effciency of the Cartesian tensor-based FMM for the Coulomb interaction can be significantly improved by implementing the traces of the Cartesian tensors in calculation to reduce the independent elements of the n-th rank totally symmetric Cartesian tensor from (n + 1)(n + 2)=2 tomore » 2n + 1. The computation complexity for the operations in FMM are analyzed and expressed as polynomials of the highest rank of the Cartesian tensors. For most operations, the complexity is reduced by one order. Numerical examples regarding the convergence and the effciency of the new algorithm are demonstrated. As a result, a reduction of computation time up to 50% has been observed for a moderate number of points and rank of tensors.« less

Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

DOE PAGES

Huang, He; Luo, Li -Shi; Li, Rui; ...

2018-05-17

To compute the non-oscillating mutual interaction for a systems with N points, the fast multipole method (FMM) has an efficiency that scales linearly with the number of points. Specifically, for Coulomb interaction, FMM can be constructed using either the spherical harmonic functions or the totally symmetric Cartesian tensors. In this paper, we will present that the effciency of the Cartesian tensor-based FMM for the Coulomb interaction can be significantly improved by implementing the traces of the Cartesian tensors in calculation to reduce the independent elements of the n-th rank totally symmetric Cartesian tensor from (n + 1)(n + 2)=2 tomore » 2n + 1. The computation complexity for the operations in FMM are analyzed and expressed as polynomials of the highest rank of the Cartesian tensors. For most operations, the complexity is reduced by one order. Numerical examples regarding the convergence and the effciency of the new algorithm are demonstrated. As a result, a reduction of computation time up to 50% has been observed for a moderate number of points and rank of tensors.« less

Dynamic spin injection into a quantum well coupled to a spin-split bound state

NASA Astrophysics Data System (ADS)

Maslova, N. S.; Rozhansky, I. V.; Mantsevich, V. N.; Arseyev, P. I.; Averkiev, N. S.; Lähderanta, E.

2018-05-01

We present a theoretical analysis of dynamic spin injection due to spin-dependent tunneling between a quantum well (QW) and a bound state split in spin projection due to an exchange interaction or external magnetic field. We focus on the impact of Coulomb correlations at the bound state on spin polarization and sheet density kinetics of the charge carriers in the QW. The theoretical approach is based on kinetic equations for the electron occupation numbers taking into account high order correlation functions for the bound state electrons. It is shown that the on-site Coulomb repulsion leads to an enhanced dynamic spin polarization of the electrons in the QW and a delay in the carriers tunneling into the bound state. The interplay of these two effects leads to nontrivial dependence of the spin polarization degree, which can be probed experimentally using time-resolved photoluminescence experiments. It is demonstrated that the influence of the Coulomb interactions can be controlled by adjusting the relaxation rates. These findings open a new way of studying the Hubbard-like electron interactions experimentally.

Effect of spin-orbit and on-site Coulomb interactions on the electronic structure and lattice dynamics of uranium monocarbide

NASA Astrophysics Data System (ADS)

Wdowik, U. D.; Piekarz, P.; Legut, D.; Jagło, G.

2016-08-01

Uranium monocarbide, a potential fuel material for the generation IV reactors, is investigated within density functional theory. Its electronic, magnetic, elastic, and phonon properties are analyzed and discussed in terms of spin-orbit interaction and localized versus itinerant behavior of the 5 f electrons. The localization of the 5 f states is tuned by varying the local Coulomb repulsion interaction parameter. We demonstrate that the theoretical electronic structure, elastic constants, phonon dispersions, and their densities of states can reproduce accurately the results of x-ray photoemission and bremsstrahlung isochromat measurements as well as inelastic neutron scattering experiments only when the 5 f states experience the spin-orbit interaction and simultaneously remain partially localized. The partial localization of the 5 f electrons could be represented by a moderate value of the on-site Coulomb interaction parameter of about 2 eV. The results of the present studies indicate that both strong electron correlations and spin-orbit effects are crucial for realistic theoretical description of the ground-state properties of uranium carbide.

Nonperturbative vacuum polarization effects in two-dimensional supercritical Dirac-Coulomb system I. Vacuum charge density

NASA Astrophysics Data System (ADS)

Davydov, A.; Sveshnikov, K.; Voronina, Yu.

2018-01-01

Based on the original combination of analytical methods, computer algebra tools and numerical calculations, proposed recently in Refs. 1-3, the nonperturbative vacuum polarization effects in the 2+1D supercritical Dirac-Coulomb system with Z > Zcr,1 are explored. Both the vacuum charge density ρV P(r→) and vacuum energy ℰV P are considered. The main result of the work is that in the overcritical region ℰV P turns out to be a rapidly decreasing function ˜-ηeffZ3/R with ηeff > 0 and R being the size of the external Coulomb source. Due to a lot of details of calculation the whole work is divided into two parts I and II. In the present part I, we consider the evaluation and behavior of the vacuum density ρV P, which further is used in part II for evaluation of the vacuum energy, with emphasis on the renormalization, convergence of the partial expansion for ρV P and behavior of the integral induced charge QV P in the overcritical region.

Coulomb Impurity Potential RbCl Quantum Pseudodot Qubit

NASA Astrophysics Data System (ADS)

Ma, Xin-Jun; Qi, Bin; Xiao, Jing-Lin

2015-08-01

By employing a variational method of Pekar type, we study the eigenenergies and the corresponding eigenfunctions of the ground and the first-excited states of an electron strongly coupled to electron-LO in a RbCl quantum pseudodot (QPD) with a hydrogen-like impurity at the center. This QPD system may be used as a two-level quantum qubit. The expressions of electron's probability density versus time and the coordinates, and the oscillating period versus the Coulombic impurity potential and the polaron radius have been derived. The investigated results indicate ① that the probability density of the electron oscillates in the QPD with a certain oscillating period of , ② that due to the presence of the asymmetrical potential in the z direction of the RbCl QPD, the electron probability density shows double-peak configuration, whereas there is only one peak if the confinement is a two-dimensional symmetric structure in the xy plane of the QPD, ③ that the oscillation period is a decreasing function of the Coulombic impurity potential, whereas it is an increasing one of the polaron radius.

Subcycle dynamics of Coulomb asymmetry in strong elliptical laser fields.

PubMed

Li, Min; Liu, Yunquan; Liu, Hong; Ning, Qicheng; Fu, Libin; Liu, Jie; Deng, Yongkai; Wu, Chengyin; Peng, Liang-You; Peng, Liangyou; Gong, Qihuang

2013-07-12

We measure photoelectron angular distributions of noble gases in intense elliptically polarized laser fields, which indicate strong structure-dependent Coulomb asymmetry. Using a dedicated semiclassical model, we have disentangled the contribution of direct ionization and multiple forward scattering on Coulomb asymmetry in elliptical laser fields. Our theory quantifies the roles of the ionic potential and initial transverse momentum on Coulomb asymmetry, proving that the small lobes of asymmetry are induced by direct ionization and the strong asymmetry is induced by multiple forward scattering in the ionic potential. Both processes are distorted by the Coulomb force acting on the electrons after tunneling. Lowering the ionization potential, the relative contribution of direct ionization on Coulomb asymmetry substantially decreases and Coulomb focusing on multiple rescattering is more important. We do not observe evident initial longitudinal momentum spread at the tunnel exit according to our simulation.

Remote Love Wave Triggering of Tremor in the Nankai Subduction Zone: New Observations and Dynamic Stress Modeling

NASA Astrophysics Data System (ADS)

Enescu, B.; Chao, K.; Obara, K.; Peng, Z.; Matsuzawa, T.; Yagi, Y.

2013-12-01

The triggering of deep non-volcanic tremor (NVT) in the Nankai region, southwest Japan, by the surface waves of several large teleseismic earthquakes has been well documented (e.g., Miyazawa & Mori, 2005). These previous studies report that the Nankai NVT is primarily triggered by the passage of Rayleigh waves from the teleseismic events (e.g., Miyazawa & Brodsky, 2008). The relative lack of Love wave triggering in Nankai would be, however, an exception to the general observation that triggered tremor shows a positive correlation with the triggering potential, defined using the Coulomb failure criteria (Hill, 2012). To clarify the Nankai NVT triggering mechanism, we have systematically searched for triggered tremor due to large teleseismic events (Mw ≥ 7.5) occurred from 2001 to 2012. Our present analysis focuses on western Shikoku, where triggered NVT has been previously reported (e.g., Miyazawa & Mori, 2006). From a total of 55 teleseismic events, 18 show associated triggered NVT. Our analysis presents clear evidence of triggered NVT that correlates well with the passage of Love waves. The most outstanding example is that of the 2012 M8.6 Sumatra earthquake, a strike-slip event characterized by relatively large amplitude Love waves. The incoming surface waves from this earthquake are almost strike-parallel to the Nankai subduction zone, which corresponds to a higher Love wave triggering potential (Hill, 2012). The 2001 M7.8 Kunlun, the 2003 M8.3 Tokachi-oki, the 2004 M9.2 & 2007 M8.5 Sumatra, the 2006 M8.3 Kuril-Islands and the 2008 M7.9 Wenchuan earthquakes show as well Love-wave associated NVT triggering. In most of these cases the tremor is initiated by the incoming, faster-traveling Love waves and continues during the latter, larger-amplitude Rayleigh waves. We are also conducting dynamic stress modeling to better understand the triggering mechanism of tremor. Our approach builds up on the methods of Gonzalez-Huizar & Velasco (2011) and Obara (2012). In the case of the 2012 Sumatra earthquake, we found a high correlation between the Love waves dynamic Coulomb stress change at the tremor source and the triggered NVT, for a time period of about 400s, which starts from the first Love wave cycles. Afterwards, the tremor bursts have slightly larger amplitudes and the correlation with the surface waves becomes poor. Preliminary results indicate a shallower location for these later tremors. Our results indicate that the triggering mechanism of NVT in western Shikoku is essentially the same with the one operating (e.g., Hill, 2012) in other subduction regions around the world (e.g., Cascadia). The tremor responds to excitation by both Love and Rayleigh waves according to the Coulomb failure criterion; failure, once underway, might be controlled by other mechanisms (e.g., some form of rate-state friction), which we plan to address in future studies.

Quark matter at high density based on an extended confined isospin-density-dependent mass model

NASA Astrophysics Data System (ADS)

Qauli, A. I.; Sulaksono, A.

2016-01-01

We investigate the effect of the inclusion of relativistic Coulomb terms in a confined-isospin-density-dependent-mass (CIDDM) model of strange quark matter (SQM). We found that if we include the Coulomb term in scalar density form, the SQM equation of state (EOS) at high densities is stiffer but if we include the Coulomb term in vector density form it is softer than that of the standard CIDDM model. We also investigate systematically the role of each term of the extended CIDDM model. Compared with what was reported by Chu and Chen [Astrophys. J. 780, 135 (2014)], we found the stiffness of SQM EOS is controlled by the interplay among the oscillator harmonic, isospin asymmetry and Coulomb contributions depending on the parameter's range of these terms. We have found that the absolute stable condition of SQM and the mass of 2 M⊙ pulsars can constrain the parameter of oscillator harmonic κ1≈0.53 in the case the Coulomb term is excluded. If the Coulomb term is included, for the models with their parameters are consistent with SQM absolute stability condition, the 2.0 M⊙ constraint more prefers the maximum mass prediction of the model with the scalar Coulomb term than that of the model with the vector Coulomb term. On the contrary, the high densities EOS predicted by the model with the vector Coulomb is more compatible with the recent perturbative quantum chromodynamics result [1] than that predicted by the model with the scalar Coulomb. Furthermore, we also observed the quark composition in a very high density region depends quite sensitively on the kind of Coulomb term used.

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals.

PubMed

Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg

2017-01-21

An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local operators that depend on the position vector of one of the two Gaussian centers. These expressions are then used to derive the formula for three-index overlap integrals where two of the three Gaussians are located at the same center. The efficient evaluation of the latter is essential for local resolution-of-the-identity techniques that employ an overlap metric. We compare the performance of our integral scheme to the widely used Cartesian Gaussian-based method of Obara and Saika (OS). Non-local interaction potentials such as standard Coulomb, modified Coulomb, and Gaussian-type operators, which occur in range-separated hybrid functionals, are also included in the performance tests. The speed-up with respect to the OS scheme is up to three orders of magnitude for both integrals and their derivatives. In particular, our method is increasingly efficient for large angular momenta and highly contracted basis sets.

Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals

NASA Astrophysics Data System (ADS)

Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg

2017-01-01

An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local operators that depend on the position vector of one of the two Gaussian centers. These expressions are then used to derive the formula for three-index overlap integrals where two of the three Gaussians are located at the same center. The efficient evaluation of the latter is essential for local resolution-of-the-identity techniques that employ an overlap metric. We compare the performance of our integral scheme to the widely used Cartesian Gaussian-based method of Obara and Saika (OS). Non-local interaction potentials such as standard Coulomb, modified Coulomb, and Gaussian-type operators, which occur in range-separated hybrid functionals, are also included in the performance tests. The speed-up with respect to the OS scheme is up to three orders of magnitude for both integrals and their derivatives. In particular, our method is increasingly efficient for large angular momenta and highly contracted basis sets.

Study on residual stresses in ultrasonic torsional vibration assisted micro-milling

NASA Astrophysics Data System (ADS)

Lu, Zesheng; Hu, Haijun; Sun, Yazhou; Sun, Qing

2010-10-01

It is well known that machining induced residual stresses can seriously affect the dimensional accuracy, corrosion and wear resistance, etc., and further influence the longevity and reliability of Micro-Optical Components (MOC). In Ultrasonic Torsional Vibration Assisted Micro-milling (UTVAM), cutting parameters, vibration parameters, mill cutter parameters, the status of wear length of tool flank are the main factors which affect residual stresses. A 2D model of UTVAM was established with FE analysis software ABAQUS. Johnson-Cook's flow stress model and shear failure principle are used as the workpiece material model and failure principle, while friction between tool and workpiece uses modified Coulomb's law whose sliding friction area is combined with sticking friction. By means of FEA, the influence rules of cutting parameters, vibration parameters, mill cutter parameters, the status of wear length of tool flank on residual stresses are obtained, which provides a basis for choosing optimal process parameters and improving the longevity and reliability of MOC.

Remotely triggered microearthquakes and tremor in central California following the 2010 Mw 8.8 Chile earthquake

USGS Publications Warehouse

Peng, Zhigang; Hill, David P.; Shelly, David R.; Aiken, Chastity

2010-01-01

We examine remotely triggered microearthquakes and tectonic tremor in central California following the 2010 Mw 8.8 Chile earthquake. Several microearthquakes near the Coso Geothermal Field were apparently triggered, with the largest earthquake (Ml 3.5) occurring during the large-amplitude Love surface waves. The Chile mainshock also triggered numerous tremor bursts near the Parkfield-Cholame section of the San Andreas Fault (SAF). The locally triggered tremor bursts are partially masked at lower frequencies by the regionally triggered earthquake signals from Coso, but can be identified by applying high-pass or matched filters. Both triggered tremor along the SAF and the Ml 3.5 earthquake in Coso are consistent with frictional failure at different depths on critically-stressed faults under the Coulomb failure criteria. The triggered tremor, however, appears to be more phase-correlated with the surface waves than the triggered earthquakes, likely reflecting differences in constitutive properties between the brittle, seismogenic crust and the underlying lower crust.

Sea-level-induced seismicity and submarine landslide occurrence

USGS Publications Warehouse

Brothers, Daniel S.; Luttrell, Karen M.; Chaytor, Jason D.

2013-01-01

The temporal coincidence between rapid late Pleistocene sea-level rise and large-scale slope failures is widely documented. Nevertheless, the physical mechanisms that link these phenomena are poorly understood, particularly along nonglaciated margins. Here we investigate the causal relationships between rapid sea-level rise, flexural stress loading, and increased seismicity rates along passive margins. We find that Coulomb failure stress across fault systems of passive continental margins may have increased more than 1 MPa during rapid late Pleistocene–early Holocene sea-level rise, an amount sufficient to trigger fault reactivation and rupture. These results suggest that sea-level–modulated seismicity may have contributed to a number of poorly understood but widely observed phenomena, including (1) increased frequency of large-scale submarine landslides during rapid, late Pleistocene sea-level rise; (2) emplacement of coarse-grained mass transport deposits on deep-sea fans during the early stages of marine transgression; and (3) the unroofing and release of methane gas sequestered in continental slope sediments.

Friction of hard surfaces and its application in earthquakes and rock slope stability

NASA Astrophysics Data System (ADS)

Sinha, Nitish; Singh, Arun K.; Singh, Trilok N.

2018-05-01

In this article, we discuss the friction models for hard surfaces and their applications in earth sciences. The rate and state friction (RSF) model, which is basically modified form of the classical Amontons-Coulomb friction laws, is widely used for explaining the crustal earthquakes and the rock slope failures. Yet the RSF model has further been modified by considering the role of temperature at the sliding interface known as the rate, state and temperature friction (RSTF) model. Further, if the pore pressure is also taken into account then it is stated as the rate, state, temperature and pore pressure friction (RSTPF) model. All the RSF models predict a critical stiffness as well as a critical velocity at which sliding behavior becomes stable/unstable. The friction models are also used for predicting time of failure of the rock mass on an inclined plane. Finally, the limitation and possibilities of the proposed friction models are also highlighted.

Heterogeneous upper-bound finite element limit analysis of masonry walls out-of-plane loaded

NASA Astrophysics Data System (ADS)

Milani, G.; Zuccarello, F. A.; Olivito, R. S.; Tralli, A.

2007-11-01

A heterogeneous approach for FE upper bound limit analyses of out-of-plane loaded masonry panels is presented. Under the assumption of associated plasticity for the constituent materials, mortar joints are reduced to interfaces with a Mohr Coulomb failure criterion with tension cut-off and cap in compression, whereas for bricks both limited and unlimited strength are taken into account. At each interface, plastic dissipation can occur as a combination of out-of-plane shear, bending and torsion. In order to test the reliability of the model proposed, several examples of dry-joint panels out-of-plane loaded tested at the University of Calabria (Italy) are discussed. Numerical results are compared with experimental data for three different series of walls at different values of the in-plane compressive vertical loads applied. The comparisons show that reliable predictions of both collapse loads and failure mechanisms can be obtained by means of the numerical procedure employed.

A Coulomb-Like Off-Shell T-Matrix with the Correct Coulomb Phase Shift

NASA Astrophysics Data System (ADS)

Oryu, Shinsho; Watanabe, Takashi; Hiratsuka, Yasuhisa; Togawa, Yoshio

2017-03-01

We confirm the reliability of the well-known Coulomb renormalization method (CRM). It is found that the CRM is only available for a very-long-range screened Coulomb potential (SCP). However, such an SCP calculation in momentum space is considerably difficult because of the cancelation of significant digits. In contrast to the CRM, we propose a new method by using an on-shell equivalent SCP and the rest term. The two-potential theory with r-space is introduced, which defines fully the off-shell Coulomb amplitude.

Room-temperature Coulomb staircase in semiconducting InP nanowires modulated with light illumination.

PubMed

Yamada, Toshishige; Yamada, Hidenori; Lohn, Andrew J; Kobayashi, Nobuhiko P

2011-02-04

Detailed electron transport analysis is performed for an ensemble of conical indium phosphide nanowires bridging two hydrogenated n(+)-silicon electrodes. The current-voltage (I-V) characteristics exhibit a Coulomb staircase in the dark with a period of ∼ 1 V at room temperature. The staircase is found to disappear under light illumination. This observation can be explained by assuming the presence of a tiny Coulomb island, and its existence is possible due to the large surface depletion region created within contributing nanowires. Electrons tunnel in and out of the Coulomb island, resulting in the Coulomb staircase I-V. Applying light illumination raises the electron quasi-Fermi level and the tunneling barriers are buried, causing the Coulomb staircase to disappear.

Flow Function of Pharmaceutical Powders Is Predominantly Governed by Cohesion, Not by Friction Coefficients.

PubMed

Leung, Lap Yin; Mao, Chen; Srivastava, Ishan; Du, Ping; Yang, Chia-Yi

2017-07-01

The purpose of this study was to demonstrate that the flow function (FFc) of pharmaceutical powders, as measured by rotational shear cell, is predominantly governed by cohesion but not friction coefficients. Driven by an earlier report showing an inverse correlation between FFc and the cohesion divided by the corresponding pre-consolidation stress (Wang et al. 2016. Powder Tech. 294:105-112), we performed analysis on a large data set containing 1130 measurements from a ring shear tester and identified a near-perfect inverse correlation between the FFc and cohesion. Conversely, no correlation was found between FFc and friction angles. We also conducted theoretical analysis and estimated such correlations based on Mohr-Coulomb failure model. We discovered that the correlation between FFc and cohesion can sustain as long as the angle of internal friction at incipient flow is not significantly larger than the angle of internal friction at steady-state flow, a condition covering almost all pharmaceutical powders. The outcome of this study bears significance in pharmaceutical development. Because the cohesion value is strongly influenced by the interparticle cohesive forces, this study effectively shows that it is more efficient to improve the pharmaceutical powder flow by lowering the interparticle cohesive forces than by lowering the interparticle frictions. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Thermalization of Heavy Ions in the Solar Wind

NASA Astrophysics Data System (ADS)

Tracy, Patrick J.; Kasper, Justin C.; Zurbuchen, Thomas H.; Raines, Jim M.; Shearer, Paul; Gilbert, Jason

2015-10-01

Observations of velocity distribution functions from the Advanced Composition Explorer/Solar Wind Ion Composition Spectrometer heavy ion composition instrument are used to calculate ratios of kinetic temperature and Coulomb collisional interactions of an unprecedented 50 ion species in the solar wind. These ions cover a mass per charge range of 1-5.5 amu/e and were collected in the time range of 1998-2011. We report the first calculation of the Coulomb thermalization rate between each of the heavy ion (A > 4 amu) species present in the solar wind along with protons (H+) and alpha particles (He2+). From these rates, we find that protons are the dominant source of Coulomb collisional thermalization for heavy ions in the solar wind and use this fact to calculate a collisional age for those heavy ion populations. The heavy ion thermal properties are well organized by this collisional age, but we find that the temperature of all heavy ions does not simply approach that of protons as Coulomb collisions become more important. We show that He2+ and C6+ follow a monotonic decay toward equal temperatures with protons with increasing collisional age, but O6+ shows a noted deviation from this monotonic decay. Furthermore, we show that the deviation from monotonic decay for O6+ occurs in solar wind of all origins, as determined by its Fe/O ratio. The observed differences in heavy ion temperature behavior point toward a local heating mechanism that favors ions depending on their charge and mass.

Modelling bio-electrosynthesis in a reverse microbial fuel cell to produce acetate from CO2 and H2O.

PubMed

Kazemi, M; Biria, D; Rismani-Yazdi, H

2015-05-21

Bio-electrosynthesis is one of the significant developments in reverse microbial fuel cell technology which is potentially capable of creating organic compounds by combining CO2 with H2O. Accordingly, the main objective in the current study was to present a model of microbial electrosynthesis for producing organic compounds (acetate) based on direct conduction of electrons in biofilms. The proposed model enjoys a high degree of rigor because it can predict variations in the substrate concentration, electrical potential, current density and the thickness of the biofilm. Additionally, coulombic efficiency was investigated as a function of substrate concentration and cathode potential. For a system containing CO2 as the substrate and Sporomusa ovata as the biofilm forming microorganism, an increase in the substrate concentration at a constant potential can lead to a decrease in coulombic efficiency as well as an increase in current density and biofilm thickness. On the other hand, an increase in the surface cathodic voltage at a constant substrate concentration may result in an increase in the coulombic efficiency and a decrease in the current density. The maximum coulombic efficiency was revealed to be 75% at a substrate concentration of 0.025 mmol cm(-3) and 55% at a surface cathodic voltage of -0.3 V producing a high range of acetate production by creating an optimal state in the concentration and potential intervals. Finally, the validity of the model was verified by comparing the obtained results with related experimental findings.

High-Performance High-Loading Lithium-Sulfur Batteries by Low Temperature Atomic Layer Deposition of Aluminum Oxide on Nanophase S Cathodes

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

Meng, Xiangbo; Liu, Yuzi; Cao, Yanqiang

2017-05-18

This study examines the effects of nanophase S and surface coatings via atomic layer deposition (ALD) on high-loading sulfur cathodes for developing high-performance and high-energy lithium-sulfur (Li-S) batteries. It is first verified that ball milling is an effective and facile route for nanoengineering microsized S powders and the resultant nanoscale S particles exhibit better performance. Using these ball milled nanoscale S cathodes, it is found that ALD Al2O3 performed at 50 degrees C yields deposits that evolve with ALD cycles from dispersed nanoparticles, to porous, connected films, and finally to dense and continuous films. Moreover, this low temperature ALD processmore » suppresses S loss by sublimation. The ALD Al2O3 greatly improves sulfur cathode sustainable capacity and Coulombic efficiency. This study postulates two different mechanisms underlying the effects of ALD Al2O3 surface coatings depending on their morphology. ALD Al2O3 nanoparticles dispersed on the sulfur surface mainly function to adsorb polysulfides, thereby inhibiting S shuttling and improving sustainable capacity and Coulombic efficiency. By contrast, ALD Al2O3 films behave as a physical barrier to prevent polysulfides from contacting the liquid electrolyte and dissolving. The dispersed Al2O3 nanoparticles improve both sustainable capacity and Coulombic efficiency while the closed Al2O3 films improve Coulombic efficiency while decreasing the capacity« less

REVIEW ARTICLE: On correlation effects in electron spectroscopies and the GW approximation

NASA Astrophysics Data System (ADS)

Hedin, Lars

1999-10-01

The GW approximation (GWA) extends the well-known Hartree-Fock approximation (HFA) for the self-energy (exchange potential), by replacing the bare Coulomb potential v by the dynamically screened potential W, e.g. Vex = iGv is replaced by icons/Journals/Common/Sigma" ALT="Sigma" ALIGN="TOP"/>GW = iGW. Here G is the one-electron Green's function. The GWA like the HFA is self-consistent, which allows for solutions beyond perturbation theory, like say spin-density waves. In a first approximation, iGW is a sum of a statically screened exchange potential plus a Coulomb hole (equal to the electrostatic energy associated with the charge pushed away around a given electron). The Coulomb hole part is larger in magnitude, but the two parts give comparable contributions to the dispersion of the quasi-particle energy. The GWA can be said to describe an electronic polaron (an electron surrounded by an electronic polarization cloud), which has great similarities to the ordinary polaron (an electron surrounded by a cloud of phonons). The dynamical screening adds new crucial features beyond the HFA. With the GWA not only bandstructures but also spectral functions can be calculated, as well as charge densities, momentum distributions, and total energies. We will discuss the ideas behind the GWA, and generalizations which are necessary to improve on the rather poor GWA satellite structures in the spectral functions. We will further extend the GWA approach to fully describe spectroscopies like photoemission, x-ray absorption, and electron scattering. Finally we will comment on the relation between the GWA and theories for strongly correlated electronic systems. In collecting the material for this review, a number of new results and perspectives became apparent, which have not been published elsewhere.

Coulomb stress analysis of the 21 February 2008 Mw= 6.0 Wells, Nevada, earthquake

USGS Publications Warehouse

Sevilgen, Volkan

2011-01-01

Static Coulomb stress changes imparted by the February 21, 2008 Wells, Nevada earthquake are calculated, using an 8 x 6 km rectangular patch with a uniform slip as a source fault. Stress changes are resolved on nearby active faults using their rake, dip, and strike direction, assuming a fault friction of 0.4. The largest Coulomb stress increase (0.2 bars) imparted to surrounding major active faults from the Wells earthquake occurs on the Clover Hill fault, which may be the southern continuation of the ruptured fault. A 0.1 bar Coulomb stress increase is calculated on the western Snake Mountains fault. Coulomb stress decreases of 0.5 bars are calculated for the northern parts of the Independence and Ruby Mountains faults. The Coulomb stress change is calculated on relocated aftershocks assuming that they have the same strike, dip, and rake, as the source fault. Under this assumption, 75% of the aftershocks received a Coulomb stress increase.

Coulomb crystals in neutron star crust

NASA Astrophysics Data System (ADS)

Baiko, D. A.

2014-03-01

It is well known that neutron star crust in a wide range of mass densities and temperatures is in a crystal state. At a given density, the crystal is made of fully ionized atomic nuclei of a single species immersed in a nearly incompressible (i.e., constant and uniform) charge compensating background of electrons. This model is known as the Coulomb crystal model. In this talk we analyze thermodynamic and elastic properties of the Coulomb crystals and discuss various deviations from the ideal model. In particular, we study the Coulomb crystal behavior in the presence of a strong magnetic field, consider the effect of the electron gas polarizability, outline the main properties of binary Coulomb crystals, and touch the subject of quasi-free neutrons permeating the Coulomb crystal of ions in deeper layers of neutron star crust.

Controllability of the Coulomb charging energy in close-packed nanoparticle arrays.

PubMed

Duan, Chao; Wang, Ying; Sun, Jinling; Guan, Changrong; Grunder, Sergio; Mayor, Marcel; Peng, Lianmao; Liao, Jianhui

2013-11-07

We studied the electronic transport properties of metal nanoparticle arrays, particularly focused on the Coulomb charging energy. By comparison, we confirmed that it is more reasonable to estimate the Coulomb charging energy using the activation energy from the temperature-dependent zero-voltage conductance. Based on this, we systematically and comprehensively investigated the parameters that could be used to tune the Coulomb charging energy in nanoparticle arrays. We found that four parameters, including the particle core size, the inter-particle distance, the nearest neighboring number, and the dielectric constant of ligand molecules, could significantly tune the Coulomb charging energy.

Three-body Coulomb problem probed by mapping the Bethe surface in ionizing ion-atom collisions.

PubMed

Moshammer, R; Perumal, A; Schulz, M; Rodríguez, V D; Kollmus, H; Mann, R; Hagmann, S; Ullrich, J

2001-11-26

The three-body Coulomb problem has been explored in kinematically complete experiments on single ionization of helium by 100 MeV/u C(6+) and 3.6 MeV/u Au(53+) impact. Low-energy electron emission ( E(e)<150 eV) as a function of the projectile deflection theta(p) (momentum transfer), i.e., the Bethe surface [15], has been mapped with Delta theta(p)+/-25 nanoradian resolution at extremely large perturbations ( 3.6 MeV/u Au(53+)) where single ionization occurs at impact parameters of typically 10 times the He K-shell radius. The experimental data are not in agreement with state-of-the-art continuum distorted wave-eikonal initial state theory.

Magnetoresistance effect of heat generation in a single-molecular spin-valve

NASA Astrophysics Data System (ADS)

Jiang, Feng; Yan, Yonghong; Wang, Shikuan; Yan, Yijing

2016-02-01

Based on non-equilibrium Green's functions' theory and small polaron transformation's technology, we study the heat generation by current through a single-molecular spin-valve. Numerical results indicate that the variation of spin polarization degree can change heat generation effectively, the spin-valve effect happens not only in electrical current but also in heat generation when Coulomb repulsion in quantum dot is smaller than phonon frequency and interestingly, when Coulomb repulsion is larger than phonon frequency, the inverse spin-valve effect appears by sweeping gate voltage and is enlarged with bias increasing. The inverse spin-valve effect will induce the unique heat magnetoresistance effect, which can be modulated from heat-resistance to heat-gain by gate voltage easily.

Chiral and deconfinement phase transition in the Hamiltonian approach to QCD in Coulomb gauge

NASA Astrophysics Data System (ADS)

Reinhardt, H.; Vastag, P.

2016-11-01

The chiral and deconfinement phase transitions are investigated within the variational Hamiltonian approach to QCD in Coulomb gauge. The temperature β-1 is introduced by compactifying a spatial dimension. Thereby the whole temperature dependence is encoded in the vacuum state on the spatial manifold R2×S1(β ) . The chiral quark condensate and the dual quark condensate (dressed Polyakov loop) are calculated as a function of the temperature. From their inflection points the pseudocritical temperatures for the chiral and deconfinement crossover transitions are determined. Using the zero-temperature quark and gluon propagators obtained within the variational approach as input, we find 170 and 198 MeV, respectively, for the chiral and deconfinement transition.

Coupling of Multiple Coulomb Scattering with Energy Loss and Straggling in HZETRN

NASA Technical Reports Server (NTRS)

Mertens, Christopher J.; Wilson, John W.; Walker, Steven A.; Tweed, John

2007-01-01

The new version of the HZETRN deterministic transport code based on Green's function methods, and the incorporation of ground-based laboratory boundary conditions, has lead to the development of analytical and numerical procedures to include off-axis dispersion of primary ion beams due to small-angle multiple Coulomb scattering. In this paper we present the theoretical formulation and computational procedures to compute ion beam broadening and a methodology towards achieving a self-consistent approach to coupling multiple scattering interactions with ionization energy loss and straggling. Our initial benchmark case is a 60 MeV proton beam on muscle tissue, for which we can compare various attributes of beam broadening with Monte Carlo simulations reported in the open literature.

Thermoelectric effect in an Aharonov-Bohm ring with an embedded quantum dot

PubMed Central

2012-01-01

Thermoelectric effect is studied in an Aharonov-Bohm interferometer with an embedded quantum dot (QD) in the Coulomb blockade regime. The electrical conductance, electron thermal conductance, thermopower, and thermoelectric figure-of-merit are calculated by using the Keldysh Green's function method. It is found that the figure-of-merit ZT of the QD ring may be quite high due to the Fano effect originated from the quantum interference effect. Moreover, the thermoelectric efficiency is sensitive to the magnitude of the dot-lead and inter-lead coupling strengthes. The effect of intradot Coulomb repulsion on ZT is significant in the weak-coupling regime, and then large ZT values can be obtained at rather high temperature. PMID:22369454

Quasi-particle spectrum in trilayer graphene: Role of onsite coulomb interaction and interlayer coupling

NASA Astrophysics Data System (ADS)

Kumar, Sanjay; Ajay

2015-01-01

Stacking dependent quasi-particle spectrum and density of states (DOS) in trilayer (ABC-, ABA- and AAA-stacked) graphene are analyzed using mean-field Green's function equations of motion method. Interlayer coupling (t1) is found to be responsible for the splitting of quasi-particle peaks in each stacking order. Coulomb interaction suppresses the trilayer splitting and generates a finite gap at Fermi level in ABC- while a tiny gap in ABA-stacked trilayer graphene. Influence of t⊥ is prominent for AAA-stacking as compared to ABC- and ABA-stacking orders. The theoretically obtained quasi-particle energies and DOS has been viewed in terms of recent angle resolved photoemission spectroscopic (ARPES) and scanning tunneling microscopic (STM) data available on these systems.

Variational and robust density fitting of four-center two-electron integrals in local metrics

NASA Astrophysics Data System (ADS)

Reine, Simen; Tellgren, Erik; Krapp, Andreas; Kjærgaard, Thomas; Helgaker, Trygve; Jansik, Branislav; Høst, Stinne; Salek, Paweł

2008-09-01

Density fitting is an important method for speeding up quantum-chemical calculations. Linear-scaling developments in Hartree-Fock and density-functional theories have highlighted the need for linear-scaling density-fitting schemes. In this paper, we present a robust variational density-fitting scheme that allows for solving the fitting equations in local metrics instead of the traditional Coulomb metric, as required for linear scaling. Results of fitting four-center two-electron integrals in the overlap and the attenuated Gaussian damped Coulomb metric are presented, and we conclude that density fitting can be performed in local metrics at little loss of chemical accuracy. We further propose to use this theory in linear-scaling density-fitting developments.

Variational and robust density fitting of four-center two-electron integrals in local metrics.

PubMed

Reine, Simen; Tellgren, Erik; Krapp, Andreas; Kjaergaard, Thomas; Helgaker, Trygve; Jansik, Branislav; Host, Stinne; Salek, Paweł

2008-09-14

Density fitting is an important method for speeding up quantum-chemical calculations. Linear-scaling developments in Hartree-Fock and density-functional theories have highlighted the need for linear-scaling density-fitting schemes. In this paper, we present a robust variational density-fitting scheme that allows for solving the fitting equations in local metrics instead of the traditional Coulomb metric, as required for linear scaling. Results of fitting four-center two-electron integrals in the overlap and the attenuated Gaussian damped Coulomb metric are presented, and we conclude that density fitting can be performed in local metrics at little loss of chemical accuracy. We further propose to use this theory in linear-scaling density-fitting developments.

Spin and pseudospin symmetric Dirac particles in the field of Tietz—Hua potential including Coulomb tensor interaction

NASA Astrophysics Data System (ADS)

Sameer, M. Ikhdair; Majid, Hamzavi

2013-09-01

Approximate analytical solutions of the Dirac equation for Tietz—Hua (TH) potential including Coulomb-like tensor (CLT) potential with arbitrary spin—orbit quantum number κ are obtained within the Pekeris approximation scheme to deal with the spin—orbit coupling terms κ(κ ± 1)r-2. Under the exact spin and pseudospin symmetric limitation, bound state energy eigenvalues and associated unnormalized two-component wave functions of the Dirac particle in the field of both attractive and repulsive TH potential with tensor potential are found using the parametric Nikiforov—Uvarov (NU) method. The cases of the Morse oscillator with tensor potential, the generalized Morse oscillator with tensor potential, and the non-relativistic limits have been investigated.

New quantum number for the many-electron Dirac-Coulomb Hamiltonian

NASA Astrophysics Data System (ADS)

Komorovsky, Stanislav; Repisky, Michal; Bučinský, Lukáš

2016-11-01

By breaking the spin symmetry in the relativistic domain, a powerful tool in physical sciences was lost. In this work, we examine an alternative of spin symmetry for systems described by the many-electron Dirac-Coulomb Hamiltonian. We show that the square of many-electron operator K+, defined as a sum of individual single-electron time-reversal (TR) operators, is a linear Hermitian operator which commutes with the Dirac-Coulomb Hamiltonian in a finite Fock subspace. In contrast to the square of a standard unitary many-electron TR operator K , the K+2 has a rich eigenspectrum having potential to substitute spin symmetry in the relativistic domain. We demonstrate that K+ is connected to K through an exponential mapping, in the same way as spin operators are mapped to the spin rotational group. Consequently, we call K+ the generator of the many-electron TR symmetry. By diagonalizing the operator K+2 in the basis of Kramers-restricted Slater determinants, we introduce the relativistic variant of configuration state functions (CSF), denoted as Kramers CSF. A new quantum number associated with K+2 has potential to be used in many areas, for instance, (a) to design effective spin Hamiltonians for electron spin resonance spectroscopy of heavy-element containing systems; (b) to increase efficiency of methods for the solution of many-electron problems in relativistic computational chemistry and physics; (c) to define Kramers contamination in unrestricted density functional and Hartree-Fock theory as a relativistic analog of the spin contamination in the nonrelativistic domain.

Thermal decay of Coulomb blockade oscillations

NASA Astrophysics Data System (ADS)

Idrisov, Edvin G.; Levkivskyi, Ivan P.; Sukhorukov, Eugene V.

2017-10-01

We study transport properties and the charge quantization phenomenon in a small metallic island connected to the leads through two quantum point contacts (QPCs). The linear conductance is calculated perturbatively with respect to weak tunneling and weak backscattering at QPCs as a function of the temperature T and gate voltage. The conductance shows Coulomb blockade (CB) oscillations as a function of the gate voltage that decay with the temperature as a result of thermally activated fluctuations of the charge in the island. The regimes of quantum T ≪EC and thermal T ≫EC fluctuations are considered, where EC is the charging energy of an isolated island. Our predictions for CB oscillations in the quantum regime coincide with previous findings by Furusaki and Matveev [Phys. Rev. B 52, 16676 (1995), 10.1103/PhysRevB.52.16676]. In the thermal regime the visibility of Coulomb blockade oscillations decays with the temperature as √{T /EC }exp(-π2T /EC) , where the exponential dependence originates from the thermal averaging over the instant charge fluctuations, while the prefactor has a quantum origin. This dependence does not depend on the strength of couplings to the leads. The differential capacitance, calculated in the case of a single tunnel junction, shows the same exponential decay, however the prefactor is linear in the temperature. This difference can be attributed to the nonlocality of the quantum effects. Our results agree with the recent experiment [Nature (London) 536, 58 (2016), 10.1038/nature19072] in the whole range of the parameter T /EC .

Influence of lithostatic stress on earthquake stress drops in North America

USGS Publications Warehouse

Boyd, Oliver; McNamara, Daniel E.; Hartzell, Stephen; Choy, George

2017-01-01

We estimate stress drops for earthquakes in and near the continental United States using the method of spectral ratios. The ratio of acceleration spectra between collocated earthquakes recorded at a given station removes the effects of path and recording site and yields source parameters including corner frequency for, and the ratio of seismic moment between, the two earthquakes. We determine stress drop from these parameters for 1121 earthquakes greater than M∼3 in 60 earthquake clusters. We find that the average Brune stress drop for the few eastern United States (EUS) tectonic mainshocks studied (2.6–36 MPa) is about three times greater than that of tectonic mainshocks in the western United States (WUS, 1.0–7.9 MPa) and five times greater than mainshocks potentially induced by wastewater injection in the central United States (CUS, 0.6–5.6 MPa). EUS events tend to be deeper thrusting events, whereas WUS events tend to be shallower but have a wide range of focal mechanisms. CUS events tend to be shallow with strike‐slip to normal‐faulting mechanisms. With the possible exception of CUS aftershocks, we find that differences in stress drop among all events can be taken into account, within one standard deviation of significance, by differences in the shear failure stress as outlined by Mohr–Coulomb theory. The shear failure stress is a function of vertical stress (or depth), the fault style (normal, strike slip, or reverse), and coefficient of friction (estimated here to be, on average, 0.64). After accounting for faulting style and depth dependence, we find that the average Brune stress drop is about 3% of the failure stress. These results suggest that high‐frequency shaking hazard (>∼1  Hz) from shallow induced events and aftershocks is reduced to some extent by lower stress drop. However, the shallow hypocenters will increase hazard within several kilometers of the source.

Spectral properties of excitons in the bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-01-01

In this paper, we consider the spectral properties of the bilayer graphene with the local excitonic pairing interaction between the electrons and holes. We consider the generalized Hubbard model, which includes both intralayer and interlayer Coulomb interaction parameters. The solution of the excitonic gap parameter is used to calculate the electronic band structure, single-particle spectral functions, the hybridization gap, and the excitonic coherence length in the bilayer graphene. We show that the local interlayer Coulomb interaction is responsible for the semimetal-semiconductor transition in the double layer system, and we calculate the hybridization gap in the band structure above the critical interaction value. The formation of the excitonic band gap is reported as the threshold process and the momentum distribution functions have been calculated numerically. We show that in the weak coupling limit the system is governed by the Bardeen-Cooper-Schrieffer (BCS)-like pairing state. Contrary, in the strong coupling limit the excitonic condensate states appear in the semiconducting phase, by forming the Dirac's pockets in the reciprocal space.

Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach

NASA Astrophysics Data System (ADS)

Refaely-Abramson, Sivan; da Jornada, Felipe H.; Louie, Steven G.; Neaton, Jeffrey B.

2017-12-01

We develop a new first-principles approach to predict and understand rates of singlet fission with an ab initio Green's-function formalism based on many-body perturbation theory. Starting with singlet and triplet excitons computed from a G W plus Bethe-Salpeter equation approach, we calculate the exciton-biexciton coupling to lowest order in the Coulomb interaction, assuming a final state consisting of two noninteracting spin-correlated triplets with finite center-of-mass momentum. For crystalline pentacene, symmetries dictate that the only purely Coulombic fission decay process from a bright singlet state requires a final state consisting of two inequivalent nearly degenerate triplets of nonzero, equal and opposite, center-of-mass momenta. For such a process, we predict a singlet lifetime of 30-70 fs, in very good agreement with experimental data, indicating that this process can dominate singlet fission in crystalline pentacene. Our approach is general and provides a framework for predicting and understanding multiexciton interactions in solids.

Sensitivity of Coulomb stress changes to slip models of source faults: A case study for the 2011 Mw 9.0 Tohoku-oki earthquake

NASA Astrophysics Data System (ADS)

Wang, J.; Xu, C.; Furlong, K.; Zhong, B.; Xiao, Z.; Yi, L.; Chen, T.

2017-12-01

Although Coulomb stress changes induced by earthquake events have been used to quantify stress transfers and to retrospectively explain stress triggering among earthquake sequences, realistic reliable prospective earthquake forecasting remains scarce. To generate a robust Coulomb stress map for earthquake forecasting, uncertainties in Coulomb stress changes associated with the source fault, receiver fault and friction coefficient and Skempton's coefficient need to be exhaustively considered. In this paper, we specifically explore the uncertainty in slip models of the source fault of the 2011 Mw 9.0 Tohoku-oki earthquake as a case study. This earthquake was chosen because of its wealth of finite-fault slip models. Based on the wealth of those slip models, we compute the coseismic Coulomb stress changes induced by this mainshock. Our results indicate that nearby Coulomb stress changes for each slip model can be quite different, both for the Coulomb stress map at a given depth and on the Pacific subducting slab. The triggering rates for three months of aftershocks of the mainshock, with and without considering the uncertainty in slip models, differ significantly, decreasing from 70% to 18%. Reliable Coulomb stress changes in the three seismogenic zones of Nanki, Tonankai and Tokai are insignificant, approximately only 0.04 bar. By contrast, the portions of the Pacific subducting slab at a depth of 80 km and beneath Tokyo received a positive Coulomb stress change of approximately 0.2 bar. The standard errors of the seismicity rate and earthquake probability based on the Coulomb rate-and-state model (CRS) decay much faster with elapsed time in stress triggering zones than in stress shadows, meaning that the uncertainties in Coulomb stress changes in stress triggering zones would not drastically affect assessments of the seismicity rate and earthquake probability based on the CRS in the intermediate to long term.

Earthquake triggering by transient and static deformations

USGS Publications Warehouse

Gomberg, J.; Beeler, N.M.; Blanpied, M.L.; Bodin, P.

1998-01-01

Observational evidence for both static and transient near-field and far-field triggered seismicity are explained in terms of a frictional instability model, based on a single degree of freedom spring-slider system and rate- and state-dependent frictional constitutive equations. In this study a triggered earthquake is one whose failure time has been advanced by ??t (clock advance) due to a stress perturbation. Triggering stress perturbations considered include square-wave transients and step functions, analogous to seismic waves and coseismic static stress changes, respectively. Perturbations are superimposed on a constant background stressing rate which represents the tectonic stressing rate. The normal stress is assumed to be constant. Approximate, closed-form solutions of the rate-and-state equations are derived for these triggering and background loads, building on the work of Dieterich [1992, 1994]. These solutions can be used to simulate the effects of static and transient stresses as a function of amplitude, onset time t0, and in the case of square waves, duration. The accuracies of the approximate closed-form solutions are also evaluated with respect to the full numerical solution and t0. The approximate solutions underpredict the full solutions, although the difference decreases as t0, approaches the end of the earthquake cycle. The relationship between ??t and t0 differs for transient and static loads: a static stress step imposed late in the cycle causes less clock advance than an equal step imposed earlier, whereas a later applied transient causes greater clock advance than an equal one imposed earlier. For equal ??t, transient amplitudes must be greater than static loads by factors of several tens to hundreds depending on t0. We show that the rate-and-state model requires that the total slip at failure is a constant, regardless of the loading history. Thus a static load applied early in the cycle, or a transient applied at any time, reduces the stress at the initiation of failure, whereas static loads that are applied sufficiently late raise it. Rate-and-state friction predictions differ markedly from those based on Coulomb failure stress changes (??CFS) in which ??t equals the amplitude of the static stress change divided by the background stressing rate. The ??CFS model assumes a stress failure threshold, while the rate-and-state equations require a slip failure threshold. The complete rale-and-state equations predict larger ??t than the ??CFS model does for static stress steps at small t0, and smaller ??t than the ??CFS model for stress steps at large t0. The ??CFS model predicts nonzero ??t only for transient loads that raise the stress to failure stress levels during the transient. In contrast, the rate-and-state model predicts nonzero ??t for smaller loads, and triggered failure may occur well after the transient is finished. We consider heuristically the effects of triggering on a population of faults, as these effects might be evident in seismicity data. Triggering is manifest as an initial increase in seismicity rate that may be followed by a quiescence or by a return to the background rate. Available seismicity data are insufficient to discriminate whether triggered earthquakes are "new" or clock advanced. However, if triggering indeed results from advancing the failure time of inevitable earthquakes, then our modeling suggests that a quiescence always follows transient triggering and that the duration of increased seismicity also cannot exceed the duration of a triggering transient load. Quiescence follows static triggering only if the population of available faults is finite.

Ginzburg criterion for ionic fluids: the effect of Coulomb interactions.

PubMed

Patsahan, O

2013-08-01

The effect of the Coulomb interactions on the crossover between mean-field and Ising critical behavior in ionic fluids is studied using the Ginzburg criterion. We consider the charge-asymmetric primitive model supplemented by short-range attractive interactions in the vicinity of the gas-liquid critical point. The model without Coulomb interactions exhibiting typical Ising critical behavior is used to calibrate the Ginzburg temperature of the systems comprising electrostatic interactions. Using the collective variables method, we derive a microscopic-based effective Hamiltonian for the full model. We obtain explicit expressions for all the relevant Hamiltonian coefficients within the framework of the same approximation, i.e., the one-loop approximation. Then we consistently calculate the reduced Ginzburg temperature t(G) for both the purely Coulombic model (a restricted primitive model) and the purely nonionic model (a hard-sphere square-well model) as well as for the model parameters ranging between these two limiting cases. Contrary to the previous theoretical estimates, we obtain the reduced Ginzburg temperature for the purely Coulombic model to be about 20 times smaller than for the nonionic model. For the full model including both short-range and long-range interactions, we show that t(G) approaches the value found for the purely Coulombic model when the strength of the Coulomb interactions becomes sufficiently large. Our results suggest a key role of Coulomb interactions in the crossover behavior observed experimentally in ionic fluids as well as confirm the Ising-like criticality in the Coulomb-dominated ionic systems.

On the Large R-charge Expansion in N=2 Superconformal Field Theories

NASA Astrophysics Data System (ADS)

Hellerman, Simeon; Maeda, Shunsuke

2017-12-01

In this note we study two point functions of Coulomb branch chiral ring elements with large R-charge, in quantum field theories with N=2 superconformal symmetry in four spacetime dimensions. Focusing on the case of one-dimensional Coulomb branch, we use the effective-field-theoretic methods of [1], to estimate the two-point correlation function Y_n≡ {|x-y|}^{2n{Δ}_O}< {(O(x))}^n{(\\overlineO(y))}^n> in the limit where the operator insertion O^n has large total R-charge J=n{Δ}_O . We show that Y_n has a nontrivial but universal asymptotic expansion at large J , of the form Y_n from "Euclid Math One" (0x3D)J!{(|{N}_O|/2π)}^{2J}J^{α }{\\tildeY}_n, where {\\tildeY}_n approaches a constant as n → ∞, and {N}_O is an n-independent constant describing on the normalization of the operator relative to the effective Abelian gauge coupling. The exponent α is a positive number proportional to the difference between the a-anomaly coefficient of the underlying CFT and that of the effective theory of the Coulomb branch. For Lagrangian SCFT, we check our predictions for the logarithm B_n= log (Y_n) , up to and including order log J against exact results from supersymmetric localization [2-5]. In the case of N=4 we find precise agreement and in the case N=2 we find reasonably good numerical agreement at J˜eq 60 using the no-instanton approximation to the S 4 partition function. We also give predictions for the growth of two-point functions in all rank-one SCFT in the classification of [6-9]. In this way, we show the large- R-charge expansion serves as a bridge from the world of unbroken superconformal symmetry, OPE data, and bootstraps, to the world of the low-energy dynamics of the moduli space of vacua.

Comment on "Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit".

PubMed

Carrillo-Bernal, M A; Núñez-Yépez, H N; Salas-Brito, A L; Solis, Didier A

2015-02-01

In the referred paper, the authors use a numerical method for solving ordinary differential equations and a softened Coulomb potential -1/√[x(2)+β(2)] to study the one-dimensional Coulomb problem by approaching the parameter β to zero. We note that even though their numerical findings in the soft potential scenario are correct, their conclusions do not extend to the one-dimensional Coulomb problem (β=0). Their claims regarding the possible existence of an even ground state with energy -∞ with a Dirac-δ eigenfunction and of well-defined parity eigenfunctions in the one-dimensional hydrogen atom are questioned.

The integration of stress, strain, and seismogenic fault data: towards more robust estimates of the earthquake potential in Italy and its surroundings

NASA Astrophysics Data System (ADS)

Caporali, Alessandro; Braitenberg, Carla; Burrato, Pierfrancesco; Carafa, Michele; Di Giovambattista, Rita; Gentili, Stefania; Mariucci, Maria Teresa; Montone, Paola; Morsut, Federico; Nicolini, Luca; Pivetta, Tommaso; Roselli, Pamela; Rossi, Giuliana; Valensise, Gian Luca; Vigano, Alfio

2016-04-01

Italy is an earthquake-prone country with a long tradition in observational seismology. For many years, the country's unique historical earthquake record has revealed fundamental properties of Italian seismicity and has been used to determine earthquake rates. Paleoseismological studies conducted over the past 20 years have shown that the length of this record - 5 to 8 centuries, depending on areas - is just a fraction of the typical recurrence interval of Italian faults - consistently larger than a millennium. Hence, so far the earthquake potential may have been significantly over- or under-estimated. Based on a clear perception of these circumstances, over the past two decades large networks and datasets describing independent aspects of the seismic cycle have been developed. INGV, OGS, some universities and local administrations have built networks that globally include nearly 500 permanent GPS/GNSS sites, routinely used to compute accurate horizontal velocity gradients reflecting the accumulation of tectonic strain. INGV developed the Italian present-day stress map, which includes over 700 datapoints based on geophysical in-situ measurements and fault plane solutions, and the Database of Individual Seismogenic Sources (DISS), a unique compilation featuring nearly 300 three-dimensional seismogenic faults over the entire nation. INGV also updates and maintains the Catalogo Parametrico dei Terremoti Italiani (CPTI) and the instrumental earthquake database ISIDe, whereas OGS operates its own seismic catalogue for northeastern Italy. We present preliminary results on the use of this wealth of homogeneously collected and updated observations of stress and strain as a source of loading/unloading of the faults listed in the DISS database. We use the geodetic strain rate - after converting it to stress rate in conjunction with the geophysical stress data of the Stress Map - to compute the Coulomb Failure Function on all fault planes described by the DISS database. This may be seen as an indicator of the rate at which the regional stress is transferred to each fault; as its sign can be positive or negative, the Coulomb Failure Function rate should ultimately indicate the rate at which every fault for which sufficient geodetic data are available is loading or unloading elastic energy. A better understanding of the relationships among geodetically-documented strains, present-day stress, active faulting and seismicity for the entire country should enable us to outline regions where the current strains explain well the known seismicity and to single out areas where stress is consistently building up but are historically quiescent. In such areas the lack of seismicity may result from a limited earthquake coupling - i.e. current strains are consumed aseismically - or from the incompleteness of the earthquake record. Our results may ultimately contribute to the assessment of time-dependent seismic hazard in Italy, thus complementing the time-independent approach used for conventional seismic hazard maps.

An Experimental Investigation into Failure and Localization Phenomena in the Extension to Shear Fracture Transition in Rock

NASA Astrophysics Data System (ADS)

Choens, R. C., II; Chester, F. M.; Bauer, S. J.; Flint, G. M.

2014-12-01

Fluid-pressure assisted fracturing can produce mesh and other large, interconnected and complex networks consisting of both extension and shear fractures in various metamorphic, magmatic and tectonic systems. Presently, rock failure criteria for tensile and low-mean compressive stress conditions is poorly defined, although there is accumulating evidence that the transition from extension to shear fracture with increasing mean stress is continuous. We report on the results of experiments designed to document failure criteria, fracture mode, and localization phenomena for several rock types (sandstone, limestone, chalk and marble). Experiments were conducted in triaxial extension using a necked (dogbone) geometry to achieve mixed tension and compression stress states with local component-strain measurements in the failure region. The failure envelope for all rock types is similar, but are poorly described using Griffith or modified Griffith (Coulomb or other) failure criteria. Notably, the mode of fracture changes systematically from pure extension to shear with increase in compressive mean stress and display a continuous change in fracture orientation with respect to principal stress axes. Differential stress and inelastic strain show a systematic increase with increasing mean stress, whereas the axial stress decreases before increasing with increasing mean stress. The stress and strain data are used to analyze elastic and plastic strains leading to failure and compare the experimental results to predictions for localization using constitutive models incorporating on bifurcation theory. Although models are able to describe the stability behavior and onset of localization qualitatively, the models are unable to predict fracture type or orientation. Constitutive models using single or multiple yield surfaces are unable to predict the experimental results, reflecting the difficulty in capturing the changing micromechanisms from extension to shear failure. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Deopartment of Energy's National Security Administration under contract DE-AC04-94AL85000. SAND2014-16578A

InSAR Analysis of the 2011 Hawthorne (Nevada) Earthquake Swarm: Implications of Earthquake Migration and Stress Transfer

NASA Astrophysics Data System (ADS)

Zha, X.; Dai, Z.; Lu, Z.

2015-12-01

The 2011 Hawthorne earthquake swarm occurred in the central Walker Lane zone, neighboring the border between California and Nevada. The swarm included an Mw 4.4 on April 13, Mw 4.6 on April 17, and Mw 3.9 on April 27. Due to the lack of the near-field seismic instrument, it is difficult to get the accurate source information from the seismic data for these moderate-magnitude events. ENVISAT InSAR observations captured the deformation mainly caused by three events during the 2011 Hawthorne earthquake swarm. The surface traces of three seismogenic sources could be identified according to the local topography and interferogram phase discontinuities. The epicenters could be determined using the interferograms and the relocated earthquake distribution. An apparent earthquake migration is revealed by InSAR observations and the earthquake distribution. Analysis and modeling of InSAR data show that three moderate magnitude earthquakes were produced by slip on three previously unrecognized faults in the central Walker Lane. Two seismogenic sources are northwest striking, right-lateral strike-slip faults with some thrust-slip components, and the other source is a northeast striking, thrust-slip fault with some strike-slip components. The former two faults are roughly parallel to each other, and almost perpendicular to the latter one. This special spatial correlation between three seismogenic faults and nature of seismogenic faults suggest the central Walker Lane has been undergoing southeast-northwest horizontal compressive deformation, consistent with the region crustal movement revealed by GPS measurement. The Coulomb failure stresses on the fault planes were calculated using the preferred slip model and the Coulomb 3.4 software package. For the Mw4.6 earthquake, the Coulomb stress change caused by the Mw4.4 event increased by ~0.1 bar. For the Mw3.9 event, the Coulomb stress change caused by the Mw4.6 earthquake increased by ~1.0 bar. This indicates that the preceding earthquake may trigger the subsequence one. Because no abnormal volcano activity was observed during the 2011 Hawthorne earthquake swarm, we can rule out the volcano activity to induce these events. However, the groundwater change and mining in the epicentral zone may contribute to the 2011 Hawthorne earthquake.

Static structure of a pointed charged drop

NASA Astrophysics Data System (ADS)

Fernandez de La Mora, Juan

2017-11-01

The static equilibrium structure of an equipotential drop with two symmetric Taylor cones is computed by assigning a charge distribution along the z axis q (z) = ∑Bn (L2 -z2)n + 1 / 2 . Taylor's local equilibrium at the poles z = L , - L fixes two of the Bn coefficients as a function of the other, determined by minimizing stress imbalance. Just two optimally chosen terms in the Bn expansion yield imperceptible errors. Prior work has argued that an exploding drop initially carrying Rayleigh's charge qR is quasi static. Paradoxically, quasi-static predictions on the size of the progeny drops emitted during a Coulombic explosion disagree with observations. The static drop structure found here also models poorly a Coulomb explosion having an equatorial over polar length ratio (0.42) and the a drop charge exceeding those observed (0.28-0.36 and qR / 2). Our explanation for this paradox is that, while the duration tc of a Coulomb explosion is much larger than the charge relaxation time, the dynamic time scale for drop elongation is typically far longer than tc. Therefore, the pressure distribution within the exploding drop is not uniform. A similar analysis for a drop in an external field fits well the experimental shape.

Effects of sudden density changes in disordered superconductors and semiconductors

NASA Astrophysics Data System (ADS)

Assi, Hiba; Chaturvedi, Harshwardhan; Pleimling, Michel; Täuber, Uwe

Vortices in type-II superconductors in the presence of extended, linear defects display the strongly pinned Bose glass phase at low temperatures. This disorder-dominated thermodynamic state is characterized by suppressed lateral flux line fluctuations and very slow structural relaxation kinetics: The vortices migrate between different columnar pinning centers to minimize the mutual repulsive interactions and eventually optimize the system's pinning configuration. To monitor the flux lines' late-time structural relaxations, we employ a mapping between an effectively two-dimensional Bose glass system and a modified Coulomb glass model, originally developed to describe disordered semiconductors at low temperatures. By means of Monte Carlo simulations, we investigate the effects of the introduction of random bare site energies and sudden changes in the vortex or charge carrier density on the soft Coulomb gap that appears in the density of states due to the emerging spatial anticorrelations. The non-equilibrium relaxation properties of the Bose and Coulomb glass states and the ensuing aging kinetics are studied through the two-time density autocorrelation function and its various scaling forms. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-09ER46613.

Arbitrarily shaped high-coherence electron bunches from cold atoms

NASA Astrophysics Data System (ADS)

McCulloch, A. J.; Sheludko, D. V.; Saliba, S. D.; Bell, S. C.; Junker, M.; Nugent, K. A.; Scholten, R. E.

2011-10-01

Ultrafast electron diffractive imaging of nanoscale objects such as biological molecules and defects in solid-state devices provides crucial information on structure and dynamic processes: for example, determination of the form and function of membrane proteins, vital for many key goals in modern biological science, including rational drug design. High brightness and high coherence are required to achieve the necessary spatial and temporal resolution, but have been limited by the thermal nature of conventional electron sources and by divergence due to repulsive interactions between the electrons, known as the Coulomb explosion. It has been shown that, if the electrons are shaped into ellipsoidal bunches with uniform density, the Coulomb explosion can be reversed using conventional optics, to deliver the maximum possible brightness at the target. Here we demonstrate arbitrary and real-time control of the shape of cold electron bunches extracted from laser-cooled atoms. The ability to dynamically shape the electron source itself and to observe this shape in the propagated electron bunch provides a remarkable experimental demonstration of the intrinsically high spatial coherence of a cold-atom electron source, and the potential for alleviation of electron-source brightness limitations due to Coulomb explosion.

Energies of Screened Coulomb Potentials.

ERIC Educational Resources Information Center

Lai, C. S.

1979-01-01

This article shows that, by applying the Hellman-Feynman theorem alone to screened Coulomb potentials, the first four coefficients in the energy series in powers of the perturbation parameter can be obtained from the unperturbed Coulomb system. (Author/HM)

Diffusion in Coulomb crystals.

PubMed

Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

2011-07-01

Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

Molecular simulation of dispersion and mechanical stability of organically modified layered silicates in polymer matrices

NASA Astrophysics Data System (ADS)

Fu, Yao-Tsung

The experimental analysis of nanometer-scale separation processes and mechanical properties at buried interfaces in nanocomposites has remained difficult. We have employed molecular dynamics simulation in relation to available experimental data to alleviate such limitations and gain insight into the dispersion and mechanical stability of organically modified layered silicates in hydrophobic polymer matrices. We analyzed cleavage energies of various organically modified silicates as a function of the cation exchange capacity, surfactant head group chemistry, and chain length using MD simulations with the PCFF-PHYLLOSILICATE force field. The range of the cleavage energy is between 25 and 210 mJ/m2 upon the molecular structures and packing of surfactants. As a function of chain length, the cleavage energy indicates local minima for interlayer structures comprised of loosely packed layers of alkyl chains and local maxima for interlayer structures comprised of densely packed layers of alkyl chains between the layers. In addition, the distribution of cationic head groups between the layers in the equilibrium state determines whether large increases in cleavage energy due to Coulomb attraction. We have also examined mechanical bending and failure mechanisms of layered silicates on the nanometer scale using molecular dynamics simulation in comparison to a library of TEM data of polymer nanocomposites. We investigated the energy of single clay lamellae as a function of bending radius and different cation density. The layer energy increases particularly for bending radii below 20 nm and is largely independent of cation exchange capacity. The analysis of TEM images of agglomerated and exfoliated aluminosilicates of different CEC in polymer matrices at small volume fractions showed bending radii in excess of 100 nm due to free volumes in the polymer matrix. At a volume fraction >5%, however, bent clay layers were found with bending radii <20 nm and kinks as a failure mechanism in good agreement with simulation results. We have examined thermal conductivity of organically modified layered silicates using molecular dynamics simulation in comparison to experimental results by laser measurement. The thermal conductivity slightly increased from 0.08 to 0.14 Wm-1K-1 with increasing chain length, related to the gallery spacing and interlayer density of the organic material.

Stability of fault submitted to fluid injections

NASA Astrophysics Data System (ADS)

Brantut, N.; Passelegue, F. X.; Mitchell, T. M.

2017-12-01

Elevated pore pressure can lead to slip reactivation on pre-existing fractures and faults when the coulomb failure point is reached. From a static point of view, the reactivation of fault submitted to a background stress (τ0) is a function of the peak strength of the fault, i.e. the quasi-static effective friction coefficient (µeff). However, this theory is valid only when the entire fault is affected by fluid pressure, which is not the case in nature, and during human induced-seismicity. In this study, we present new results about the influence of the injection rate on the stability of faults. Experiments were conducted on a saw-cut sample of westerly granite. The experimental fault was 8 cm length. Injections were conducted through a 2 mm diameter hole reaching the fault surface. Experiments were conducted at four different order magnitudes fluid pressure injection rates (from 1 MPa/minute to 1 GPa/minute), in a fault system submitted to 50 and 100 MPa confining pressure. Our results show that the peak fluid pressure leading to slip depends on injection rate. The faster the injection rate, the larger the peak fluid pressure leading to instability. Wave velocity surveys across the fault highlighted that decreasing the injection-rate leads to an increase of size of the fluid pressure perturbation. Our result demonstrate that the stability of the fault is not only a function of the fluid pressure requires to reach the failure criterion, but is mainly a function of the ratio between the length of the fault affected by fluid pressure and the total fault length. In addition, we show that the slip rate increases with the background effective stress and with the intensity of the fluid pressure pertubation, i.e. with the excess shear stress acting on the part of the fault pertubated by fluid injection. Our results suggest that crustal fault can be reactivated by local high fluid overpressures. These results could explain the "large" magnitude human-induced earthquakes recently observed in Oklahoma (Mw 5.6, 2016).

Investigating Coulomb's Law.

ERIC Educational Resources Information Center

Noll, Ellis; Koehlinger, Mervin; Kowalski, Ludwik; Swackhamer, Gregg

1998-01-01

Describes the use of a computer-linked camera to demonstrate Coulomb's law. Suggests a way of reducing the difficulties in presenting Coulomb's law by teaching the inverse square law of gravity and the inverse square law of electricity in the same unit. (AIM)

Tectonic lineations and frictional faulting on a relatively simple body (Ariel)

NASA Astrophysics Data System (ADS)

Nyffenegger, Paul; Davis, Dan M.; Consolmagno, Guy J.

1997-09-01

Anderson's model of faulting and the Mohr-Coulomb failure criterion can predict the orientations of faults generated in laboratory triaxial compression experiments, but do a much poorer job of explaining the orientations of outcrop- and map-scale faults on Earth. This failure may be due to the structural complexity of the Earth's lithosphere, the failure of laboratory experiments to predict accurately the strength of natural faults, or some fundamental flaw in the model. A simpler environment, such as the lithosphere of an icy satellite, allows us to test whether this model can succeed in less complex settings. A mathematical method is developed to analyze patterns in fracture orientations that can be applied to fractures in the lithospheres of icy satellites. In a initial test of the method, more than 300 lineations on Uranus' satellite Ariel are examined. A nonrandom pattern of lineations is looked for, and the source of the stresses that caused those features and the strength of the material in which they occur are constrained. It is impossible to observe directly the slip on these fractures. However, their orientations are clearly nonrandom and appear to be consistent with Andersonian strike-slip faulting in a relatively weak frictional lithosphere during one or more episodes of tidal flexing.

Triggering of the Ms = 5.4 Little Skull Mountain, Nevada, earthquake with dynamic strains

USGS Publications Warehouse

Gomberg, Joan; Bodin, Paul

1994-01-01

We have developed an approach to test the viability of dynamic strains as a triggering mechanism by quantifying the dynamic strain tensor at seismogenic depths. We focus on the dynamic strains at the hypocenter of the Ms = 5.4 Little Skull Mountain (LSM), Nevada, earthquake. This event is noteworthy because it is the largest earthquake demonstrably triggered at remote distances (∼280 km) by the Ms = 7.4 Landers, California, earthquake and because of its ambiguous association with magmatic activity. Our analysis shows that, if dynamic strains initiate remote triggering, the orientation and modes of faulting most favorable for being triggered by a given strain transient change with depth. The geometry of the most probable LSM fault plane was favorably oriented with respect to the geometry of the dynamic strain tensor. We estimate that the magnitude of the peak dynamic strains at the hypocentral depth of the LSM earthquake were ∼4 μstrain (∼.2 MPa) which are ∼50% smaller than those estimated from velocity seismograms recorded at the surface. We suggest that these strains are too small to cause Mohr-Coulomb style failure unless the fault was prestrained to near failure levels, the fault was exceptionally weak, and/or the dynamic strains trigger other processes that lead to failure.

Foreshock triggering of the 1 April 2014 Mw 8.2 Iquique, Chile, earthquake

NASA Astrophysics Data System (ADS)

Herman, Matthew W.; Furlong, Kevin P.; Hayes, Gavin P.; Benz, Harley M.

2016-08-01

On April 1st, 2014, a Mw 8.2 (U.S. Geological Survey moment magnitude) earthquake occurred in the subduction zone offshore northern Chile. In the two weeks leading up to the earthquake, a sequence of foreshocks, starting with a Mw 6.7 earthquake on March 16th and including three more Mw 6.0+ events, occurred predominantly south of the April 1st mainshock epicenter and up-dip of the area of significant slip during the mainshock. Using earthquake locations and source parameters derived in a previous study (Hayes et al., 2014) and a Coulomb failure stress change analysis of these events, we assess in detail the hypothesis that the earthquakes occurred as a cascading sequence, each event successively triggering the next, ultimately triggering the rupture of the mainshock. Following the initial Mw 6.7 event, each of the three largest foreshocks (Mw 6.4, 6.2 and 6.3), as well as the hypocenter of the mainshock, occurred in a region of positive Coulomb stress change produced by the preceding events, indicating these events were brought closer to failure by the prior seismicity. In addition, we reexamine the possibility that aseismic slip occurred and what role it may have played in loading the plate boundary. Using horizontal GPS displacements from along the northern Chile coast prior to the mainshock, we find that the foreshock seismicity alone likely does not account for the observed signals. We perform a grid search for the location and magnitude of an aseismic slip patch that can account for the difference between observed signals and foreshock-related displacement, and find that a slow slip region with slip corresponding to a Mw ∼ 6.8 earthquake located coincident with or up-dip of the foreshock seismicity can best explain this discrepancy. Additionally, such a slow slip region positively loads the mainshock hypocentral area, enhancing the positive loading produced by the foreshock seismicity.

Fracture prediction using modified mohr coulomb theory for non-linear strain paths using AA3104-H19

NASA Astrophysics Data System (ADS)

Dick, Robert; Yoon, Jeong Whan

2016-08-01

Experiment results from uniaxial tensile tests, bi-axial bulge tests, and disk compression tests for a beverage can AA3104-H19 material are presented. The results from the experimental tests are used to determine material coefficients for both Yld2000 and Yld2004 models. Finite element simulations are developed to study the influence of materials model on the predicted earing profile. It is shown that only the YLD2004 model is capable of accurately predicting the earing profile as the YLD2000 model only predicts 4 ears. Excellent agreement with the experimental data for earing is achieved using the AA3104-H19 material data and the Yld2004 constitutive model. Mechanical tests are also conducted on the AA3104-H19 to generate fracture data under different stress triaxiality conditions. Tensile tests are performed on specimens with a central hole and notched specimens. Torsion of a double bridge specimen is conducted to generate points near pure shear conditions. The Nakajima test is utilized to produce points in bi-axial tension. The data from the experiments is used to develop the fracture locus in the principal strain space. Mapping from principal strain space to stress triaxiality space, principal stress space, and polar effective plastic strain space is accomplished using a generalized mapping technique. Finite element modeling is used to validate the Modified Mohr-Coulomb (MMC) fracture model in the polar space. Models of a hole expansion during cup drawing and a cup draw/reverse redraw/expand forming sequence demonstrate the robustness of the modified PEPS fracture theory for the condition with nonlinear forming paths and accurately predicts the onset of failure. The proposed methods can be widely used for predicting failure for the examples which undergo nonlinear strain path including rigid-packaging and automotive forming.

Evidence of displacement-driven maturation along the San Cristobal Trough transform plate boundary

NASA Astrophysics Data System (ADS)

Neely, James S.; Furlong, Kevin P.

2018-03-01

The San Cristobal Trough (SCT), formed by the tearing of the Australia plate as it subducts under the Pacific plate near the Solomon Islands, provides an opportunity to study the transform boundary development process. Recent seismicity (2013-2016) along the 280 km long SCT, known as a Subduction-Transform Edge Propagator (STEP) fault, highlights the tearing process and ongoing development of the plate boundary. The region's earthquakes reveal two key characteristics. First, earthquakes at the western terminus of the SCT, which we interpret to indicate the Australia plate tearing, display disparate fault geometries. These events demonstrate that plate tearing is accommodated via multiple intersecting planes rather than a single through-going fault. Second, the SCT hosts sequences of Mw ∼7 strike-slip earthquakes that migrate westward through a rapid succession of events. Sequences in 1993 and 2015 both began along the eastern SCT and propagated west, but neither progression ruptured into or nucleated a large earthquake within the region near the tear. Utilizing b-value and Coulomb Failure Stress analyses, we examine these along-strike variations in the SCT's seismicity. b-Values are highest along the youngest, western end of the SCT and decrease with increasing distance from the tear. This trend may reflect increasing strain localization with increasing displacement. Coulomb Failure Stress analyses indicate that the stress conditions were conducive to continued western propagation of the 1993 and 2015 sequences suggesting that the unruptured western SCT may have fault geometries or properties that inhibit continued rupture. Our results indicate a displacement-driven fault maturation process. The multi-plane Australia plate tearing likely creates a western SCT with diffuse strain accommodated along a network of disorganized faults. After ∼90 km of cumulative displacement (∼900,000 yr of plate motion), strain localizes and faults align, allowing the SCT to host large earthquakes.

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

Tracy, Patrick J.; Kasper, Justin C.; Zurbuchen, Thomas H.

Observations of velocity distribution functions from the Advanced Composition Explorer/Solar Wind Ion Composition Spectrometer heavy ion composition instrument are used to calculate ratios of kinetic temperature and Coulomb collisional interactions of an unprecedented 50 ion species in the solar wind. These ions cover a mass per charge range of 1–5.5 amu/e and were collected in the time range of 1998–2011. We report the first calculation of the Coulomb thermalization rate between each of the heavy ion (A > 4 amu) species present in the solar wind along with protons (H{sup +}) and alpha particles (He{sup 2+}). From these rates, wemore » find that protons are the dominant source of Coulomb collisional thermalization for heavy ions in the solar wind and use this fact to calculate a collisional age for those heavy ion populations. The heavy ion thermal properties are well organized by this collisional age, but we find that the temperature of all heavy ions does not simply approach that of protons as Coulomb collisions become more important. We show that He{sup 2+} and C{sup 6+} follow a monotonic decay toward equal temperatures with protons with increasing collisional age, but O{sup 6+} shows a noted deviation from this monotonic decay. Furthermore, we show that the deviation from monotonic decay for O{sup 6+} occurs in solar wind of all origins, as determined by its Fe/O ratio. The observed differences in heavy ion temperature behavior point toward a local heating mechanism that favors ions depending on their charge and mass.« less

Nonperturbative vacuum polarization effects in two-dimensional supercritical Dirac-Coulomb system II. Vacuum energy

NASA Astrophysics Data System (ADS)

Davydov, A.; Sveshnikov, K.; Voronina, Yu.

2018-01-01

Nonperturbative vacuum polarization effects are explored for a supercritical Dirac-Coulomb system with Z > Zcr,1 in 2+1D, based on the original combination of analytical methods, computer algebra and numerical calculations, proposed recently in Refs. 1-3. Both the vacuum charge density ρV P(r→) and vacuum energy ℰV P are considered. Due to a lot of details of calculation the whole work is divided into two parts I and II. Taking account of results, obtained in the part I4 for ρV P, in the present part II, the evaluation of the vacuum energy ℰV P is investigated with emphasis on the renormalization and convergence of the partial expansion for ℰV P. It is shown that the renormalization via fermionic loop turns out to be the universal tool, which removes the divergence of the theory both in the purely perturbative and essentially nonperturbative regimes of the vacuum polarization. The main result of calculation is that for a wide range of the system parameters in the overcritical region ℰV P turns out to be a rapidly decreasing function ˜-ηeffZ3/R with ηeff > 0 and R being the size of the external Coulomb source. To the end the similarity in calculations of ℰV P in 2+1 and 3+1D is discussed, and qualitative arguments are presented in favor of the possibility for complete screening of the classical electrostatic energy of the Coulomb source by the vacuum polarization effects for Z ≫ Zcr,1 in 3+1D.

Correlated scattering states of N-body Coulomb systems

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

Berakdar, J.

1997-03-01

For N charged particles of equal masses moving in the field of a heavy residual charge, an approximate analytical solution of the many-body time-independent Schr{umlt o}dinger equation is derived at a total energy above the complete fragmentation threshold. All continuum particles are treated on equal footing. The proposed correlated wave function represents, to leading order, an exact solution of the many-body Schr{umlt o}dinger equation in the asymptotic region defined by large interparticle separations. Thus, in this asymptotic region the N-body Coulomb modifications to the plane-wave motion of free particles are rigorously estimated. It is shown that the Kato cusp conditionsmore » are satisfied by the derived wave function at all two-body coalescence points. An expression of the normalization of this wave function is also given. To render possible the calculations of scattering amplitudes for transitions leading to a four-body scattering state, an effective-charge method is suggested in which the correlations between the continuum particles are completely subsumed into effective interactions with the residual charge. Analytical expressions for these effective interactions are derived and discussed for physical situations. {copyright} {ital 1997} {ital The American Physical Society}« less

The Sternheimer-GW method and the spectral signatures of plasmonic polarons

NASA Astrophysics Data System (ADS)

Giustino, Feliciano

During the past three decades the GW method has emerged among the most promising electronic structure techniques for predictive calculations of quasiparticle band structures. In order to simplify the GW work-flow while at the same time improving the calculation accuracy, we developed the Sternheimer-GW method. In Sternheimer-GW both the screened Coulomb interaction and the electron Green's function are evaluated by using exclusively occupied Kohn-Sham states, as in density-functional perturbation theory. In this talk I will review the basics of Sternheimer-GW, and I will discuss two recent applications to semiconductors and superconductors. In the case of semiconductors we calculated complete energy- and momentum-resolved spectral functions by combining Sternheimer-GW with the cumulant expansion approach. This study revealed the existence of band structure replicas which arise from electron-plasmon interactions. In the case of superconductors we calculated the Coulomb pseudo-potential from first principles, and combined this approach with the Eliashberg theory of the superconducting critical temperature. This work was supported by the Leverhulme Trust (RL-2012-001), the European Research Council (EU FP7/ERC 239578), the UK Engineering and Physical Sciences Research Council (EP/J009857/1), and the Graphene Flagship (EU FP7/604391).

Photoionization of furan from the ground and excited electronic states.

PubMed

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

2016-02-28

Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

An efficient basis set representation for calculating electrons in molecules

DOE PAGES

Jones, Jeremiah R.; Rouet, Francois -Henry; Lawler, Keith V.; ...

2016-04-27

The method of McCurdy, Baertschy, and Rescigno, is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. Themore » calculation of contracted two-electron matrix elements among orbitals requires only O( Nlog (N)) multiplication operations, not O( N 4), where N is the number of basis functions; N = n 3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He +, H + 2), 2- (H 2, He), 10- (CH 4), and 56-electron (C 8H 8) systems.« less

Three component plasma electron distribution in the intermediate ionized coma of Comet Giacobini-Zinner

NASA Astrophysics Data System (ADS)

Zwickl, R. D.; Baker, D. N.; Bame, S. J.; Feldman, W. C.; Fuselier, S. A.; Huebner, W. F.; McComas, D. J.; Young, D. T.

1986-04-01

The observation of three distinct components of the electron distribution function measured in the intermediate ionized coma (IIC) and plasma tail of Comet Giacobini-Zinner is reported. It is believed that the cold component represents electrons produced close to the comet nucleus by ionization of cometary matter and subsequent cooling by Coulomb collisions. The second component also appears to be composed of electrons produced by photoionization of cometary neutrals, but sufficiently far from the nucleus that the distributions are largely unaffected by Coulomb interactions. The hot component is probably a population of electrons originating in the solar wind. Throughout the IIC, the electrostatic potential of the spacecraft was very low (less than 0.8 eV), implying that ICE generated very little impact-produced plasma during its passage.

Directly calculated electrical conductivity of hot dense hydrogen from molecular dynamics simulation beyond Kubo-Greenwood formula

NASA Astrophysics Data System (ADS)

Ma, Qian; Kang, Dongdong; Zhao, Zengxiu; Dai, Jiayu

2018-01-01

Electrical conductivity of hot dense hydrogen is directly calculated by molecular dynamics simulation with a reduced electron force field method, in which the electrons are represented as Gaussian wave packets with fixed sizes. Here, the temperature is higher than electron Fermi temperature ( T > 300 eV , ρ = 40 g / cc ). The present method can avoid the Coulomb catastrophe and give the limit of electrical conductivity based on the Coulomb interaction. We investigate the effect of ion-electron coupled movements, which is lost in the static method such as density functional theory based Kubo-Greenwood framework. It is found that the ionic dynamics, which contributes to the dynamical electrical microfield and electron-ion collisions, will reduce the conductivity significantly compared with the fixed ion configuration calculations.

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

NASA Astrophysics Data System (ADS)

Xie, L. Y.; Wang, J. G.; Janev, R. K.

2014-06-01

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl →ɛ,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels. The relativistic effects are studied in the photoionization of Fe25+ ion, as an example.

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

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

Xie, L. Y.; Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009-26, Beijing 100088; Wang, J. G.

2014-06-15

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl→ε,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels.more » The relativistic effects are studied in the photoionization of Fe{sup 25+} ion, as an example.« less

Shot Noise in a Quantum Dot with the Finite Coulomb Interaction

NASA Astrophysics Data System (ADS)

Cao, Xian-Sheng

2011-09-01

We study the shot noise in a quantum dot which coupled to metallic leads using the equation of motion of nonequilibrium Green's function technique at Kondo temperature T K . We compute the out of equilibrium density of states, the current and the shot noise. We find that the value of shot noise in the finite coulomb interaction case is smaller than one at Kondo temperature T K when variation of ɛ d values of the QD energy in the absence of the external magnetic field. We also find that the values of S(0)/ V are almost insusceptible to U when eV d under 2, while the values of S(0)/ V appear slightly branch off when the value of eV d approach to 6.

Borromean Windows for Three-Particle Systems under Screened Coulomb Interactions

NASA Astrophysics Data System (ADS)

Jiang, Zi-Shi; Song, Xiu-Dan; Zhou, Lin; Kar, Sabyasachi

2017-05-01

We have carried out calculations to search Borromean windows (BWs) for 11 different three-body systems interacting with screened Coulomb (Yukawa-type) potentials using Hylleraas-type wave functions within the framework of a variational approach. The critical values of the screening parameters for the ground states of the systems under consideration are reported for which the three-body systems are stable, while all the possible fragments are unbound; that is, it shows windows for Borromean binding. Supported by the National Natural Science Foundation of China under Grant No. 11304086, the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province of China under Grant No. UNPYSCT-2015019, and the Natural Science Foundation for Distinguished Young Scholars in Heilongjiang University under Grant No. JCL201503

Coulomb Failure Stress Accumulation in Nepal After the 2015 Mw 7.8 Gorkha Earthquake: Testing Earthquake Triggering Hypothesis and Evaluating Seismic Hazards

NASA Astrophysics Data System (ADS)

Xiong, N.; Niu, F.

2017-12-01

A Mw 7.8 earthquake struck Gorkha, Nepal, on April 5, 2015, resulting in more than 8000 deaths and 3.5 million homeless. The earthquake initiated 70km west of Kathmandu and propagated eastward, rupturing an area of approximately 150km by 60km in size. However, the earthquake failed to fully rupture the locked fault beneath the Himalaya, suggesting that the region south of Kathmandu and west of the current rupture are still locked and a much more powerful earthquake might occur in future. Therefore, the seismic hazard of the unruptured region is of great concern. In this study, we investigated the Coulomb failure stress (CFS) accumulation on the unruptured fault transferred by the Gorkha earthquake and some nearby historical great earthquakes. First, we calculated the co-seismic CFS changes of the Gorkha earthquake on the nodal planes of 16 large aftershocks to quantitatively examine whether they were brought closer to failure by the mainshock. It is shown that at least 12 of the 16 aftershocks were encouraged by an increase of CFS of 0.1-3 MPa. The correspondence between the distribution of off-fault aftershocks and the increased CFS pattern also validates the applicability of the earthquake triggering hypothesis in the thrust regime of Nepal. With the validation as confidence, we calculated the co-seismic CFS change on the locked region imparted by the Gorkha earthquake and historical great earthquakes. A newly proposed ramp-flat-ramp-flat fault geometry model was employed, and the source parameters of historical earthquakes were computed with the empirical scaling relationship. A broad region south of the Kathmandu and west of the current rupture were shown to be positively stressed with CFS change roughly ranging between 0.01 and 0.5 MPa. The maximum of CFS increase (>1MPa) was found in the updip segment south of the current rupture, implying a high seismic hazard. Since the locked region may be additionally stressed by the post-seismic relaxation of the lower crust and upper mantle due to the historical great earthquakes, further researches incorporating post-seismic CFS change are expected if the rheological constraint of the studied region is available.

Electronic spectrum of trilayer graphene

NASA Astrophysics Data System (ADS)

Kumar, S.; Ajay

2014-08-01

Present work deals with the analysis of the single particle electronic spectral function in trilayer (ABC-, ABA- and AAA-stacked) graphene. Tight binding Hamiltonian containing intralayer nearest-neighbor and next-nearest neighbor hopping along-with the interlayer coupling parameter within two triangular sub-lattice approach for trilayer graphene has been employed. The expression of single particle spectral functions A(kw) is obtained within mean-field Green's function equations of motion approach. Spectral function at Γ, M and K points of the Brillouin zone has been numerically computed. It is pointed out that the nature of electronic states at different points of Brillouin zone is found to be influenced by stacking order and Coulomb interactions. At Γ and M points, a trilayer splitting is predicted while at K point a bilayer splitting effect is observed due to crossing of two bands (at K point). Interlayer coupling ( t_{ bot } ) is found to be responsible for the splitting of quasi-particle peaks at each point of Brillouin zone. The influence of t_{ bot } in trilayer graphene is prominent for AAA-stacking compared to ABC- and ABA-stacking. On the other hand, onsite Coulomb interaction reduces the trilayer splitting effect into bilayer splitting at Γ and M points of Brillouin zone and bilayer splitting into single peak spectral function at K point with a shifting of the peak away from Fermi level.

Numerical Analysis of AHSS Fracture in a Stretch-bending Test

NASA Astrophysics Data System (ADS)

Luo, Meng; Chen, Xiaoming; Shi, Ming F.; Shih, Hua-Chu

2010-06-01

Advanced High Strength Steels (AHSS) are increasingly used in the automotive industry due to their superior strength and substantial weight reduction advantage. However, their limited ductility gives rise to numerous manufacturing issues. One of them is the so-called `shear fracture' often observed on tight radii during stamping processes. Since traditional approaches, such as the Forming Limit Diagram (FLD), are unable to predict this type of fracture, efforts have been made to develop failure criteria that can predict shear fractures. In this paper, a recently developed Modified Mohr-Coulomb (MMC) ductile fracture criterion[1] is adopted to analyze the failure behavior of a Dual Phase (DP) steel sheet during stretch bending operations. The plasticity and ductile fracture of the present sheet are fully characterized by the Hill'48 orthotropic model and the MMC fracture model respectively. Finite Element models with three different element types (3D, shell and plane strain) were built for a Stretch Forming Simulator (SFS) test and numerical simulations with four different R/t ratios (die radius normalized by sheet thickness) were performed. It has been shown that the 3D and shell element models can accurately predict the failure location/mode, the upper die load-displacement responses as well as the wall stress and wrap angle at the onset of fracture for all R/t ratios. Furthermore, a series of parametric studies were conducted on the 3D element model, and the effects of tension level (clamping distance) and tooling friction on the failure modes/locations were investigated.

Tectonic implications and seismicity triggering during the 2008 Baluchistan, Pakistan earthquake sequence

NASA Astrophysics Data System (ADS)

Yadav, R. B. S.; Gahalaut, V. K.; Chopra, Sumer; Shan, Bin

2012-02-01

A damaging and widely felt moderate earthquake (Mw 6.4) hit the rural, mountainous region of southwestern Pakistan on October 28, 2008. The main shock was followed by another earthquake of identical magnitude (Mw 6.4) on the next day. The spatial distribution of aftershocks and focal mechanism revealed a NW-SE striking rupture with right-lateral strike-slip motion which is sympathetic to the NNW-SSE striking active mapped Urghargai Fault. The occurrence of strike-slip earthquakes suggests that along with the thrust faults, strike slip faults too are present beneath the fold-and-thrust belt of Sulaiman-Kirthar ranges and accommodates some of the relative motion of the Indian and Eurasian plates. To assess the characteristics of this sequence, the statistical parameters like aftershocks temporal decay, b-value of G-R relationship, partitioning of radiated seismic energy due to aftershocks, and spatial fractal dimension (D-value) have been examined. The b-value is estimated as 1.03 ± 0.42 and suggests the tectonic genesis of the sequence and crustal heterogeneity within rock mass. The low p-value of 0.89 ± 0.07 implies slow decay of aftershocks activity which is probably an evidence for low surface heat flow. A value of spatial fractal dimension of 2.08 ± 0.02 indicates random spatial distribution and that the source is a two-dimensional plane filled-up by fractures. The static coseismic Coulomb stress changes due to the foreshock (Mw 5.3) were found to increase stress by more than 0.04 bars at the hypocenter of the main shock, thus promoting the failure. The cumulative coseismic Coulomb stress changes due to the foreshock and mainshocks suggest that most of the aftershocks occurred in the region of increased Coulomb stress, and to the SE to the mainshock rupture.

The 1911 M ~6.6 Calaveras earthquake: Source parameters and the role of static, viscoelastic, and dynamic coulomb stress changes imparted by the 1906 San Francisco earthquake

USGS Publications Warehouse

Doser, D.I.; Olsen, K.B.; Pollitz, F.F.; Stein, R.S.; Toda, S.

2009-01-01

The occurrence of a right-lateral strike-slip earthquake in 1911 is inconsistent with the calculated 0.2-2.5 bar static stress decrease imparted by the 1906 rupture at that location on the Calaveras fault, and 5 yr of calculated post-1906 viscoelastic rebound does little to reload the fault. We have used all available first-motion, body-wave, and surface-wave data to explore possible focal mechanisms for the 1911 earthquake. We find that the event was most likely a right-lateral strikeslip event on the Calaveras fault, larger than, but otherwise resembling, the 1984 Mw 6.1 Morgan Hill earthquake in roughly the same location. Unfortunately, we could recover no unambiguous surface fault offset or geodetic strain data to corroborate the seismic analysis despite an exhaustive archival search. We calculated the static and dynamic Coulomb stress changes for three 1906 source models to understand stress transfer to the 1911 site. In contrast to the static stress shadow, the peak dynamic Coulomb stress imparted by the 1906 rupture promoted failure at the site of the 1911 earthquake by 1.4-5.8 bar. Perhaps because the sample is small and the aftershocks are poorly located, we find no correlation of 1906 aftershock frequency or magnitude with the peak dynamic stress, although all aftershocks sustained a calculated dynamic stress of ???3 bar. Just 20 km to the south of the 1911 epicenter, we find that surface creep of the Calaveras fault at Hollister paused for ~17 yr after 1906, about the expected delay for the calculated static stress drop imparted by the 1906 earthquake when San Andreas fault postseismic creep and viscoelastic relaxation are included. Thus, the 1911 earthquake may have been promoted by the transient dynamic stresses, while Calaveras fault creep 20 km to the south appears to have been inhibited by the static stress changes.

Sensitivity of electrospray molecular dynamics simulations to long-range Coulomb interaction models

NASA Astrophysics Data System (ADS)

Mehta, Neil A.; Levin, Deborah A.

2018-03-01

Molecular dynamics (MD) electrospray simulations of 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM-BF4) ion liquid were performed with the goal of evaluating the influence of long-range Coulomb models on ion emission characteristics. The direct Coulomb (DC), shifted force Coulomb sum (SFCS), and particle-particle particle-mesh (PPPM) long-range Coulomb models were considered in this work. The DC method with a sufficiently large cutoff radius was found to be the most accurate approach for modeling electrosprays, but, it is computationally expensive. The Coulomb potential energy modeled by the DC method in combination with the radial electric fields were found to be necessary to generate the Taylor cone. The differences observed between the SFCS and the DC in terms of predicting the total ion emission suggest that the former should not be used in MD electrospray simulations. Furthermore, the common assumption of domain periodicity was observed to be detrimental to the accuracy of the capillary-based electrospray simulations.

Sensitivity of electrospray molecular dynamics simulations to long-range Coulomb interaction models.

PubMed

Mehta, Neil A; Levin, Deborah A

2018-03-01

Molecular dynamics (MD) electrospray simulations of 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM-BF_{4}) ion liquid were performed with the goal of evaluating the influence of long-range Coulomb models on ion emission characteristics. The direct Coulomb (DC), shifted force Coulomb sum (SFCS), and particle-particle particle-mesh (PPPM) long-range Coulomb models were considered in this work. The DC method with a sufficiently large cutoff radius was found to be the most accurate approach for modeling electrosprays, but, it is computationally expensive. The Coulomb potential energy modeled by the DC method in combination with the radial electric fields were found to be necessary to generate the Taylor cone. The differences observed between the SFCS and the DC in terms of predicting the total ion emission suggest that the former should not be used in MD electrospray simulations. Furthermore, the common assumption of domain periodicity was observed to be detrimental to the accuracy of the capillary-based electrospray simulations.

The Coulomb based magneto-electric coupling in multiferroic tunnel junctions and granular multiferroics

NASA Astrophysics Data System (ADS)

Udalov, O. G.; Beloborodov, I. S.

2018-05-01

We study magneto-electric effect in two systems: i) multiferroic tunnel junction (MFTJ) - magnetic tunnel junction with ferroelectric barrier and ii) granular multiferroic (GMF) in which ferromagnetic (FM) metallic grains embedded into ferroelectric matrix. We show that the Coulomb interaction influences the magnetic state of the system in several ways: i) through the spin-dependent part of the Coulomb interaction; ii) due to the Coulomb blockade effect suppressing electron hopping and therefore reducing magnetic coupling; and iii) through image forces and polarization screening that modify the barrier for electrons in MFTJ and GMF. We show that in the absence of spin-orbit or strain-mediated coupling magneto-electric effect appears in GMF and MFTJ. The Coulomb interaction depends on the dielectric properties of the system. For GMF it depends on the dielectric constant of FE matrix and for MFTJ on the dielectric constant of the FE barrier. Applying external electric field one can tune the dielectric constant and the Coulomb interaction. Thus, one can control magnetic state with electric field.

Why earthquakes correlate weakly with the solid Earth tides: Effects of periodic stress on the rate and probability of earthquake occurrence

USGS Publications Warehouse

Beeler, N.M.; Lockner, D.A.

2003-01-01

We provide an explanation why earthquake occurrence does not correlate well with the daily solid Earth tides. The explanation is derived from analysis of laboratory experiments in which faults are loaded to quasiperiodic failure by the combined action of a constant stressing rate, intended to simulate tectonic loading, and a small sinusoidal stress, analogous to the Earth tides. Event populations whose failure times correlate with the oscillating stress show two modes of response; the response mode depends on the stressing frequency. Correlation that is consistent with stress threshold failure models, e.g., Coulomb failure, results when the period of stress oscillation exceeds a characteristic time tn; the degree of correlation between failure time and the phase of the driving stress depends on the amplitude and frequency of the stress oscillation and on the stressing rate. When the period of the oscillating stress is less than tn, the correlation is not consistent with threshold failure models, and much higher stress amplitudes are required to induce detectable correlation with the oscillating stress. The physical interpretation of tn is the duration of failure nucleation. Behavior at the higher frequencies is consistent with a second-order dependence of the fault strength on sliding rate which determines the duration of nucleation and damps the response to stress change at frequencies greater than 1/tn. Simple extrapolation of these results to the Earth suggests a very weak correlation of earthquakes with the daily Earth tides, one that would require >13,000 earthquakes to detect. On the basis of our experiments and analysis, the absence of definitive daily triggering of earthquakes by the Earth tides requires that for earthquakes, tn exceeds the daily tidal period. The experiments suggest that the minimum typical duration of earthquake nucleation on the San Andreas fault system is ???1 year.

Experimental Characteristics of Dry Stack Masonry under Compression and Shear Loading

PubMed Central

Lin, Kun; Totoev, Yuri Zarevich; Liu, Hongjun; Wei, Chunli

2015-01-01

The behavior of dry stack masonry (DSM) is influenced by the interaction of the infill with the frame (especially the joints between bricks), which requires further research. This study investigates the compression and shear behaviors of DSM. First, a series of compression tests were carried out on both masonry prism with mortar (MP_m) and DSM prism (MP_ds). The failure mode of each prism was determined. Different from the MP_m, the stress-strain relationship of the MP_ds was characterized by an upward concavity at the initial stage. The compression strength of the MP_ds was slightly reduced by 15%, while the elastic modulus was reduced by over 62%. In addition, 36 shear-compression tests were carried out under cyclic loads to emphasize the influence of various loads on the shear-compression behavior of DSM. The results showed that the Mohr-Coulomb friction law adequately represents the failure of dry joints at moderate stress levels, and the varying friction coefficients under different load amplitudes cannot be neglected. The experimental setup and results are valuable for further research. PMID:28793741

Experimental Characteristics of Dry Stack Masonry under Compression and Shear Loading.

PubMed

Lin, Kun; Totoev, Yuri Zarevich; Liu, Hongjun; Wei, Chunli

2015-12-12

The behavior of dry stack masonry (DSM) is influenced by the interaction of the infill with the frame (especially the joints between bricks), which requires further research. This study investigates the compression and shear behaviors of DSM. First, a series of compression tests were carried out on both masonry prism with mortar (MP_m) and DSM prism (MP_ds). The failure mode of each prism was determined. Different from the MP_m, the stress-strain relationship of the MP_ds was characterized by an upward concavity at the initial stage. The compression strength of the MP_ds was slightly reduced by 15%, while the elastic modulus was reduced by over 62%. In addition, 36 shear-compression tests were carried out under cyclic loads to emphasize the influence of various loads on the shear-compression behavior of DSM. The results showed that the Mohr-Coulomb friction law adequately represents the failure of dry joints at moderate stress levels, and the varying friction coefficients under different load amplitudes cannot be neglected. The experimental setup and results are valuable for further research.

12 May 2008 M = 7.9 Wenchuan, China, earthquake calculated to increase failure stress and seismicity rate on three major fault systems

USGS Publications Warehouse

Toda, S.; Lin, J.; Meghraoui, M.; Stein, R.S.

2008-01-01

The Wenchuan earthquake on the Longmen Shan fault zone devastated cities of Sichuan, claiming at least 69,000 lives. We calculate that the earthquake also brought the Xianshuihe, Kunlun and Min Jiang faults 150-400 km from the mainshock rupture in the eastern Tibetan Plateau 0.2-0.5 bars closer to Coulomb failure. Because some portions of these stressed faults have not ruptured in more than a century, the earthquake could trigger or hasten additional M > 7 earthquakes, potentially subjecting regions from Kangding to Daofu and Maqin to Rangtag to strong shaking. We use the calculated stress changes and the observed background seismicity to forecast the rate and distribution of damaging shocks. The earthquake probability in the region is estimated to be 57-71% for M ??? 6 shocks during the next decade, and 8-12% for M ??? 7 shocks. These are up to twice the probabilities for the decade before the Wenchuan earthquake struck. Copyright 2008 by the American Geophysical Union.

Known-to-Unknown Approach to Teach about Coulomb's Law

ERIC Educational Resources Information Center

Thamburaj, P. K.

2007-01-01

Analogies from life experiences help students understand various relationships presented in an introductory chemistry course. Coulomb's law is a complex relationship encountered in introductory general chemistry. A proper understanding of the relationships between the quantities involved in Coulomb's law is necessary in order for students to…

Anomalous Seismic Radiation in the Shallow Subduction Zone Explained by Extensive Poroplastic Deformation in the Overriding Wedge

NASA Astrophysics Data System (ADS)

Hirakawa, E. T.; Ma, S.

2012-12-01

The deficiency of high-frequency seismic radiation from shallow subduction zone earthquakes was first recognized in tsunami earthquakes (Kanamori, 1972), which produce larger tsunamis than expected from short-period (20 s) surface wave excitation. Shallow subduction zone earthquakes were also observed to have unusually low energy-to-moment ratios compared to regular subduction zone earthquakes (e.g., Newman and Okal, 1998; Venkataraman and Kanamori, 2004; Lay et al., 2012). What causes this anomalous radiation and how it relates to large tsunami generation has remained unclear. Here we show that these anomalous observations can be due to extensive poroplastic deformation in the overriding wedge, which provides a unifying interpretation. Ma (2012) showed that the pore pressure increase in the wedge due to up-dip rupture propagation significantly weakens the wedge, leading to widespread Coulomb failure in the wedge. Widespread failure gives rise to slow rupture velocity and large seafloor uplift (landward from the trench) in the case of a shallow fault dip. Here we extend this work and demonstrate that the large seafloor uplift due to the poroplastic deformation significantly dilates the fault behind the rupture front, which reduces the normal stress on the fault and increases the stress drop, slip, and rupture duration. The spectral amplitudes of the moment-rate time function is significantly less at high frequencies than those from elastic simulations. Large tsunami generation and deficiency of high-frequency radiation are thus two consistent manifestations of the same mechanism (poroplastic deformation). Although extensive poroplastic deformation in the wedge represents a significant portion of total seismic moment release, the plastic deformation is shown to act as a large energy sink, leaving less energy to be radiated and leading to low energy-to-moment ratios as observed for shallow subduction zone earthquakes.

Numerical Modeling of Earthquake-Induced Landslide Using an Improved Discontinuous Deformation Analysis Considering Dynamic Friction Degradation of Joints

NASA Astrophysics Data System (ADS)

Huang, Da; Song, Yixiang; Cen, Duofeng; Fu, Guoyang

2016-12-01

Discontinuous deformation analysis (DDA) as an efficient technique has been extensively applied in the dynamic simulation of discontinuous rock mass. In the original DDA (ODDA), the Mohr-Coulomb failure criterion is employed as the judgment principle of failure between contact blocks, and the friction coefficient is assumed to be constant in the whole calculation process. However, it has been confirmed by a host of shear tests that the dynamic friction of rock joints degrades. Therefore, the friction coefficient should be gradually reduced during the numerical simulation of an earthquake-induced rockslide. In this paper, based on the experimental results of cyclic shear tests on limestone joints, exponential regression formulas are fitted for dynamic friction degradation, which is a function of the relative velocity, the amplitude of cyclic shear displacement and the number of its cycles between blocks with an edge-to-edge contact. Then, an improved DDA (IDDA) is developed by implementing the fitting regression formulas and a modified removing technique of joint cohesion, in which the cohesion is removed once the `sliding' or `open' state between blocks appears for the first time, into the ODDA. The IDDA is first validated by comparing with the theoretical solutions of the kinematic behaviors of a sliding block on an inclined plane under dynamic loading. Then, the program is applied to model the Donghekou landslide triggered by the 2008 Wenchuan earthquake in China. The simulation results demonstrate that the dynamic friction degradation of joints has great influences on the runout and velocity of sliding mass. Moreover, the friction coefficient possesses higher impact than the cohesion of joints on the kinematic behaviors of the sliding mass.

Signal processing and neural network toolbox and its application to failure diagnosis and prognosis

NASA Astrophysics Data System (ADS)

Tu, Fang; Wen, Fang; Willett, Peter K.; Pattipati, Krishna R.; Jordan, Eric H.

2001-07-01

Many systems are comprised of components equipped with self-testing capability; however, if the system is complex involving feedback and the self-testing itself may occasionally be faulty, tracing faults to a single or multiple causes is difficult. Moreover, many sensors are incapable of reliable decision-making on their own. In such cases, a signal processing front-end that can match inference needs will be very helpful. The work is concerned with providing an object-oriented simulation environment for signal processing and neural network-based fault diagnosis and prognosis. In the toolbox, we implemented a wide range of spectral and statistical manipulation methods such as filters, harmonic analyzers, transient detectors, and multi-resolution decomposition to extract features for failure events from data collected by data sensors. Then we evaluated multiple learning paradigms for general classification, diagnosis and prognosis. The network models evaluated include Restricted Coulomb Energy (RCE) Neural Network, Learning Vector Quantization (LVQ), Decision Trees (C4.5), Fuzzy Adaptive Resonance Theory (FuzzyArtmap), Linear Discriminant Rule (LDR), Quadratic Discriminant Rule (QDR), Radial Basis Functions (RBF), Multiple Layer Perceptrons (MLP) and Single Layer Perceptrons (SLP). Validation techniques, such as N-fold cross-validation and bootstrap techniques, are employed for evaluating the robustness of network models. The trained networks are evaluated for their performance using test data on the basis of percent error rates obtained via cross-validation, time efficiency, generalization ability to unseen faults. Finally, the usage of neural networks for the prediction of residual life of turbine blades with thermal barrier coatings is described and the results are shown. The neural network toolbox has also been applied to fault diagnosis in mixed-signal circuits.

Regulation of landslide motion by dilatancy and pore pressure feedback

USGS Publications Warehouse

Iverson, R.M.

2005-01-01

A new mathematical model clarifies how diverse styles and rates of landslide motion can result from regulation of Coulomb friction by dilation or contraction of water-saturated basal shear zones. Normalization of the model equations shows that feedback due to coupling between landslide motion, shear zone volume change, and pore pressure change depends on a single dimensionless parameter ??, which, in turn, depends on the dilatancy angle ?? and the intrinsic timescales for pore pressure generation and dissipation. If shear zone soil contracts during slope failure, then ?? 0, and negative feedback permits slow, steady landslide motion to occur while positive pore pressure is supplied by rain infiltration. Steady state slip velocities v0 obey v0 = -(K/??) p*e, where K is the hydraulic conductivity and p*e is the normalized (dimensionless) negative pore pressure generated by dilation. If rain infiltration and attendant pore pressure growth continue unabated, however, their influence ultimately overwhelms the stabilizing influence of negative p*e. Then, unbounded landslide acceleration occurs, accentuated by an instability that develops if ?? diminishes as landslide motion proceeds. Nonetheless, numerical solutions of the model equations show that slow, nearly steady motion of a clay-rich landslide may persist for many months as a result of negative pore pressure feedback that regulates basal Coulomb friction. Similarly stabilized motion is less likely to occur in sand-rich landslides that are characterized by weaker negative feedback.

Coulomb-Driven Relativistic Electron Beam Compression

NASA Astrophysics Data System (ADS)

Lu, Chao; Jiang, Tao; Liu, Shengguang; Wang, Rui; Zhao, Lingrong; Zhu, Pengfei; Xiang, Dao; Zhang, Jie

2018-01-01

Coulomb interaction between charged particles is a well-known phenomenon in many areas of research. In general, the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific facilities such as ultrafast electron diffraction and x-ray free-electron lasers. Here we demonstrate a scheme that actually makes use of the Coulomb force to compress a relativistic electron beam. Furthermore, we show that the Coulomb-driven bunch compression process does not introduce additional timing jitter, which is in sharp contrast to the conventional radio-frequency buncher technique. Our work not only leads to enhanced temporal resolution in electron-beam-based ultrafast instruments that may provide new opportunities in probing material systems far from equilibrium, but also opens a promising direction for advanced beam manipulation through self-field interactions.

Coulomb-Driven Relativistic Electron Beam Compression.

PubMed

Lu, Chao; Jiang, Tao; Liu, Shengguang; Wang, Rui; Zhao, Lingrong; Zhu, Pengfei; Xiang, Dao; Zhang, Jie

2018-01-26

Coulomb interaction between charged particles is a well-known phenomenon in many areas of research. In general, the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific facilities such as ultrafast electron diffraction and x-ray free-electron lasers. Here we demonstrate a scheme that actually makes use of the Coulomb force to compress a relativistic electron beam. Furthermore, we show that the Coulomb-driven bunch compression process does not introduce additional timing jitter, which is in sharp contrast to the conventional radio-frequency buncher technique. Our work not only leads to enhanced temporal resolution in electron-beam-based ultrafast instruments that may provide new opportunities in probing material systems far from equilibrium, but also opens a promising direction for advanced beam manipulation through self-field interactions.

Deuteron Coulomb Excitation in Peripheral Collisions with a Heavy Ion

NASA Astrophysics Data System (ADS)

Du, Weijie; Yin, Peng; Li, Yang; Chen, Guangyao; Zuo, Wei; Zhao, Xingbo; Vary, James P.

2017-09-01

We develop an ab initio time-dependent Basis Function (tBF) method to solve non-perturbative and time-dependent problems in non-relativistic quantum mechanics. As a test problem, we apply this method to the Coulomb excitation of a deuteron by an impinging heavy ion. We employ wave functions for the bound and excited states of the deuterium system based on a realistic nucleon-nucleon interaction and study the evolution of the transition probability, the r.m.s. radius and the r.m.s. momentum of the system during the scattering process. The dependencies of these quantities on the external field strength and the bombarding energy are also analyzed and compared to corresponding results obtained from first-order perturbation theory. The time evolution of both the charge and the momentum distributions is shown. This work was supported in part by the U. S. Department of Energy (DOE) under Grants No. DESC0008485 (SciDAC/NUCLEI) and DE-FG02-87ER40371. W. Zuo and P. Yin are supported by the National Natural Science Foundation of China (11435014).

Density functional theory fragment descriptors to quantify the reactivity of a molecular family: application to amino acids.

PubMed

Senet, P; Aparicio, F

2007-04-14

By using the exact density functional theory, one demonstrates that the value of the local electronic softness of a molecular fragment is directly related to the polarization charge (Coulomb hole) induced by a test electron removed (or added) from (at) the fragment. Our finding generalizes to a chemical group a formal relation between these molecular descriptors recently obtained for an atom in a molecule using an approximate atomistic model [P. Senet and M. Yang, J. Chem. Sci. 117, 411 (2005)]. In addition, a practical ab initio computational scheme of the Coulomb hole and related local descriptors of reactivity of a molecular family having in common a similar fragment is presented. As a blind test, the method is applied to the lateral chains of the 20 isolated amino acids. One demonstrates that the local softness of the lateral chain is a quantitative measure of the similarity of the amino acids. It predicts the separation of amino acids in different biochemical groups (aliphatic, basic, acidic, sulfur contained, and aromatic). The present approach may find applications in quantitative structure activity relationship methodology.

Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system.

PubMed

Fukuda, Ikuo

2013-11-07

The zero-multipole summation method has been developed to efficiently evaluate the electrostatic Coulombic interactions of a point charge system. This summation prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large amounts of energetic noise and significant artifacts. The resulting energy function is represented by a constant term plus a simple pairwise summation, using a damped or undamped Coulombic pair potential function along with a polynomial of the distance between each particle pair. Thus, the implementation is straightforward and enables facile applications to high-performance computations. Any higher-order multipole moment can be taken into account in the neutrality principle, and it only affects the degree and coefficients of the polynomial and the constant term. The lowest and second moments correspond respectively to the Wolf zero-charge scheme and the zero-dipole summation scheme, which was previously proposed. Relationships with other non-Ewald methods are discussed, to validate the current method in their contexts. Good numerical efficiencies were easily obtained in the evaluation of Madelung constants of sodium chloride and cesium chloride crystals.

Thermodynamics of charged dilatonic BTZ black holes in rainbow gravity

NASA Astrophysics Data System (ADS)

Dehghani, M.

2018-02-01

In this paper, the charged three-dimensional Einstein's theory coupled to a dilatonic field has been considered in the rainbow gravity. The dilatonic potential has been written as the linear combination of two Liouville-type potentials. Four new classes of charged dilatonic rainbow black hole solutions, as the exact solution to the coupled field equations of the energy dependent space time, have been obtained. Two of them are correspond to the Coulomb's electric field and the others are consequences of a modified Coulomb's law. Total charge and mass as well as the entropy, temperature and electric potential of the new charged black holes have been calculated in the presence of rainbow functions. Although the thermodynamic quantities are affected by the rainbow functions, it has been found that the first law of black hole thermodynamics is still valid for all of the new black hole solutions. At the final stage, making use of the canonical ensemble method and regarding the black hole heat capacity, the thermal stability or phase transition of the new rainbow black hole solutions have been analyzed.

Extreme statistics and index distribution in the classical 1d Coulomb gas

NASA Astrophysics Data System (ADS)

Dhar, Abhishek; Kundu, Anupam; Majumdar, Satya N.; Sabhapandit, Sanjib; Schehr, Grégory

2018-07-01

We consider a 1D gas of N charged particles confined by an external harmonic potential and interacting via the 1D Coulomb potential. For this system we show that in equilibrium the charges settle, on an average, uniformly and symmetrically on a finite region centred around the origin. We study the statistics of the position of the rightmost particle and show that the limiting distribution describing its typical fluctuations is different from the Tracy–Widom distribution found in the 1D log-gas. We also compute the large deviation functions which characterise the atypical fluctuations of far away from its mean value. In addition, we study the gap between the two rightmost particles as well as the index N + , i.e. the number of particles on the positive semi-axis. We compute the limiting distributions associated to the typical fluctuations of these observables as well as the corresponding large deviation functions. We provide numerical supports to our analytical predictions. Part of these results were announced in a recent letter, Dhar et al (2017 Phys. Rev. Lett. 119 060601).

Control Mechanisms of the Electron Heat Flux in the Solar Wind: Observations in Comparison to Numerical Simulations

NASA Astrophysics Data System (ADS)

Stverak, S.; Hellinger, P.; Landi, S.; Travnicek, P. M.; Maksimovic, M.

2017-12-01

Recent understanding of the heat transport and dissipation in the expanding solar wind propose number of complex control mechanisms down to the electron kinetic scales. We investigate the evolution of electron heat flux properties and constraints along the expansion using in situ observations from Helios spacecraft in comparison to numerical kinetic simulations. In particular we focus on the roles of Coulomb collisions and wave-particle interactions in shaping the electron velocity distribution functions and thus controlling the heat transported by the electron heat flux. We show the general evolution of the electron heat flux to be driven namely by the Coulomb collisions. Locally we demonstrate the wave-particle interactions related to the kinetic plasma instabilities to be providing effective constraints in case of extreme heat flux levels.

Spectral densities for Frenkel exciton dynamics in molecular crystals: A TD-DFTB approach

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Megow, Jörg; Niehaus, Thomas; Kühn, Oliver

2017-02-01

Effects of thermal fluctuations on the electronic excitation energies and intermonomeric Coulomb couplings are investigated for a perylene-tetracarboxylic-diimide crystal. To this end, time dependent density functional theory based tight binding (TD-DFTB) in the linear response formulation is used in combination with electronic ground state classical molecular dynamics. As a result, a parametrized Frenkel exciton Hamiltonian is obtained, with the effect of exciton-vibrational coupling being described by spectral densities. Employing dynamically defined normal modes, these spectral densities are analyzed in great detail, thus providing insight into the effect of specific intramolecular motions on excitation energies and Coulomb couplings. This distinguishes the present method from approaches using fixed transition densities. The efficiency by which intramolecular contributions to the spectral density can be calculated is a clear advantage of this method as compared with standard TD-DFT.

The radial gradients and collisional properties of solar wind electrons

NASA Technical Reports Server (NTRS)

Ogilvie, K. W.; Scudder, J. D.

1978-01-01

The plasma electron detector on Mariner 10 is used to obtain measurements of electron density and temperature in the interplanetary medium between heliocentric distances of 0.85 and 0.45 AU. The observations show quantitatively that the core of the electron distribution function can be described as collisional at least for radial distances within 1 AU, since with a very few well-marked exceptions associated with high-speed streams, the Coulomb collisional momentum relaxation length is less than the density scale height at all times and all radial distances at which data were obtained. It is found that the Coulomb energy exchange collisions between the core and the (test) halo population are negligible. The power law exponent of the core temperature is about -0.3, whereas the halo temperature is almost independent of heliocentric distance.

A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime.

PubMed

Olsen, Stine T; Brøndsted Nielsen, Mogens; Hansen, Thorsten; Ratner, Mark A; Mikkelsen, Kurt V

2017-06-20

Molecular photoswitches incorporated in molecular junctions yield the possibility of light-controlled switching of conductance due to the electronic difference of the photoisomers. Another isomerization mechanism, dark photoswitching, promoted by a voltage stimulus rather than by light, can be operative in the Coulomb blockade regime for a specific charge state of the molecule. Here we elucidate theoretically the mechanistic and thermodynamic restrictions for this dark photoswitching for donor-acceptor substituted 4n and 4n+2 π-electron open-chain oligoenes (1,3-butadiene and 1,3,5-hexatriene) by considering the molecular energies and orbitals of the molecules placed in a junction. For an electrocyclic ring closure reaction to occur for these compounds, we put forward two requirements: a) the closed stereoisomer (cis or trans form) must be of lower energy than the open form, and b) the reaction pathway must be in accordance to the orbital symmetry rules expressed by the Woodward-Hoffmann rules (when the electrodes do not significantly alter the molecular orbital appearances). We find these two requirements to be valid for the dianion of (1E,3Z,5E)-hexa-1,3,5-triene-1,6-diamine, and the Coulomb blockade diamonds were therefore modeled for this compound to elucidate how a dark photoswitching event would manifest itself in the stability plot. From this modeling of conductance as a function of gate and bias potentials, we predict a collapse in Coulomb diamond size, that is, a decrease in the height of the island of zero conductance. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of increasing disorder on domains of the 2d Coulomb glass.

PubMed

Bhandari, Preeti; Malik, Vikas

2017-12-06

We have studied a two dimensional lattice model of Coulomb glass for a wide range of disorders at [Formula: see text]. The system was first annealed using Monte Carlo simulation. Further minimization of the total energy of the system was done using an algorithm developed by Baranovskii et al, followed by cluster flipping to obtain the pseudo-ground states. We have shown that the energy required to create a domain of linear size L in d dimensions is proportional to [Formula: see text]. Using Imry-Ma arguments given for random field Ising model, one gets critical dimension [Formula: see text] for Coulomb glass. The investigation of domains in the transition region shows a discontinuity in staggered magnetization which is an indication of a first-order type transition from charge-ordered phase to disordered phase. The structure and nature of random field fluctuations of the second largest domain in Coulomb glass are inconsistent with the assumptions of Imry and Ma, as was also reported for random field Ising model. The study of domains showed that in the transition region there were mostly two large domains, and that as disorder was increased the two large domains remained, but a large number of small domains also opened up. We have also studied the properties of the second largest domain as a function of disorder. We furthermore analysed the effect of disorder on the density of states, and showed a transition from hard gap at low disorders to a soft gap at higher disorders. At [Formula: see text], we have analysed the soft gap in detail, and found that the density of states deviates slightly ([Formula: see text]) from the linear behaviour in two dimensions. Analysis of local minima show that the pseudo-ground states have similar structure.

Extension of the Kohn-Sham formulation of density functional theory to finite temperature

NASA Astrophysics Data System (ADS)

Gonis, A.; Däne, M.

2018-05-01

Based on Mermin's extension of the Hohenberg and Kohn theorems to non-zero temperature, the Kohn-Sham formulation of density functional theory (KS-DFT) is generalized to finite temperature. We show that present formulations are inconsistent with Mermin's functional containing expressions, in particular describing the Coulomb energy, that defy derivation and are even in violation of rules of logical inference. More; current methodology is in violation of fundamental laws of both quantum and classical mechanics. Based on this feature, we demonstrate the impossibility of extending the KS formalism to finite temperature through the self-consistent solutions of the single-particle Schrödinger equation of T > 0. Guided by the form of Mermin's functional that depends on the eigenstates of a Hamiltonian, determined at T = 0, we base our extension of KS-DFT on the determination of the excited states of a non-interacting system at the zero of temperature. The resulting formulation is consistent with that of Mermin constructing the free energy at T > 0 in terms of the excited states of a non-interacting Hamiltonian (system) that, within the KS formalism, are described by Slater determinants. To determine the excited states at T = 0 use is made of the extension of the Hohenberg and Kohn theorems to excited states presented in previous work applied here to a non-interacting collection of replicas of a non-interacting N-particle system, whose ground state density is taken to match that of K non-interacting replicas of an interacting N-particle system at T = 0 . The formalism allows for an ever denser population of the excitation spectrum of a Hamiltonian, within the KS approximation. The form of the auxiliary potential, (Kohn-Sham potential), is formally identical to that in the ground state formalism with the contribution of the Coulomb energy provided by the derivative of the Coulomb energy in all excited states taken into account. Once the excited states are determined, the minimum of the free energy within the KS formalism follows immediately in the form of Mermin's functional, but with the exact excited states in that functional represented by Slater determinants obtained through self-consistency conditions at the zero of temperature. It is emphasized that, in departure from all existing formulations, no self-consistency conditions are implemented at finite T; as we show, in fact, such formulations are rigorously blocked.

Application of screened Coulomb potential in fitting DBV star PG 0112+104

NASA Astrophysics Data System (ADS)

Chen, Y. H.

2018-03-01

With 78.7 d of observations for PG 0112+104, a pulsating DB star, from Campaign 8 of Kepler 2 mission, Hermes et al. made a detailed mode identification. A reliable mode identification, with 5 l = 1 modes, 3 l = 2 modes, and 3 l = 1 or 2 modes, was identified. Grids of DBV star models are evolved by WDEC with element diffusion effect of pure Coulomb potential and screened Coulomb potential. Fitting the identified modes of PG 0112+104 by the calculated ones, we studied the difference of element diffusion effect between adopting pure Coulomb potential and screened Coulomb potential. Our aim is to reduce the fitting error by studying new input physics. The starting models including their chemical composition profile are from white dwarf models evolved by MESA. They were calculated following the stellar evolution from the main sequence to the start of the white dwarf cooling sequences. The optimal parameters are basically consistent with that of previous spectroscopic and asteroseismological studies. The pure and screened Coulomb potential lead to different composition profiles of the C/O-He interface area. High k modes are very sensitive to the area. However, most of the observed modes for PG 0112+104 are low k modes. The σRMS taking the screened Coulomb potential is reduced by 4 per cent compared with taking the pure Coulomb potential when fitting the identified low k modes of PG 0112+104. Fitting the Kepler 2 data with our models improved the σRMS of the fit by 27 per cent.

Examining the role of Coulomb static stress transfer in injection-induced seismicity: a generic modeling approach

NASA Astrophysics Data System (ADS)

Brown, M. R. M.; Ge, S.

2017-12-01

Increased pore pressure decreasing the effective stress on a critically stressed fault has been the accepted mechanism for injection-induced seismicity. This, however, is an over simplified approach that does not take into account the coupled hydro-mechanical effects. In addition, this approach leaves out a possible key stressor in the system, the earthquakes. Earthquakes are known to interact with each other by Coulomb static stress transfer, the process of permanent stress change caused by movement on a fault. In areas of induced seismicity, many small to moderate earthquakes can occur adding to the stress in the system via Coulomb static stress transfer. Here we ask: Is the Coulomb static stress transfer from the earthquakes as important as the pore pressure increase or stress changes caused by coupled hydro-mechanical processes? Is there a point where the Coulomb static stress transfer from the earthquakes becomes the controlling process for inducing future earthquakes? How does the effect of many small earthquakes compare to a few larger events in terms of Coulomb static stress transfer? In this study, we use hydrologic and coupled hydro-mechanical models and USGS Coulomb 3 to assess the importance of induced earthquakes in terms of the stress change in the system. Realistic scenarios of wastewater injection and earthquake magnitude-frequency distributions are used to develop generic models. Model variables and data are varied to evaluate the range of possible outcomes. Preliminary results show that the stress change associated with injection is of the same order of magnitude as the cumulative Coulomb static stress change of a series of small (1

Thermodynamic Structure of Collision-Dominated Expanding Plasma: Heating of Interplanetary Coronal Mass Injections

NASA Technical Reports Server (NTRS)

Liu, Y.; Richardson, J. D.; Belcher, J. W.; Kasper, J. C.; Elliott, H. A.

2006-01-01

We investigate the thermodynamic structure of interplanetary coronal mass ejections (ICMEs) using combined surveys of the ejecta between 0.3 and 20 AU. ICMEs are shown to have a moderate expansion in the solar wind compared with theoretical predictions. The expansion seems to be governed by a polytrope with gamma approx. 1.3 in this distance range. We find that Coulomb collisions are important contributors to the ion-ion equilibration process in the ICME plasma. The alpha-proton differential speed quickly drops to below 10 km/s due to strong Coulomb collisions. However, the two species of particles are far from thermal equilibrium with a temperature ratio T(sub alpha/T(sub p) = 4-6, suggestive of a preferential heating of alpha particles. The plasma heating rate as a function of heliocentric &stance required for the temperature profile is deduced by taking into account the expansion and energy transfer between protons and alphas via Coulomb collisions. The turbulence dissipation rate is also inferred from the inertial range power spectrum of magnetic fluctuations within ICMEs. Comparison of the turbulence dissipation rate with the required heating rate shows that turbulence dissipation seems sufficient to explain the ICME heating. Sources powering the turbulence are also investigated by examining the instabilities induced by temperature anisotropies and energy deposition by pickup ions.

Coulomb and CH-π interactions in (6-4) photolyase-DNA complex dominate DNA binding and repair abilities.

PubMed

Terai, Yuma; Sato, Ryuma; Yumiba, Takahiro; Harada, Ryuhei; Shimizu, Kohei; Toga, Tatsuya; Ishikawa-Fujiwara, Tomoko; Todo, Takeshi; Iwai, Shigenori; Shigeta, Yasuteru; Yamamoto, Junpei

2018-05-14

(6-4) Photolyases ((6-4)PLs) are flavoenzymes that repair the carcinogenic UV-induced DNA damage, pyrimidine(6-4)pyrimidone photoproducts ((6-4)PPs), in a light-dependent manner. Although the reaction mechanism of DNA photorepair by (6-4)PLs has been intensively investigated, the molecular mechanism of the lesion recognition remains obscure. We show that a well-conserved arginine residue in Xenopus laevis (6-4)PL (Xl64) participates in DNA binding, through Coulomb and CH-π interactions. Fragment molecular orbital calculations estimated attractive interaction energies of -80-100 kcal mol-1 for the Coulomb interaction and -6 kcal mol-1 for the CH-π interaction, and the loss of either of them significantly reduced the affinity for (6-4)PP-containing oligonucleotides, as well as the quantum yield of DNA photorepair. From experimental and theoretical observations, we formulated a DNA binding model of (6-4)PLs. Based on the binding model, we mutated this Arg in Xl64 to His, which is well conserved among the animal cryptochromes (CRYs), and found that the CRY-type mutant exhibited reduced affinity for the (6-4)PP-containing oligonucleotides, implying the possible molecular origin of the functional diversity of the photolyase/cryptochrome superfamily.

Counter-ions at single charged wall: Sum rules.

PubMed

Samaj, Ladislav

2013-09-01

For inhomogeneous classical Coulomb fluids in thermal equilibrium, like the jellium or the two-component Coulomb gas, there exists a variety of exact sum rules which relate the particle one-body and two-body densities. The necessary condition for these sum rules is that the Coulomb fluid possesses good screening properties, i.e. the particle correlation functions or the averaged charge inhomogeneity, say close to a wall, exhibit a short-range (usually exponential) decay. In this work, we study equilibrium statistical mechanics of an electric double layer with counter-ions only, i.e. a globally neutral system of equally charged point-like particles in the vicinity of a plain hard wall carrying a fixed uniform surface charge density of opposite sign. At large distances from the wall, the one-body and two-body counter-ion densities go to zero slowly according to the inverse-power law. In spite of the absence of screening, all known sum rules are shown to hold for two exactly solvable cases of the present system: in the weak-coupling Poisson-Boltzmann limit (in any spatial dimension larger than one) and at a special free-fermion coupling constant in two dimensions. This fact indicates an extended validity of the sum rules and provides a consistency check for reasonable theoretical approaches.

Natural occupation numbers: when do they vanish?

PubMed

Giesbertz, K J H; van Leeuwen, R

2013-09-14

The non-vanishing of the natural orbital (NO) occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix-potential mapping for nonlocal potentials in reduced density matrix functional theory and for the validity of the extended Koopmans' theorem. On the basis of Weyl's theorem we give a connection between the differentiability properties of the ground state wavefunction and the rate at which the natural occupations approach zero when ordered as a descending series. We show, in particular, that the presence of a Coulomb cusp in the wavefunction leads, in general, to a power law decay of the natural occupations, whereas infinitely differentiable wavefunctions typically have natural occupations that decay exponentially. We analyze for a number of explicit examples of two-particle systems that in case the wavefunction is non-analytic at its spatial diagonal (for instance, due to the presence of a Coulomb cusp) the natural orbital occupations are non-vanishing. We further derive a more general criterium for the non-vanishing of NO occupations for two-particle wavefunctions with a certain separability structure. On the basis of this criterium we show that for a two-particle system of harmonically confined electrons with a Coulombic interaction (the so-called Hookium) the natural orbital occupations never vanish.

Dynamics of atoms in strong laser fields I: A quasi analytical model in momentum space based on a Sturmian expansion of the interacting nonlocal Coulomb potential

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

Ongonwou, F., E-mail: fred.ongonwou@gmail.com; Tetchou Nganso, H.M., E-mail: htetchou@yahoo.com; Ekogo, T.B., E-mail: tekogo@yahoo.fr

In this study we present a model that we have formulated in the momentum space to describe atoms interacting with intense laser fields. As a further step, it follows our recent theoretical approach in which the kernel of the reciprocal-space time-dependent Schrödinger equation (TDSE) is replaced by a finite sum of separable potentials, each of them supporting one bound state of atomic hydrogen (Tetchou Nganso et al. 2013). The key point of the model is that the nonlocal interacting Coulomb potential is expanded in a Coulomb Sturmian basis set derived itself from a Sturmian representation of Bessel functions of the firstmore » kind in the position space. As a result, this decomposition allows a simple spectral treatment of the TDSE in the momentum space. In order to illustrate the credibility of the model, we have considered the test case of atomic hydrogen driven by a linearly polarized laser pulse, and have evaluated analytically matrix elements of the atomic Hamiltonian and dipole coupling interaction. For various regimes of the laser parameters used in computations our results are in very good agreement with data obtained from other time-dependent calculations.« less

Theoretical assessment of the disparity in the electrostatic forces between two point charges and two conductive spheres of equal radii

NASA Astrophysics Data System (ADS)

Kolikov, Kiril

2016-11-01

The Coulomb's formula for the force FC of electrostatic interaction between two point charges is well known. In reality, however, interactions occur not between point charges, but between charged bodies of certain geometric form, size and physical structure. This leads to deviation of the estimated force FC from the real force F of electrostatic interaction, thus imposing the task to evaluate the disparity. In the present paper the problem is being solved theoretically for two charged conductive spheres of equal radii and arbitrary electric charges. Assessment of the deviation is given as a function of the ratio of the distance R between the spheres centers to the sum of their radii. For the purpose, relations between FC and F derived in a preceding work of ours, are employed to generalize the Coulomb's interactions. At relatively short distances between the spheres, the Coulomb force FC, as estimated to be induced by charges situated at the centers of the spheres, differ significantly from the real force F of interaction between the spheres. In the case of zero and non-zero charge we prove that with increasing the distance between the two spheres, the force F decrease rapidly, virtually to zero values, i.e. it appears to be short-acting force.

Enhancing the Li storage capacity and initial coulombic efficiency for porous carbons by sulfur doping.

PubMed

Ning, Guoqing; Ma, Xinlong; Zhu, Xiao; Cao, Yanming; Sun, Yuzhen; Qi, Chuanlei; Fan, Zhuangjun; Li, Yongfeng; Zhang, Xin; Lan, Xingying; Gao, Jinsen

2014-09-24

Here, we report a new approach to synthesizing S-doped porous carbons and achieving both a high capacity and a high Coulombic efficiency in the first cycle for carbon nanostructures as anodes for Li ion batteries. S-doped porous carbons (S-PCs) were synthesized by carbonization of pitch using magnesium sulfate whiskers as both templates and S source, and a S doping up to 10.1 atom % (corresponding to 22.5 wt %) was obtained via a S doping reaction. Removal of functional groups or highly active C atoms during the S doping has led to formation of much thinner solid-electrolyte interface layer and hence significantly enhanced the Coulombic efficiency in the first cycle from 39.6% (for the undoped porous carbon) to 81.0%. The Li storage capacity of the S-PCs is up to 1781 mA h g(-1) at the current density of 50 mA g(-1), more than doubling that of the undoped porous carbon. Due to the enhanced conductivity, the hierarchically porous structure and the excellent stability, the S-PC anodes exhibit excellent rate capability and reliable cycling stability. Our results indicate that S doping can efficiently promote the Li storage capacity and reduce the irreversible Li combination for carbon nanostructures.

Truncated Linear Statistics Associated with the Eigenvalues of Random Matrices II. Partial Sums over Proper Time Delays for Chaotic Quantum Dots

NASA Astrophysics Data System (ADS)

Grabsch, Aurélien; Majumdar, Satya N.; Texier, Christophe

2017-06-01

Invariant ensembles of random matrices are characterized by the distribution of their eigenvalues \\{λ _1,\\ldots ,λ _N\\}. We study the distribution of truncated linear statistics of the form \\tilde{L}=\\sum _{i=1}^p f(λ _i) with p

Electronic and Structural Properties of ABO3: Role of the B-O Coulomb Repulsions for Ferroelectricity

PubMed Central

Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi

2011-01-01

We have investigated the role of the Ti–O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn–O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn–O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti–O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures. PMID:28879987

Electronic and Structural Properties of ABO3: Role of the B-O Coulomb Repulsions for Ferroelectricity.

PubMed

Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi

2011-01-17

We have investigated the role of the Ti-O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn-O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn-O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti-O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures.

Ab initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak nonlocal screening

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Mertig, I.; Katsnelson, M. I.

2018-01-01

By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method, we study the screening of the Coulomb interaction in NbxCo (1 ≤x ≤9 ) clusters. In addition, these results are compared with pure bcc Nb bulk. We find that for all clusters the on-site Coulomb interaction in RPA is strongly screened, whereas the intersite nonlocal Coulomb interaction is weakly screened and for some clusters it is unscreened or even antiscreened. This is in strong contrast with pure Nb bulk, where the intersite Coulomb interaction is almost completely screened. Furthermore, constrained RPA calculations reveal that the contribution of the Co 3 d → 3 d channel to the total screening of the Co 3 d electrons is small. Moreover, we find that both the on-site and intersite Coulomb interaction parameters decrease in a reasonable approximation linearly with the cluster size and for clusters having more than 20 Nb atoms a transition from 0D to 3D screening is expected to take place.

Increases in seismicity rate in the Tokyo Metropolitan area after the 2011 Tohoku Earthquake

NASA Astrophysics Data System (ADS)

Ishibe, T.; Satake, K.; Sakai, S.; Shimazaki, K.; Tsuruoka, H.; Nakagawa, S.; Hirata, N.

2013-12-01

Abrupt increases in seismicity rate have been observed in the Kanto region, where the Tokyo Metropolitan area is located, after the 2011 off the Pacific coast of Tohoku earthquake (M9.0) on March 11, 2011. They are well explained by the static increases in the Coulomb Failure Function (ΔCFF) imparted by the gigantic thrusting while some other possible factors (e.g., dynamic stress changes, excess of fluid dehydration, post-seismic slip) may also contribute the rate changes. Because of various types of earthquakes with different focal mechanisms occur in the Kanto region, the receiver faults for the calculation of ΔCFF were assumed to be two nodal planes of small earthquakes before and after the Tohoku earthquake. The regions where seismicity rate increased after the Tohoku earthquake well correlate with concentration on positive ΔCFF (i.e., southwestern Ibaraki and northern Chiba prefectures where intermediate-depth earthquakes occur, and in the shallow crust of western Kanagawa, eastern Shizuoka, and southeastern Yamanashi including the Izu and Hakone regions). The seismicity rate has increased since March 11, 2011 with respect to the Epidemic Type Aftershock Sequence (ETAS) model (Ogata, 1988), suggesting that the rate increase was due to the stress increase by the Tohoku earthquake. Furthermore, the z-values immediately after the Tohoku earthquake show the minimum values during the recent 10 years, indicating significant increases in seismicity rate. At intermediate depth, abrupt increases in thrust faulting earthquakes are well consistent with the Coulomb stress increase. At shallow depth, the earthquakes with the T-axes of roughly NE-SW were activated probably due to the E-W extension of the overriding continental plate, and this is also well explained by the Coulomb stress increase. However, the activated seismicity in the Izu and Hakone regions rapidly decayed following the Omori-Utsu formula, while the increased rate of seismicity in the southwestern Ibaraki and northern Chiba prefectures is still continuing. The ΔCFF values for the earthquakes after March 2011 show more positive values than those before March 2011, supporting a triggering hypothesis that the 2011 Tohoku earthquake triggered the seismicity changes in the Kanto region. Dynamic stress changes due to the passage of seismic waves would also contribute the rate changes. Indeed, many remotely-triggered local events, whose occurrence times are well correlated with the arrival times of impulsive P-wave or large amplitudes of Rayleigh or Love waves, were identified from densely distributed seismograms in Japanese islands (e.g., Yukutake et al., 2011; Miyazawa, 2012). Indirectly triggered earthquakes also contribute because stress changes from neighboring indirect aftershocks could be comparable with or larger than those from a distant mainshock. Post-seismic slip and viscoelastic effects will increase the importance of earthquake triggering.

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

Oryu, S.; Nishinohara, S.; Sonoda, K.

The three-charged-particle Faddeev-type equations for a full potential system are presented in momentum space. The potential is composed of a short range two-body, nuclear potential and a three-body-force potential plus the long range Coulomb potential. A novel framework is proposed for this purpose which contains two innovations aimed at realizing a breakthrough for the notoriously troublesome long range behavior of charged particle systems and tedious Coulomb prescriptions in momentum space calculations. One involves introduction of a Coulomb boundary condition and the other is a new definition of the Coulomb amplitude using two-potential theory for VC = VR + V{phi} withmore » respect to a screened Coulomb potential VR and the remainder V{phi} = VC - VR. Some important equations, which are underlined in our approach, are mathematically proved. The formulation is not only rigorous but also useful for numerical calculations.« less

11Li Breakup on 208 at energies around the Coulomb barrier.

PubMed

Fernández-García, J P; Cubero, M; Rodríguez-Gallardo, M; Acosta, L; Alcorta, M; Alvarez, M A G; Borge, M J G; Buchmann, L; Diget, C A; Falou, H A; Fulton, B R; Fynbo, H O U; Galaviz, D; Gómez-Camacho, J; Kanungo, R; Lay, J A; Madurga, M; Martel, I; Moro, A M; Mukha, I; Nilsson, T; Sánchez-Benítez, A M; Shotter, A; Tengblad, O; Walden, P

2013-04-05

The inclusive breakup for the (11)Li + (208)Pb reaction at energies around the Coulomb barrier has been measured for the first time. A sizable yield of (9)Li following the (11)Li dissociation has been observed, even at energies well below the Coulomb barrier. Using the first-order semiclassical perturbation theory of Coulomb excitation it is shown that the breakup probability data measured at small angles can be used to extract effective breakup energy as well as the slope of B(E1) distribution close to the threshold. Four-body continuum-discretized coupled-channels calculations, including both nuclear and Coulomb couplings between the target and projectile to all orders, reproduce the measured inclusive breakup cross sections and support the presence of a dipole resonance in the (11)Li continuum at low excitation energy.

Beyond the Rayleigh instability limit for multicharged finite systems: From fission to Coulomb explosion

PubMed Central

Last, Isidore; Levy, Yaakov; Jortner, Joshua

2002-01-01

We address the stability of multicharged finite systems driven by Coulomb forces beyond the Rayleigh instability limit. Our exploration of the nuclear dynamics of heavily charged Morse clusters enabled us to vary the range of the pair potential and of the fissibility parameter, which results in distinct fragmentation patterns and in the angular distributions of the fragments. The Rayleigh instability limit separates between nearly binary (or tertiary) spatially unisotropic fission and spatially isotropic Coulomb explosion into a large number of small, ionic fragments. Implications are addressed for a broad spectrum of dynamics in chemical physics, radiation physics of ultracold gases, and biophysics, involving the fission of clusters and droplets, the realization of Coulomb explosion of molecular clusters, the isotropic expansion of optical molasses, and the Coulomb instability of “isolated” proteins. PMID:12093910

The singularity structure of scale-invariant rank-2 Coulomb branches

NASA Astrophysics Data System (ADS)

Argyres, Philip C.; Long, Cody; Martone, Mario

2018-05-01

We compute the spectrum of scaling dimensions of Coulomb branch operators in 4d rank-2 N=2 superconformal field theories. Only a finite rational set of scaling dimensions is allowed. It is determined by using information about the global topology of the locus of metric singularities on the Coulomb branch, the special Kähler geometry near those singularities, and electric-magnetic duality monodromies along orbits of the U(1) R symmetry. A set of novel topological and geometric results are developed which promise to be useful for the study and classification of Coulomb branch geometries at all ranks.

Coulomb scatter of diamagnetic dust particles in a cusp magnetic trap under microgravity conditions

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

Myasnikov, M. I., E-mail: miasnikovmi@mail.ru; D’yachkov, L. G.; Petrov, O. F.

2017-02-15

The effect of a dc electric field on strongly nonideal Coulomb systems consisting of a large number (~10{sup 4}) of charged diamagnetic dust particles in a cusp magnetic trap are carried out aboard the Russian segment of the International Space Station (ISS) within the Coulomb Crystal experiment. Graphite particles of 100–400 μm in size are used in the experiments. Coulomb scatter of a dust cluster and the formation of threadlike chains of dust particles are observed experimentally. The processes observed are simulated by the molecular dynamics (MD) method.

Coulomb blockade in a single tunnel junction directly connected to a multiwalled carbon nanotube

NASA Astrophysics Data System (ADS)

Haruyama, Junji; Takesue, Izumi; Sato, Yuki

2000-10-01

We report on Coulomb blockade in a single tunnel junction directly connected to a multiwalled carbon nanotube (MWNT) by utilizing a nanoporous alumina film. The MWNT exhibits a weak localization effect with strong spin flip scattering. Experimental results and analysis suggest that a high-impedance external environment caused by the weak localization in the MWNT can yield Coulomb blockade, in accordance with phase correlation theory in a single junction system. It is also revealed that the Coulomb blockade is very sensitive to phase modulation in the MWNT, which also acts as a high-impedance transmission line.

Landslide Probability Assessment by the Derived Distributions Technique

NASA Astrophysics Data System (ADS)

Muñoz, E.; Ochoa, A.; Martínez, H.

2012-12-01

Landslides are potentially disastrous events that bring along human and economic losses; especially in cities where an accelerated and unorganized growth leads to settlements on steep and potentially unstable areas. Among the main causes of landslides are geological, geomorphological, geotechnical, climatological, hydrological conditions and anthropic intervention. This paper studies landslides detonated by rain, commonly known as "soil-slip", which characterize by having a superficial failure surface (Typically between 1 and 1.5 m deep) parallel to the slope face and being triggered by intense and/or sustained periods of rain. This type of landslides is caused by changes on the pore pressure produced by a decrease in the suction when a humid front enters, as a consequence of the infiltration initiated by rain and ruled by the hydraulic characteristics of the soil. Failure occurs when this front reaches a critical depth and the shear strength of the soil in not enough to guarantee the stability of the mass. Critical rainfall thresholds in combination with a slope stability model are widely used for assessing landslide probability. In this paper we present a model for the estimation of the occurrence of landslides based on the derived distributions technique. Since the works of Eagleson in the 1970s the derived distributions technique has been widely used in hydrology to estimate the probability of occurrence of extreme flows. The model estimates the probability density function (pdf) of the Factor of Safety (FOS) from the statistical behavior of the rainfall process and some slope parameters. The stochastic character of the rainfall is transformed by means of a deterministic failure model into FOS pdf. Exceedance probability and return period estimation is then straightforward. The rainfall process is modeled as a Rectangular Pulses Poisson Process (RPPP) with independent exponential pdf for mean intensity and duration of the storms. The Philip infiltration model is used along with the soil characteristic curve (suction vs. moisture) and the Mohr-Coulomb failure criteria in order to calculate the FOS of the slope. Data from two slopes located on steep tropical regions of the cities of Medellín (Colombia) and Rio de Janeiro (Brazil) where used to verify the model's performance. The results indicated significant differences between the obtained FOS values and the behavior observed on the field. The model shows relatively high values of FOS that do not reflect the instability of the analyzed slopes. For the two cases studied, the application of a more simple reliability concept (as the Probability of Failure - PR and Reliability Index - β), instead of a FOS could lead to more realistic results.

Barrier distributions and signatures of transfer channels in the Ca40+Ni58,64 fusion reactions at energies around and below the Coulomb barrier

NASA Astrophysics Data System (ADS)

Bourgin, D.; Courtin, S.; Haas, F.; Stefanini, A. M.; Montagnoli, G.; Goasduff, A.; Montanari, D.; Corradi, L.; Fioretto, E.; Huiming, J.; Scarlassara, F.; Rowley, N.; Szilner, S.; Mijatović, T.

2014-10-01

Background: The nuclear structure of colliding nuclei is known to influence the fusion process. Couplings of the relative motion to nuclear shape deformations and vibrations lead to an enhancement of the sub-barrier fusion cross section in comparison with the predictions of one-dimensional barrier penetration models. This enhancement is explained by coupled-channels calculations including these couplings. The sub-barrier fusion cross section is also affected by nucleon transfer channels between the colliding nuclei. Purpose: The aim of the present experiment is to investigate the influence of the projectile and target nuclear structures on the fusion cross sections in the Ca40+Ni58 and Ca40+Ni64 systems. Methods: The experimental and theoretical fusion excitation functions as well as the barrier distributions were compared for these two systems. Coupled-channels calculations were performed using the ccfull code. Results: Good agreement was found between the measured and calculated fusion cross sections for the Ca40+Ni58 system. The situation is different for the Ca40+Ni64 system where the coupled-channels calculations with no nucleon transfer clearly underestimate the fusion cross sections below the Coulomb barrier. The fusion excitation function was, however, well reproduced at low and high energies by including the coupling to the neutron pair-transfer channel in the calculations. Conclusions: The nuclear structure of the colliding nuclei influences the fusion cross sections below the Coulomb barrier for both Ca40+Ni58,64 systems. Moreover, we highlighted the effect of the neutron pair-transfer channel on the fusion cross sections in Ca40+Ni64.

Three-body Coulomb systems using generalized angular-momentum S states

NASA Technical Reports Server (NTRS)

Whitten, R. C.; Sims, J. S.

1974-01-01

An expansion of the three-body Coulomb potential in generalized angular-momentum eigenfunctions developed earlier by one of the authors is used to compute energy eigenvalues and eigenfunctions of bound S states of three-body Coulomb systems. The results for He, H(-), e(-)e(+)e(-), and pmu(-)p are compared with the results of other computational approaches.

Progressive failure on the North Anatolian fault since 1939 by earthquake stress triggering

USGS Publications Warehouse

Stein, R.S.; Barka, A.A.; Dieterich, J.H.

1997-01-01

10 M ??? 6.7 earthquakes ruptured 1000 km of the North Anatolian fault (Turkey) during 1939-1992, providing an unsurpassed opportunity to study how one large shock sets up the next. We use the mapped surface slip and fault geometry to infer the transfer of stress throughout the sequence. Calculations of the change in Coulomb failure stress reveal that nine out of 10 ruptures were brought closer to failure by the preceding shocks, typically by 1-10 bar, equivalent to 3-30 years of secular stressing. We translate the calculated stress changes into earthquake probability gains using an earthquake-nucleation constitutive relation, which includes both permanent and transient effects of the sudden stress changes. The transient effects of the stress changes dominate during the mean 10 yr period between triggering and subsequent rupturing shocks in the Anatolia sequence. The stress changes result in an average three-fold gain in the net earthquake probability during the decade after each event. Stress is calculated to be high today at several isolated sites along the fault. During the next 30 years, we estimate a 15 per cent probability of a M ??? 6.7 earthquake east of the major eastern centre of Ercinzan, and a 12 per cent probability for a large event south of the major western port city of Izmit. Such stress-based probability calculations may thus be useful to assess and update earthquake hazards elsewhere.

Coulomb-free and Coulomb-distorted recolliding quantum orbits in photoelectron holography

NASA Astrophysics Data System (ADS)

Maxwell, A. S.; Figueira de Morisson Faria, C.

2018-06-01

We perform a detailed analysis of the different types of orbits in the Coulomb quantum orbit strong-field approximation (CQSFA), ranging from direct to those undergoing hard collisions. We show that some of them exhibit clear counterparts in the standard formulations of the strong-field approximation for direct and rescattered above-threshold ionization, and show that the standard orbit classification commonly used in Coulomb-corrected models is over-simplified. We identify several types of rescattered orbits, such as those responsible for the low-energy structures reported in the literature, and determine the momentum regions in which they occur. We also find formerly overlooked interference patterns caused by backscattered Coulomb-corrected orbits and assess their effect on photoelectron angular distributions. These orbits improve the agreement of photoelectron angular distributions computed with the CQSFA with the outcome of ab initio methods for high energy phtotoelectrons perpendicular to the field polarization axis.

Computational assignment of redox states to Coulomb blockade diamonds.

PubMed

Olsen, Stine T; Arcisauskaite, Vaida; Hansen, Thorsten; Kongsted, Jacob; Mikkelsen, Kurt V

2014-09-07

With the advent of molecular transistors, electrochemistry can now be studied at the single-molecule level. Experimentally, the redox chemistry of the molecule manifests itself as features in the observed Coulomb blockade diamonds. We present a simple theoretical method for explicit construction of the Coulomb blockade diamonds of a molecule. A combined quantum mechanical/molecular mechanical method is invoked to calculate redox energies and polarizabilities of the molecules, including the screening effect of the metal leads. This direct approach circumvents the need for explicit modelling of the gate electrode. From the calculated parameters the Coulomb blockade diamonds are constructed using simple theory. We offer a theoretical tool for assignment of Coulomb blockade diamonds to specific redox states in particular, and a study of chemical details in the diamonds in general. With the ongoing experimental developments in molecular transistor experiments, our tool could find use in molecular electronics, electrochemistry, and electrocatalysis.

Correlated Coulomb Drag in Capacitively Coupled Quantum-Dot Structures.

PubMed

Kaasbjerg, Kristen; Jauho, Antti-Pekka

2016-05-13

We study theoretically Coulomb drag in capacitively coupled quantum dots (CQDs)-a bias-driven dot coupled to an unbiased dot where transport is due to Coulomb mediated energy transfer drag. To this end, we introduce a master-equation approach that accounts for higher-order tunneling (cotunneling) processes as well as energy-dependent lead couplings, and identify a mesoscopic Coulomb drag mechanism driven by nonlocal multielectron cotunneling processes. Our theory establishes the conditions for a nonzero drag as well as the direction of the drag current in terms of microscopic system parameters. Interestingly, the direction of the drag current is not determined by the drive current, but by an interplay between the energy-dependent lead couplings. Studying the drag mechanism in a graphene-based CQD heterostructure, we show that the predictions of our theory are consistent with recent experiments on Coulomb drag in CQD systems.

The role of bank collapse on tidal creek ontogeny: A novel process-based model for bank retreat

NASA Astrophysics Data System (ADS)

Gong, Zheng; Zhao, Kun; Zhang, Changkuan; Dai, Weiqi; Coco, Giovanni; Zhou, Zeng

2018-06-01

Bank retreat in coastal tidal flats plays a primary role on the planimetric shape of tidal creeks and is commonly driven by both flow-induced bank erosion and gravity-induced bank collapse. However, existing modelling studies largely focus on bank erosion and overlook bank collapse. We build a bank retreat model coupling hydrodynamics, bank erosion and bank collapse. To simulate the process of bank collapse, a stress-deformation model is utilized to calculate the stress variation of bank soil after bank erosion, and the Mohr-Coulomb failure criterion is then applied to evaluate the stability of the tidal creek bank. Results show that the bank failure process can be categorized into three stages, i.e., shear failure at the bank toe (stage I), tensile failure on the bank top (stage II), and sectional cracking from the bank top to the toe (stage III). With only bank erosion, the planimetric shapes of tidal creeks are funneled due to the gradually seaward increasing discharge. In contrast to bank erosion, bank collapse is discontinuous, and the contribution of bank collapse to bank retreat can reach 85%, highlighting that the expansion of tidal creeks can be dominated by bank collapse process. The planimetric shapes of tidal creeks are funneled with a much faster expansion rate when bank collapse is considered. Overall, this study makes a further step toward more physical and realistic simulation of bank retreat in estuarine and coastal settings and the developed bank collapse module can be readily included in other morphodynamic models.

Assessment of Well Safety from Pressure and Temperature-Induced Damage during CO2 Injection in Deep Saline Aquifers

NASA Astrophysics Data System (ADS)

Singh, A. K.; Delfs, J.; Goerke, U.; Kolditz, O.

2013-12-01

Carbon dioxide Capture and Storage (CCS) technology is known for disposing a specific amount of CO2 from industrial release of flue gases into a suitable storage where it stays for a defined period of time in a safe way. Types of storage sites for CO2 are depleted hydrocarbon reservoirs, unmineable coal seams and saline aquifers. In this poster, we address the problem of CO2 sequestration into deep saline aquifers. The main advantage of this kind of site for the CO2 sequestration is its widespread geographic distribution. However, saline aquifers are very poorly characterized and typically located at one kilometer depth below the earth's surface. To demonstrate that supercritical CO2 injection into deep saline aquifers is technically and environmentally safe, it is required to perform thermo-hydro-mechanical analysis of failure moods with numerical models. In the poster, we present simple process-catching benchmark for testing the scenario of compressed CO2 injection into a multi- layered saline aquifer.The pores of the deformable matrix are initially filled with saline water at hydrostatic pressure and geothermal temperature conditions. This benchmark investigates (i) how the mechanical and thermal stresses enhance the permeability for CO2 migration; and (ii) subsequent failures mode, i.e., tensile, and shear failures. The tensile failure occurs when pore fluid pressure exceeds the principle stress whereas the Mohr-Coulomb failure criterion defines the shear failure mode. The thermo-hydro-mechanical (THM) model is based on a ';multi-componential flow' module . The coupled system of balance equations is solvedin the monolithic way. The Galerkin finite element approach is used for spatial discretization, whereas temporal discretization is performed with a generalized single step scheme. This numerical module has been implemented in the open-source scientific software OpenGeoSys.

Coulomb excitation of the K π= 8⁻ isomeric band in 178Hf

DOE PAGES

Napiorkovsk, P. J.; Srebrny, J.; Czosnyka, T.; ...

2001-12-01

The Coulomb excitation experiment on the 178Hf was performed using 650 MeV beam of 136Xe. The first observation of discrete transitions in the K π = 8 - isomeric band. Coulomb excited from K π = 0+ ground state, is reported. The possible mechanisms of El coupling of the ground state band and the isomeric band is discussed.

First-principles calculations of shear moduli for Monte Carlo-simulated Coulomb solids

NASA Technical Reports Server (NTRS)

Ogata, Shuji; Ichimaru, Setsuo

1990-01-01

The paper presents a first-principles study of the shear modulus tensor for perfect and imperfect Coulomb solids. Allowance is made for the effects of thermal fluctuations for temperatures up to the melting conditions. The present theory treats the cases of the long-range Coulomb interaction, where volume fluctuations should be avoided in the Ewald sums.

Slow Noncollinear Coulomb Scattering in the Vicinity of the Dirac Point in Graphene.

PubMed

König-Otto, J C; Mittendorff, M; Winzer, T; Kadi, F; Malic, E; Knorr, A; Berger, C; de Heer, W A; Pashkin, A; Schneider, H; Helm, M; Winnerl, S

2016-08-19

The Coulomb scattering dynamics in graphene in energetic proximity to the Dirac point is investigated by polarization resolved pump-probe spectroscopy and microscopic theory. Collinear Coulomb scattering rapidly thermalizes the carrier distribution in k directions pointing radially away from the Dirac point. Our study reveals, however, that, in almost intrinsic graphene, full thermalization in all directions relying on noncollinear scattering is much slower. For low photon energies, carrier-optical-phonon processes are strongly suppressed and Coulomb mediated noncollinear scattering is remarkably slow, namely on a ps time scale. This effect is very promising for infrared and THz devices based on hot carrier effects.

Enhanced Bulk-Edge Coulomb Coupling in Fractional Fabry-Perot Interferometers.

PubMed

von Keyserlingk, C W; Simon, S H; Rosenow, Bernd

2015-09-18

Recent experiments use Fabry-Perot (FP) interferometry to claim that the ν=5/2 quantum Hall state exhibits non-Abelian topological order. We note that the experiments appear inconsistent with a model neglecting bulk-edge Coulomb coupling and Majorana tunneling, so we reexamine the theory of FP devices. Even a moderate Coulomb coupling may strongly affect some fractional plateaus, but very weakly affect others, allowing us to model the data over a wide range of plateaus. While experiments are consistent with the ν=5/2 state harboring Moore-Read topological order, they may have measured Coulomb effects rather than an "even-odd effect" due to non-Abelian braiding.

DNA bubble dynamics as a quantum Coulomb problem.

PubMed

Fogedby, Hans C; Metzler, Ralf

2007-02-16

We study the dynamics of denaturation bubbles in double-stranded DNA. Demonstrating that the associated Fokker-Planck equation is equivalent to a Coulomb problem, we derive expressions for the bubble survival distribution W(t). Below Tm, W(t) is associated with the continuum of scattering states of the repulsive Coulomb potential. At Tm, the Coulomb potential vanishes and W(t) assumes a power-law tail with nontrivial dynamic exponents: the critical exponent of the entropy loss factor may cause a finite mean lifetime. Above Tm (attractive potential), the long-time dynamics is controlled by the lowest bound state. Correlations and finite size effects are discussed.

Low-temperature electronic transport in single K(0.27)MnO(2)·0.5H(2)O nanowires: enhanced electron-electron interaction.

PubMed

Long, Y Z; Yin, Z H; Chen, Z J; Jin, A Z; Gu, C Z; Zhang, H T; Chen, X H

2008-05-28

The current-voltage (I-V) characteristics and electrical resistivity of isolated potassium manganese oxide (K(0.27)MnO(2)·0.5H(2)O) nanowires prepared by a simple hydrothermal method were investigated over a wide temperature range from 300 to 4 K. With lowering temperature, a transition from linear to nonlinear I-V curves was observed around 50 K, and a clear zero bias anomaly (i.e., Coulomb gap-like structure) appeared on the differential conductance (dI/dV) curves, possibly due to enhanced electron-electron interaction at low temperatures. The temperature dependence of resistivity, [Formula: see text], follows the Efros-Shklovskii (ES) law, as expected in the presence of a Coulomb gap. Here we note that both the ES law and Coulomb blockade can in principle lead to a reduced zero bias conductance at low temperatures; in this study we cannot exclude the possibility of Coulomb-blockade transport in the measured nanowires, especially in the low-temperature range. It is still an open question how to pin down the origin of the observed reduction to a Coulomb gap (ES law) or Coulomb blockade.

Kinetic theory for strongly coupled Coulomb systems

NASA Astrophysics Data System (ADS)

Dufty, James; Wrighton, Jeffrey

2018-01-01

The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density-functional theory (DFT) that allow a detailed treatment of electron correlations, but its origin is largely phenomenological; traditional kinetic theories have a more secure foundation but are limited to weak ion-electron interactions. The objective here is to show how a combination of the two evolves naturally from the short-time limit for the generator of the effective single-electron dynamics governing time correlation functions without such limitations. This provides a theoretical context for the current DFT-related approach, the Kubo-Greenwood model, while showing the nature of its corrections. The method is to calculate the short-time dynamics in the single-electron subspace for a given configuration of the ions. This differs from the usual kinetic theory approach in which an average over the ions is performed as well. In this way the effective ion-electron interaction includes strong Coulomb coupling and is shown to be determined from DFT. The correlation functions have the form of the random-phase approximation for an inhomogeneous system but with renormalized ion-electron and electron-electron potentials. The dynamic structure function, density response function, and electrical conductivity are calculated as examples. The static local field corrections in the dielectric function are identified in this way. The current analysis is limited to semiclassical electrons (quantum statistical potentials), so important quantum conditions are excluded. However, a quantization of the kinetic theory is identified for broader application while awaiting its detailed derivation.

The ghost propagator in Coulomb gauge

NASA Astrophysics Data System (ADS)

Watson, P.; Reinhardt, H.

2011-05-01

We present results for a numerical study of the ghost propagator in Coulomb gauge whereby lattice results for the spatial gluon propagator are used as input to solving the ghost Dyson-Schwinger equation. We show that in order to solve completely, the ghost equation must be supplemented by a boundary condition (the value of the inverse ghost propagator dressing function at zero momentum) which determines if the solution is critical (zero value for the boundary condition) or subcritical (finite value). The various solutions exhibit a characteristic behavior where all curves follow the same (critical) solution when going from high to low momenta until `forced' to freeze out in the infrared to the value of the boundary condition. The boundary condition can be interpreted in terms of the Gribov gauge-fixing ambiguity; we also demonstrate that this is not connected to the renormalization. Further, the connection to the temporal gluon propagator and the infrared slavery picture of confinement is discussed.

Fusion-fission and quasifission in the reactions with heavy ions leading to the formation of Hs

NASA Astrophysics Data System (ADS)

Itkis, I. M.; Itkis, M. G.; Knyazheva, G. N.; Kozulin, E. M.

2012-10-01

Mass and energy distributions of binary reaction products obtained in the reactions 22Ne+249Cf,26Mg+248Cm,36S+238U and 58Fe+208Pb leading to Hs isotopes have been measured. At energies below the Coulomb barrier the bimodal fission of Hs*, formed in the reaction 26Mg+248Cm, is observed. In the reaction 36S+238U the considerable part of the symmetric fragments arises from the quasifission process. At energies above the Coulomb barrier the symmetric fragments originate mainly from fusion-fission process for both reactions with Mg and S ions. In the case of the 58Fe+208Pb reaction the quasifission process dominates at all measured energies. The pre- and post-scission neutron multiplicities as a function of the fragment mass have been obtained for the reactions studied.

Structural distortions in monolayers of binary semiconductors

NASA Astrophysics Data System (ADS)

Kumari, Poonam; Debnath, Saikat; Mahadevan, Priya

2018-01-01

We examine the structural properties of free-standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A nonpolar buckled structure was found to be favored over a polar buckled structure. While an obvious reason for this may be traced to the contribution from dipole-dipole interactions present in the polar structure which would destabilize it with respect to the nonpolar structure, Coulomb interactions between electrons on the cations and anions are found to be the reason for the nonpolar structure to be favoured. A route to tune the Coulomb interaction between the electrons on the cations and anions is through biaxial tensile strain. This allows for a planar graphitic phase in CdS to be stabilized at just 2% tensile strain. Strain also shifts the valence band maximum from the Γ point to the K point, opening up opportunities for exploring spin-valley physics in these materials.

Ultraviolet absorption spectrum of the half-filled bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-07-01

We consider the optical properties of the half-filled AB-stacked bilayer graphene with the excitonic pairing and condensation between the layers. Both intra and interlayer local Coulomb interaction effects have been taken into account and the role of the exact Fermi energy has been discussed in details. We have calculated the absorption coefficient, refractive index, dielectric response functions and the electron energy loss spectrum for different interlayer Coulomb interaction regimes and for different temperatures. Considering the full four-band model for the interacting AB bilayer graphene, a good agreement is achieved with other theoretical and experimental works on the subject, in particular, limiting cases of the theory. The calculations, presented here, permit to estimate accurately the effects of excitonic pairing and condensation on the optical properties of the bilayer graphene. The modifications of the plasmon excitation spectrum are discussed in details for a very large interval of the interlayer interaction parameter.

Deceleration, precooling, and multi-pass stopping of highly charged ions in Be{sup +} Coulomb crystals

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

Schmöger, L., E-mail: lisa.schmoeger@mpi-hd.mpg.de; Schwarz, M.; Versolato, O. O.

2015-10-15

Preparing highly charged ions (HCIs) in a cold and strongly localized state is of particular interest for frequency metrology and tests of possible spatial and temporal variations of the fine structure constant. Our versatile preparation technique is based on the generic modular combination of a pulsed ion source with a cryogenic linear Paul trap. Both instruments are connected by a compact beamline with deceleration and precooling properties. We present its design and commissioning experiments regarding these two functionalities. A pulsed buncher tube allows for the deceleration and longitudinal phase-space compression of the ion pulses. External injection of slow HCIs, specificallymore » Ar{sup 13+}, into the linear Paul trap and their subsequent retrapping in the absence of sympathetic cooling is demonstrated. The latter proved to be a necessary prerequisite for the multi-pass stopping of HCIs in continuously laser-cooled Be{sup +} Coulomb crystals.« less

Helium like impurity in CdTe/ Cd1-xMnxTe semimagnetic semiconductors under magnetic field: Dimensionality effect on electron - Electron interaction

NASA Astrophysics Data System (ADS)

Kalpana, Panneer Selvam; Jayakumar, Kalyanasundaram

2017-11-01

We study the effect of magnetic field on the Coulomb interaction between the two electrons confined inside a CdTe/Cd1-xMnxTe Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD) for the composition of Mn2+ ion, x = 0.3. The two particle Schrodinger equation has been solved using variational technique in the effective mass approximation. The results show that the applied magnetic field tremendously alters the Coulomb interaction of the electrons and their binding to the donor impurity by shrinking the spatial extension of the two particle wavefunction and leads to tunnelling through the barrier. The qualitative phenomenon involved in such variation of electron - electron interaction with the magnetic field has also been explained through the 3D - plot of the probability density function.

Numerical built-in method for the nonlinear JRC/JCS model in rock joint.

PubMed

Liu, Qunyi; Xing, Wanli; Li, Ying

2014-01-01

The joint surface is widely distributed in the rock, thus leading to the nonlinear characteristics of rock mass strength and limiting the effectiveness of the linear model in reflecting characteristics. The JRC/JCS model is the nonlinear failure criterion and generally believed to describe the characteristics of joints better than other models. In order to develop the numerical program for JRC/JCS model, this paper established the relationship between the parameters of the JRC/JCS and Mohr-Coulomb models. Thereafter, the numerical implement method and implementation process of the JRC/JCS model were discussed and the reliability of the numerical method was verified by the shear tests of jointed rock mass. Finally, the effect of the JRC/JCS model parameters on the shear strength of the joint was analyzed.

Testing the Predictive Power of Coulomb Stress on Aftershock Sequences

NASA Astrophysics Data System (ADS)

Woessner, J.; Lombardi, A.; Werner, M. J.; Marzocchi, W.

2009-12-01

Empirical and statistical models of clustered seismicity are usually strongly stochastic and perceived to be uninformative in their forecasts, since only marginal distributions are used, such as the Omori-Utsu and Gutenberg-Richter laws. In contrast, so-called physics-based aftershock models, based on seismic rate changes calculated from Coulomb stress changes and rate-and-state friction, make more specific predictions: anisotropic stress shadows and multiplicative rate changes. We test the predictive power of models based on Coulomb stress changes against statistical models, including the popular Short Term Earthquake Probabilities and Epidemic-Type Aftershock Sequences models: We score and compare retrospective forecasts on the aftershock sequences of the 1992 Landers, USA, the 1997 Colfiorito, Italy, and the 2008 Selfoss, Iceland, earthquakes. To quantify predictability, we use likelihood-based metrics that test the consistency of the forecasts with the data, including modified and existing tests used in prospective forecast experiments within the Collaboratory for the Study of Earthquake Predictability (CSEP). Our results indicate that a statistical model performs best. Moreover, two Coulomb model classes seem unable to compete: Models based on deterministic Coulomb stress changes calculated from a given fault-slip model, and those based on fixed receiver faults. One model of Coulomb stress changes does perform well and sometimes outperforms the statistical models, but its predictive information is diluted, because of uncertainties included in the fault-slip model. Our results suggest that models based on Coulomb stress changes need to incorporate stochastic features that represent model and data uncertainty.

Quantum partner-dance in the 12C + 12C system yields sub-Coulomb fusion resonances

NASA Astrophysics Data System (ADS)

Diaz-Torres, Alexis; Wiescher, Michael

2014-03-01

A preliminary study of the 12C + 12C sub-Coulomb fusion reaction using the time-dependent wave-packet method is presented. The theoretical sub-Coulomb fusion resonances seem to correspond well with observations. The present method might be a more suitable tool for expanding the cross-section predictions towards lower energies than the commonly used potential-model approximation.

Renormalization of Coulomb interactions in s-wave superconductor NaxCoO2

NASA Astrophysics Data System (ADS)

Yada, Keiji; Kontani, Hiroshi

2007-03-01

We study the renormalized Coulomb interactions due to retardation effect in NaxCoO2. Although the Morel Anderson's pseudo-potential for a1g orbital μa1g* is relatively large because the direct Coulomb repulsion U is large, that for interband transition between a1g and eg' orbitals μa1g,eg'* is very small since the renormalization factor for pair hopping J is square of that for U. Therefore, the s-wave superconductivity due to valence-band Suhl-Kondo mechanism will survive against strong Coulomb interactions. The interband hopping of Cooper pairs due to shear phonons is essential to understand the superconductivity in NaxCoO2.

Coulomb branches with complex singularities

NASA Astrophysics Data System (ADS)

Argyres, Philip C.; Martone, Mario

2018-06-01

We construct 4d superconformal field theories (SCFTs) whose Coulomb branches have singular complex structures. This implies, in particular, that their Coulomb branch coordinate rings are not freely generated. Our construction also gives examples of distinct SCFTs which have identical moduli space (Coulomb, Higgs, and mixed branch) geometries. These SCFTs thus provide an interesting arena in which to test the relationship between moduli space geometries and conformal field theory data. We construct these SCFTs by gauging certain discrete global symmetries of N = 4 superYang-Mills (sYM) theories. In the simplest cases, these discrete symmetries are outer automorphisms of the sYM gauge group, and so these theories have lagrangian descriptions as N = 4 sYM theories with disconnected gauge groups.

Long-Range Coulomb Effect in Intense Laser-Driven Photoelectron Dynamics.

PubMed

Quan, Wei; Hao, XiaoLei; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Wang, YanLan; Sun, RenPing; Lai, XuanYang; Wu, ChengYin; Gong, QiHuang; He, XianTu; Liu, XiaoJun; Chen, Jing

2016-06-03

In strong field atomic physics community, long-range Coulomb interaction has for a long time been overlooked and its significant role in intense laser-driven photoelectron dynamics eluded experimental observations. Here we report an experimental investigation of the effect of long-range Coulomb potential on the dynamics of near-zero-momentum photoelectrons produced in photo-ionization process of noble gas atoms in intense midinfrared laser pulses. By exploring the dependence of photoelectron distributions near zero momentum on laser intensity and wavelength, we unambiguously demonstrate that the long-range tail of the Coulomb potential (i.e., up to several hundreds atomic units) plays an important role in determining the photoelectron dynamics after the pulse ends.

Temperature dependence of Coulomb oscillations in a few-layer two-dimensional WS2 quantum dot.

PubMed

Song, Xiang-Xiang; Zhang, Zhuo-Zhi; You, Jie; Liu, Di; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Guo, Guo-Ping

2015-11-05

Standard semiconductor fabrication techniques are used to fabricate a quantum dot (QD) made of WS2, where Coulomb oscillations were found. The full-width-at-half-maximum of the Coulomb peaks increases linearly with temperature while the height of the peaks remains almost independent of temperature, which is consistent with standard semiconductor QD theory. Unlike graphene etched QDs, where Coulomb peaks belonging to the same QD can have different temperature dependences, these results indicate the absence of the disordered confining potential. This difference in the potential-forming mechanism between graphene etched QDs and WS2 QDs may be the reason for the larger potential fluctuation found in graphene QDs.

Study of the effect of static/dynamic Coulomb friction variation at the tape-head interface of a spacecraft tape recorder by non-linear time response simulation

NASA Technical Reports Server (NTRS)

Mukhopadhyay, A. K.

1978-01-01

A description is presented of six simulation cases investigating the effect of the variation of static-dynamic Coulomb friction on servo system stability/performance. The upper and lower levels of dynamic Coulomb friction which allowed operation within requirements were determined roughly to be three times and 50% respectively of nominal values considered in a table. A useful application for the nonlinear time response simulation is the sensitivity analysis of final hardware design with respect to such system parameters as cannot be varied realistically or easily in the actual hardware. Parameters of the static/dynamic Coulomb friction fall in this category.

Temperature dependence of Coulomb oscillations in a few-layer two-dimensional WS2 quantum dot

PubMed Central

Song, Xiang-Xiang; Zhang, Zhuo-Zhi; You, Jie; Liu, Di; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Guo, Guo-Ping

2015-01-01

Standard semiconductor fabrication techniques are used to fabricate a quantum dot (QD) made of WS2, where Coulomb oscillations were found. The full-width-at-half-maximum of the Coulomb peaks increases linearly with temperature while the height of the peaks remains almost independent of temperature, which is consistent with standard semiconductor QD theory. Unlike graphene etched QDs, where Coulomb peaks belonging to the same QD can have different temperature dependences, these results indicate the absence of the disordered confining potential. This difference in the potential-forming mechanism between graphene etched QDs and WS2 QDs may be the reason for the larger potential fluctuation found in graphene QDs. PMID:26538164

Long-Range Coulomb Effect in Intense Laser-Driven Photoelectron Dynamics

PubMed Central

Quan, Wei; Hao, XiaoLei; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Wang, YanLan; Sun, RenPing; Lai, XuanYang; Wu, ChengYin; Gong, QiHuang; He, XianTu; Liu, XiaoJun; Chen, Jing

2016-01-01

In strong field atomic physics community, long-range Coulomb interaction has for a long time been overlooked and its significant role in intense laser-driven photoelectron dynamics eluded experimental observations. Here we report an experimental investigation of the effect of long-range Coulomb potential on the dynamics of near-zero-momentum photoelectrons produced in photo-ionization process of noble gas atoms in intense midinfrared laser pulses. By exploring the dependence of photoelectron distributions near zero momentum on laser intensity and wavelength, we unambiguously demonstrate that the long-range tail of the Coulomb potential (i.e., up to several hundreds atomic units) plays an important role in determining the photoelectron dynamics after the pulse ends. PMID:27256904

Long-range analysis of density fitting in extended systems

NASA Astrophysics Data System (ADS)

Varga, Scarontefan

Density fitting scheme is analyzed for the Coulomb problem in extended systems from the correctness of long-range behavior point of view. We show that for the correct cancellation of divergent long-range Coulomb terms it is crucial for the density fitting scheme to reproduce the overlap matrix exactly. It is demonstrated that from all possible fitting metric choices the Coulomb metric is the only one which inherently preserves the overlap matrix for infinite systems with translational periodicity. Moreover, we show that by a small additional effort any non-Coulomb metric fit can be made overlap-preserving as well. The problem is analyzed for both ordinary and Poisson basis set choices.

Enhanced production of ψ (2 S ) mesons in heavy ion collisions

NASA Astrophysics Data System (ADS)

Cho, Sungtae

2015-05-01

I study the production of a ψ (2 S ) meson in heavy ion collisions. I evaluate Wigner functions for the ψ (2 S ) meson using both Gaussian and Coulomb wave functions, and investigate the wave function dependence in the ψ (2 S ) meson production by recombination of charm and anticharm quarks. The enhanced transverse momentum distribution of ψ (2 S ) mesons compared to that of J /ψ mesons, originated from wave function distributions of the ψ (2 S ) and J /ψ meson in momentum space, provides a plausible explanation for the recent measurement of the nuclear modification factor ratio between the ψ (2 S ) and J /ψ meson.

Spectral representation of the three-body Coulomb problem. I. Nonautoionizing doubly excited states of high angular momentum in helium

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

Eiglsperger, Johannes; Piraux, Bernard; Madronero, Javier

2010-04-15

We investigate high-lying doubly excited nonautoionizing states of helium with total angular momentum L=1,2,...,9 with the help of a configuration interaction approach. We provide highly precise nonrelativistic energies of these states and discuss the properties of the wave functions with respect to the particle exchange operator.

Facile synthesis of a SiOx/asphalt membrane for high performance lithium-ion battery anodes.

PubMed

Xu, Quan; Sun, Jian-Kun; Li, Ge; Li, Jin-Yi; Yin, Ya-Xia; Guo, Yu-Guo

2017-11-07

Herein, a novel SiO x /asphalt membrane was facilely synthesized via demulsification of porous SiO x microspheres. After high temperature pyrolysis, SiO x /carbon composites not only could function as binder-free anodes, but could also exhibit excellent cycling stability and high initial Coulombic efficiency as anodes for practical application.

Equivalence of the AdS-metric and the QCD running coupling

NASA Astrophysics Data System (ADS)

Pirner, H. J.; Galow, B.

2009-08-01

We use the functional form of the QCD running coupling to modify the conformal metric in AdS/CFT mapping the fifth-dimensional z-coordinate to the energy scale in the four-dimensional QCD. The resulting type-0 string theory in five dimensions is solved with the Nambu-Goto action giving good agreement with the Coulombic and confinement QQbar potential.

Translation and integration of numerical atomic orbitals in linear molecules

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

Heinäsmäki, Sami, E-mail: sami.heinasmaki@gmail.com

2014-02-14

We present algorithms for translation and integration of atomic orbitals for LCAO calculations in linear molecules. The method applies to arbitrary radial functions given on a numerical mesh. The algorithms are based on pseudospectral differentiation matrices in two dimensions and the corresponding two-dimensional Gaussian quadratures. As a result, multicenter overlap and Coulomb integrals can be evaluated effectively.

Coulomb blockade based field-effect transistors exploiting stripe-shaped channel geometries of self-assembled metal nanoparticles.

PubMed

Lehmann, Hauke; Willing, Svenja; Möller, Sandra; Volkmann, Mirjam; Klinke, Christian

2016-08-14

Metallic nanoparticles offer possibilities to build basic electric devices with new functionality and improved performance. Due to the small volume and the resulting low self-capacitance, each single nanoparticle exhibits a high charging energy. Thus, a Coulomb-energy gap emerges during transport experiments that can be shifted by electric fields, allowing for charge transport whenever energy levels of neighboring particles match. Hence, the state of the device changes sequentially between conducting and non-conducting instead of just one transition from conducting to pinch-off as in semiconductors. To exploit this behavior for field-effect transistors, it is necessary to use uniform nanoparticles in ordered arrays separated by well-defined tunnel barriers. In this work, CoPt nanoparticles with a narrow size distribution are synthesized by colloidal chemistry. These particles are deposited via the scalable Langmuir-Blodgett technique as ordered, homogeneous monolayers onto Si/SiO2 substrates with pre-patterned gold electrodes. The resulting nanoparticle arrays are limited to stripes of adjustable lengths and widths. In such a defined channel with a limited number of conduction paths the current can be controlled precisely by a gate voltage. Clearly pronounced Coulomb oscillations are observed up to temperatures of 150 K. Using such systems as field-effect transistors yields unprecedented oscillating current modulations with on/off-ratios of around 70%.

Quantum dynamics in phase space: Moyal trajectories 2

NASA Astrophysics Data System (ADS)

Braunss, G.

2013-01-01

Continuing a previous paper [G. Braunss, J. Phys. A: Math. Theor. 43, 025302 (2010), 10.1088/1751-8113/43/2/025302] where we had calculated ℏ2-approximations of quantum phase space viz. Moyal trajectories of examples with one and two degrees of freedom, we present in this paper the calculation of ℏ2-approximations for four examples: a two-dimensional Toda chain, the radially symmetric Schwarzschild field, and two examples with three degrees of freedom, the latter being the nonrelativistic spherically Coulomb potential and the relativistic cylinder symmetrical Coulomb potential with a magnetic field H. We show in particular that an ℏ2-approximation of the nonrelativistic Coulomb field has no singularity at the origin (r = 0) whereas the classical trajectories are singular at r = 0. In the third example, we show in particular that for an arbitrary function γ(H, z) the expression β ≡ pz + γ(H, z) is classically (ℏ = 0) a constant of motion, whereas for ℏ ≠ 0 this holds only if γ(H, z) is an arbitrary polynomial of second order in z. This statement is shown to extend correspondingly to a cylinder symmetrical Schwarzschild field with a magnetic field. We exhibit in detail a number of properties of the radially symmetric Schwarzschild field. We exhibit finally the problems of the nonintegrable Hénon-Heiles Hamiltonian and give a short review of the regular Hilbert space representation of Moyal operators.

Polaron-mediated surface reconstruction in the reduced Rutile TiO2 (110) surface

NASA Astrophysics Data System (ADS)

Reticcioli, Michele; Setvin, Martin; Hao, Xianfeng; Diebold, Ulrike; Franchini, Cesare

The role of polarons is of key importance for the understanding of the fundamental properties and functionalities of TiO2. We use density functional theory with an on-site Coulomb interaction and molecular dynamics to study the formation and dynamics of small polarons in the reduced rutile (110) surface. We show that excess electrons donated by oxygen-vacancies (VO) form mobile small polarons that hop easily in subsurface and surface Ti-sites. The polaron formation becomes more favorable by increasing the VO concentration level (up to 20%) due to the progressively lower energy cost needed to distort the lattice. However, at higher VO concentration the shortening of the averaged polaron-polaron distance leads to an increased Coulomb repulsion among the trapped charges at the Ti-sites, which weakens this trend. This instability is overtaken by means of a structural 1 × 2 surface reconstruction, characterized by a distinctively more favorable polaron distribution. The calculations are validated by a direct comparison with experimental AFM and STM data. Our study identifies a fundamentally novel mechanism to drive surface reconstructions and resolves a long standing issue on the origin of the reconstruction in rutile (110) surface.

The Measurement of the Evaporation Residues Excitation Functions in the Fusion Reactions 144Sm (40Ar,xn) and 166Er(40Ar,xn)

NASA Astrophysics Data System (ADS)

Chernysheva, E. V.; Rodin, A. M.; Belozerov, A. V.; Dmitriev, S. N.; Gulyaev, A. V.; Gulyaeva, A. V.; Itkis, M. G.; Novoselov, A. S.; Oganessian, Yu. Ts.; Salamatin, V. S.; Stepantsov, S. V.; Vedeneev, V. Yu.; Yukhimchuk, S. A.; Krupa, L.; Kliman, J.; Motycak, S.; Sivacek, I.

2015-06-01

The evaporation residues excitation functions for the reactions 40Ar+144Sm→184Hg and 40Ar+166Er→206Rn were measured at the energies below and above the Coulomb barrier (Elab=142-207 MeV) using a mass-separator MASHA. The experimental data were compared with theoretical calculations using a Channel Coupling Model. The influence of experimental beam energy spread on the excitation functions was taking into account. It was found that structure of xn-cross sections correlate strongly with the nuclear structure of colliding nuclei.

Charles Augustin Coulomb and the fundamental law of electrostatics

NASA Astrophysics Data System (ADS)

Falconer, Isobel

2004-10-01

In his famous experiment on the inverse square law of electrostatics, Coulomb neither defined electric charge nor gave reliable measurements of the force-distance relation. Yet the experiment has often been viewed as the basis of the fundamental law of electrostatics. This paper discusses Coulomb's life, showing the context within which he was working, how he arrived at the experiment, and the use he made of it. Physics in France in the late 18th century was undergoing a transformation from a science of holistic observation and explanations to one of universal laws and exact measurement. Coulomb was both a subject of, and an important contributor to, this change, and these two aspects are evident in his approach to the experiment and to the later uptake of his results. The reaction in the rest of Europe was initially less favourable, and the ultimate fame of Coulomb's experiment was dependent on the triumph of French mathematical physics in the 19th century.

Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

NASA Technical Reports Server (NTRS)

Maung, Khin Maung; Kahana, David E.; Norbury, John W.

1992-01-01

Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

Nonconventional screening of the Coulomb interaction in FexOy clusters: An ab initio study

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Rossen, S.; Friedrich, C.; Blügel, S.; Katsnelson, M. I.

2017-04-01

From microscopic point-dipole model calculations of the screening of the Coulomb interaction in nonpolar systems by polarizable atoms, it is known that screening strongly depends on dimensionality. For example, in one-dimensional systems, the short-range interaction is screened, while the long-range interaction is antiscreened. This antiscreening is also observed in some zero-dimensional structures, i.e., molecular systems. By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the FLAPW method, we study screening of the Coulomb interaction in FexOy clusters. For completeness, these results are compared with their bulk counterpart magnetite. It appears that the on-site Coulomb interaction is very well screened both in the clusters and bulk. On the other hand, for the intersite Coulomb interaction, the important observation is made that it is almost constant throughout the clusters, while for the bulk it is almost completely screened. More precisely and interestingly, in the clusters antiscreening is observed by means of ab initio calculations.

Self-energy effect and Coulomb potential modulation of the exciton in monolayer MoS2 on polar substrate

NASA Astrophysics Data System (ADS)

Wang, Zi-Wu; Xiao, Yao; Li, Run-Ze; Li, Wei-Ping; Li, Zhi-Qing

2017-11-01

We theoretically investigate the correction of exciton binding energy in monolayer MoS2 resulting from the exciton couples with surface optical (SO) phonons induced by polar substrate. The total correction of binding energy can be divided into the self-energy effect and modification of Coulomb potential using the unitary transformation method. We find that both the self-energy and Coulomb potential vary from tens of meV to several hundreds of meV depending on the cut-off wave vector of SO phonon modes, polarizability of substrate materials and internal distance between the monolayer MoS2 and polar substrate. An effective Coulomb potential is obtained by combining the modified term into the Coulomb potential. This potentially could be widely used in various two-dimensional materials. Our theoretical results not only propose the ways to externally control the exciton binding energy in experiment, but also enrich the understanding of the exciton properties in the dielectric environment.

Role of stress triggering in earthquake migration on the North Anatolian fault

USGS Publications Warehouse

Stein, R.S.; Dieterich, J.H.; Barka, A.A.

1996-01-01

Ten M???6.7 earthquakes ruptured 1,000 km of the North Anatolian fault (Turkey) during 1939-92, providing an unsurpassed opportunity to study how one large shock sets up the next. Calculations of the change in Coulomb failure stress reveal that 9 out of 10 ruptures were brought closer to failure by the preceding shocks, typically by 5 bars, equivalent to 20 years of secular stressing. We translate the calculated stress changes into earthquake probabilities using an earthquake-nucleation constitutive relation, which includes both permanent and transient stress effects. For the typical 10-year period between triggering and subsequent rupturing shocks in the Anatolia sequence, the stress changes yield an average three-fold gain in the ensuing earthquake probability. Stress is now calculated to be high at several isolated sites along the fault. During the next 30 years, we estimate a 15% probability of a M???6.7 earthquake east of the major eastern center of Erzincan, and a 12% probability for a large event south of the major western port city of Izmit. Such stress-based probability calculations may thus be useful to assess and update earthquake hazards elsewhere. ?? 1997 Elsevier Science Ltd.

Impact of sea-level rise on earthquake and landslide triggering offshore the Alentejo margin (SW Iberia)

NASA Astrophysics Data System (ADS)

Neves, M. C.; Roque, C.; Luttrell, K. M.; Vázquez, J. T.; Alonso, B.

2016-12-01

Earthquakes and submarine landslides are recurrent and widespread manifestations of fault activity offshore SW Iberia. The present work tests the effects of sea-level rise on offshore fault systems using Coulomb stress change calculations across the Alentejo margin. Large-scale faults capable of generating large earthquakes and tsunamis in the region, especially NE-SW trending thrusts and WNW-ESE trending dextral strike-slip faults imaged at basement depths, are either blocked or unaffected by flexural effects related to sea-level changes. Large-magnitude earthquakes occurring along these structures may, therefore, be less frequent during periods of sea-level rise. In contrast, sea-level rise promotes shallow fault ruptures within the sedimentary sequence along the continental slope and upper rise within distances of <100 km from the coast. The results suggest that the occurrence of continental slope failures may either increase (if triggered by shallow fault ruptures) or decrease (if triggered by deep fault ruptures) as a result of sea-level rise. Moreover, observations of slope failures affecting the area of the Sines contourite drift highlight the role of sediment properties as preconditioning factors in this region.

Non-inverse-square force-distance law for long thin magnets-revisited.

PubMed

Darvell, Brian W; Gilding, Brian H

2012-05-01

It had previously been shown that the inverse-square law does not apply to the force-distance relationship in the case of a long, thin magnet with one end in close proximity to its image in a permeable plane when simple point-like poles are assumed. Treating the system instead as having a 'polar disc', arising from an assumed bundle of dipoles, led to a double integral that could only be evaluated numerically, and a relationship that still did not match observed behavior. Using an elaborate 'stretched' exponential polynomial to represent the position of an 'elastic' polar disc resulted in a fair representation of the physical response, but this was essentially merely the fitting of an arbitrary function. The present purpose was therefore to find an explicit formula for the force-distance relationship in the polar-disc problem and assess its fit to the previously obtained experimental data. Starting from Coulomb's law a corrected integral formula for the force-distance relationship was derived. The integral in this formula was evaluated explicitly using rescaling, changes of order of integration, reduction by symmetry, and change of variables. The resulting formula was then fitted to data that had been obtained for the force exerted by eighty-five rod-shaped magnets (Alnico V, 3 mm diameter, 170 mm long) perpendicular to a large steel plate, as a function of distance, at small separations (<5 mm). Subsequently, the fit of alternative functions was explored. An explicit formula in terms of elliptic integrals was obtained for the polar-disc problem. Despite the greater fidelity, this too was found not to fit the observed physical behavior. Given that failure, nevertheless a simple formula that conforms closely and parsimoniously to the actual magnet data was found. A key feature remains the marked departure from inverse-square behavior. The failure of the explicit formula to fit the data indicates an inadequate model of the physical system. Nonetheless it constitutes a useful tool for quantifying the force-distance relationship on the premise of polar discs. Given these insights, it may now be possible to address the original motivating problem of the behavior of real dental magnets. Copyright © 2012 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Stress transfer by the 1988-1989 M=5.3 and 5.4 Lake Elsman foreshocks to the Loma Prieta fault: Unclamping at the site of peak mainshock slip

USGS Publications Warehouse

Perfettini, H.; Stein, R.S.; Simpson, R.; Cocco, M.

1999-01-01

We study the stress transferred by the June 27, 1988, M=5.3 and August 8, 1989, M=5.4 Lake Elsman earthquakes, the largest events to strike within 15 km of the future Loma Prieta rupture zone during 74 years before the 1989 M=6.9 Loma Prieta earthquake. We find that the first Lake Elsman event brought the rupture plane of the second event 0.3-1.6 bars (0.03-0.16 MPa) closer to Coulomb failure but that the Lake Elsman events did not bring the future Loma Prieta hypocentral zone closer to failure. Instead, the Lake Elsman earthquakes are calculated to have reduced the normal stress on (or "undamped") the Loma Prieta rupture surface by 0.5-1.0 bar (0.05-0.10 MPa) at the site where the greatest slip subsequently occurred in the Loma Prieta earthquake. This association between the sites of peak unclamping and slip suggests that the Lake Elsman events did indeed influence the Loma Prieta rupture process. Unclamping the fault would have locally lowered the resistance to sliding. Such an effect could have been enhanced if the lowered normal stress permitted fluid infusion into the undamped part of the fault. Although less well recorded, the ML=5.0 1964 and ML=5.3 1967 Corralitos events struck within 10 km of the southwest end of the future Loma Prieta rupture. No similar relationship between the normal stress change and subsequent Loma Prieta slip is observed, although the high-slip patch southwest of the Loma Prieta epicenter corresponds roughly to the site of calculated Coulomb stress increase for a low coefficient of friction. The Lake Elsman-Loma Prieta result is similar to that for the 1987 M=6.2 Elmore Ranch and M=6.7 Superstition Hills earthquakes, suggesting that foreshocks might influence the distribution of mainshock slip rather than the site of mainshock nucleation. Copyright 1999 by the American Geophysical Union.

Effective on-site Coulomb interaction and electron configurations in transition-metal complexes from constraint density functional theory

NASA Astrophysics Data System (ADS)

Nawa, Kenji; Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

Effective on-site Coulomb interactions (Ueff) and electron configurations in the localized d and f orbitals of metal complexes in transition-metal oxides and organometallic molecules, play a key role in the first-principles search for the true ground-state. However, wide ranges of values in the Ueff parameter of a material, even in the same ionic state, are often reported. Here, we revisit this issue from constraint density functional theory (DFT) by using the full-potential linearized augmented plane wave method. The Ueff parameters for prototypical transition-metal oxides, TMO (TM =Mn, Fe, Co, Ni), were calculated by the second derivative of the total energy functional with respect to the d occupation numbers inside the muffin-tin (MT) spheres as a function of the sphere radius. We find that the calculated Ueff values depend significantly on the MT radius, with a variation of more than 3 eV when the MT radius changes from 2.0 to 2.7 a.u., but importantly an identical valence band structure can be produced in all the cases, with an approximate scaling of Ueff. This indicates that a simple transferability of the Ueff value among different calculation methods is not allowed. We further extend the constraint DFT to treat various electron configurations of the localized d-orbitals in organometallic molecules, TMCp2 (TM =Cr, Mn, Fe, Co, Ni), and find that the calculated Ueff values can reproduce the experimentally determined ground-state electron configurations.

Rhombic Coulomb diamonds in a single-electron transistor based on an Au nanoparticle chemically anchored at both ends.

PubMed

Azuma, Yasuo; Onuma, Yuto; Sakamoto, Masanori; Teranishi, Toshiharu; Majima, Yutaka

2016-02-28

Rhombic Coulomb diamonds are clearly observed in a chemically anchored Au nanoparticle single-electron transistor. The stability diagrams show stable Coulomb blockade phenomena and agree with the theoretical curve calculated using the orthodox model. The resistances and capacitances of the double-barrier tunneling junctions between the source electrode and the Au core (R1 and C1, respectively), and those between the Au core and the drain electrode (R2 and C2, respectively), are evaluated as 4.5 MΩ, 1.4 aF, 4.8 MΩ, and 1.3 aF, respectively. This is determined by fitting the theoretical curve against the experimental Coulomb staircases. Two-methylene-group short octanedithiols (C8S2) in a C8S2/hexanethiol (C6S) mixed self-assembled monolayer is concluded to chemically anchor the core of the Au nanoparticle at both ends between the electroless-Au-plated nanogap electrodes even when the Au nanoparticle is protected by decanethiol (C10S). This is because the R1 value is identical to that of R2 and corresponds to the tunneling resistances of the octanedithiol chemically bonded with the Au core and the Au electrodes. The dependence of the Coulomb diamond shapes on the tunneling resistance ratio (R1/R2) is also discussed, especially in the case of the rhombic Coulomb diamonds. Rhombic Coulomb diamonds result from chemical anchoring of the core of the Au nanoparticle at both ends between the electroless-Au-plated nanogap electrodes.

Left atrial function in heart failure with impaired and preserved ejection fraction.

PubMed

Fang, Fang; Lee, Alex Pui-Wai; Yu, Cheuk-Man

2014-09-01

Left atrial structural and functional changes in heart failure are relatively ignored parts of cardiac assessment. This review illustrates the pathophysiological and functional changes in left atrium in heart failure as well as their prognostic value. Heart failure can be divided into those with systolic dysfunction and heart failure with preserved ejection fraction (HFPEF). Left atrial enlargement and dysfunction commonly occur in systolic heart failure, in particular, in idiopathic dilated cardiomyopathy. Atrial enlargement and dysfunction also carry important prognostic value in systolic heart failure, independently of known parameters such as left ventricular ejection fraction. In HFPEF, there is evidence of left atrial enlargement, impaired atrial compliance, and reduction of atrial pump function. This occurs not only at rest but also during exercise, indicating significant impairment of atrial contractile reserve. Furthermore, atrial dyssynchrony is common in HFPEF. These factors further contribute to the development of new onset or progression of atrial arrhythmias, in particular, atrial fibrillation. Left atrial function is an integral part of cardiac function and its structural and functional changes in heart failure are common. As changes of left atrial structure and function have different clinical implications in systolic heart failure and HFPEF, routine assessment is warranted.

Stress transfer to the Denali and other regional faults from the M 9.2 Alaska earthquake of 1964

USGS Publications Warehouse

Bufe, C.G.

2004-01-01

Stress transfer from the great 1964 Prince William Sound earthquake is modeled on the Denali fault, including the Denali-Totschunda fault segments that ruptured in 2002, and on other regional fault systems where M 7.5 and larger earthquakes have occurred since 1900. The results indicate that analysis of Coulomb stress transfer from the dominant earthquake in a region is a potentially powerful tool in assessing time-varying earthquake hazard. Modeled Coulomb stress increases on the northern Denali and Totschunda faults from the great 1964 earthquake coincide with zones that ruptured in the 2002 Denali fault earthquake, although stress on the Susitna Glacier thrust plane, where the 2002 event initiated, was decreased. A southeasterlytrending Coulomb stress transect along the right-lateral Totschunda-Fairweather-Queen Charlotte trend shows stress transfer from the 1964 event advancing slip on the Totschunda, Fairweather, and Queen Charlotte segments, including the southern Fairweather segment that ruptured in 1972. Stress transfer retarding right-lateral strike slip was observed from the southern part of the Totschunda fault to the northern end of the Fairweather fault (1958 rupture). This region encompasses a gap with shallow thrust faulting but with little evidence of strike-slip faulting connecting the segments to the northwest and southeast. Stress transfer toward failure was computed on the north-south trending right-lateral strike-slip faults in the Gulf of Alaska that ruptured in 1987 and 1988, with inhibitory stress changes at the northern end of the northernmost (1987) rupture. The northern Denali and Totschunda faults, including the zones that ruptured in the 2002 earthquakes, follow very closely (within 3%), for about 90??, an arc of a circle of radius 375 km. The center of this circle is within a few kilometers of the intersection at depth of the Patton Bay fault with the Alaskan megathrust. This inferred asperity edge may be the pole of counterclockwise rotation of the block south of the Denali fault. These observations suggest that the asperity and its recurrent rupture in great earthquakes as in 1964 may have influenced the tectonics of the region during the later stages of evolution of the Denali strike-slip fault system.

Sea-level response to melting of Antarctic ice shelves on multi-centennial timescales with the fast Elementary Thermomechanical Ice Sheet model (f.ETISh v1.0)

NASA Astrophysics Data System (ADS)

Pattyn, Frank

2017-08-01

The magnitude of the Antarctic ice sheet's contribution to global sea-level rise is dominated by the potential of its marine sectors to become unstable and collapse as a response to ocean (and atmospheric) forcing. This paper presents Antarctic sea-level response to sudden atmospheric and oceanic forcings on multi-centennial timescales with the newly developed fast Elementary Thermomechanical Ice Sheet (f.ETISh) model. The f.ETISh model is a vertically integrated hybrid ice sheet-ice shelf model with vertically integrated thermomechanical coupling, making the model two-dimensional. Its marine boundary is represented by two different flux conditions, coherent with power-law basal sliding and Coulomb basal friction. The model has been compared to existing benchmarks. Modelled Antarctic ice sheet response to forcing is dominated by sub-ice shelf melt and the sensitivity is highly dependent on basal conditions at the grounding line. Coulomb friction in the grounding-line transition zone leads to significantly higher mass loss in both West and East Antarctica on centennial timescales, leading to 1.5 m sea-level rise after 500 years for a limited melt scenario of 10 m a-1 under freely floating ice shelves, up to 6 m for a 50 m a-1 scenario. The higher sensitivity is attributed to higher ice fluxes at the grounding line due to vanishing effective pressure. Removing the ice shelves altogether results in a disintegration of the West Antarctic ice sheet and (partially) marine basins in East Antarctica. After 500 years, this leads to a 5 m and a 16 m sea-level rise for the power-law basal sliding and Coulomb friction conditions at the grounding line, respectively. The latter value agrees with simulations by DeConto and Pollard (2016) over a similar period (but with different forcing and including processes of hydrofracturing and cliff failure). The chosen parametrizations make model results largely independent of spatial resolution so that f.ETISh can potentially be integrated in large-scale Earth system models.

Extension of the Kohn-Sham formulation of density functional theory to finite temperature

DOE PAGES

Gonis, A.; Dane, M.

2017-12-20

Based on Mermin's extension of the Hohenberg and Kohn theorems to non-zero temperature, the Kohn-Sham formulation of density functional theory (KS-DFT) is generalized to finite temperature. Here, we show that present formulations are inconsistent with Mermin's functional containing expressions, in particular describing the Coulomb energy, that defy derivation and are even in violation of rules of logical inference. More; current methodology is in violation of fundamental laws of both quantum and classical mechanics. Based on this feature, we demonstrate the impossibility of extending the KS formalism to finite temperature through the self-consistent solutions of the single-particle Schrödinger equation of T>0.more » Guided by the form of Mermin's functional that depends on the eigenstates of a Hamiltonian, determined at T>0 we base our extension of KS-DFT on the determination of the excited states of a non-interacting system at the zero of temperature. The resulting formulation is consistent with that of Mermin constructing the free energy at T>0 in terms of the excited states of a non-interacting Hamiltonian (system) that, within the KS formalism, are described by Slater determinants. To determine the excited states at T=0 use is made of the extension of the Hohenberg and Kohn theorems to excited states presented in previous work applied here to a non-interacting collection of replicas of a non-interacting N-particle system, whose ground state density is taken to match that of K non-interacting replicas of an interacting N-particle system at T>0. The formalism allows for an ever denser population of the excitation spectrum of a Hamiltonian, within the KS approximation. The form of the auxiliary potential, (Kohn-Sham potential), is formally identical to that in the ground state formalism with the contribution of the Coulomb energy provided by the derivative of the Coulomb energy in all excited states taken into account. Once the excited states are determined, the minimum of the free energy within the KS formalism follows immediately in the form of Mermin's functional, but with the exact excited states in that functional represented by Slater determinants obtained through self-consistency conditions at the zero of temperature. Lastly, it is emphasized that, in departure from all existing formulations, no self-consistency conditions are implemented at finite T; as we show, in fact, such formulations are rigorously blocked.« less

Extension of the Kohn-Sham formulation of density functional theory to finite temperature

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

Gonis, A.; Dane, M.

Based on Mermin's extension of the Hohenberg and Kohn theorems to non-zero temperature, the Kohn-Sham formulation of density functional theory (KS-DFT) is generalized to finite temperature. Here, we show that present formulations are inconsistent with Mermin's functional containing expressions, in particular describing the Coulomb energy, that defy derivation and are even in violation of rules of logical inference. More; current methodology is in violation of fundamental laws of both quantum and classical mechanics. Based on this feature, we demonstrate the impossibility of extending the KS formalism to finite temperature through the self-consistent solutions of the single-particle Schrödinger equation of T>0.more » Guided by the form of Mermin's functional that depends on the eigenstates of a Hamiltonian, determined at T>0 we base our extension of KS-DFT on the determination of the excited states of a non-interacting system at the zero of temperature. The resulting formulation is consistent with that of Mermin constructing the free energy at T>0 in terms of the excited states of a non-interacting Hamiltonian (system) that, within the KS formalism, are described by Slater determinants. To determine the excited states at T=0 use is made of the extension of the Hohenberg and Kohn theorems to excited states presented in previous work applied here to a non-interacting collection of replicas of a non-interacting N-particle system, whose ground state density is taken to match that of K non-interacting replicas of an interacting N-particle system at T>0. The formalism allows for an ever denser population of the excitation spectrum of a Hamiltonian, within the KS approximation. The form of the auxiliary potential, (Kohn-Sham potential), is formally identical to that in the ground state formalism with the contribution of the Coulomb energy provided by the derivative of the Coulomb energy in all excited states taken into account. Once the excited states are determined, the minimum of the free energy within the KS formalism follows immediately in the form of Mermin's functional, but with the exact excited states in that functional represented by Slater determinants obtained through self-consistency conditions at the zero of temperature. Lastly, it is emphasized that, in departure from all existing formulations, no self-consistency conditions are implemented at finite T; as we show, in fact, such formulations are rigorously blocked.« less

Quantum cellular automata

NASA Astrophysics Data System (ADS)

Porod, Wolfgang; Lent, Craig S.; Bernstein, Gary H.

1994-06-01

The Notre Dame group has developed a new paradigm for ultra-dense and ultra-fast information processing in nanoelectronic systems. These Quantum Cellular Automata (QCA's) are the first concrete proposal for a technology based on arrays of coupled quantum dots. The basic building block of these cellular arrays is the Notre Dame Logic Cell, as it has been called in the literature. The phenomenon of Coulomb exclusion, which is a synergistic interplay of quantum confinement and Coulomb interaction, leads to a bistable behavior of each cell which makes possible their use in large-scale cellular arrays. The physical interaction between neighboring cells has been exploited to implement logic functions. New functionality may be achieved in this fashion, and the Notre Dame group invented a versatile majority logic gate. In a series of papers, the feasibility of QCA wires, wire crossing, inverters, and Boolean logic gates was demonstrated. A major finding is that all logic functions may be integrated in a hierarchial fashion which allows the design of complicated QCA structures. The most complicated system which was simulated to date is a one-bit full adder consisting of some 200 cells. In addition to exploring these new concepts, efforts are under way to physically realize such structures both in semiconductor and metal systems. Extensive modeling work of semiconductor quantum dot structures has helped identify optimum design parameters for QCA experimental implementations.

Renormalization in Coulomb-gauge QCD within the Lagrangian formalism

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

Niegawa, A.

2006-08-15

We study renormalization of Coulomb-gauge QCD within the Lagrangian, second-order, formalism. We derive a Ward identity and the Zinn-Justin equation, and, with the help of the latter, we give a proof of algebraic renormalizability of the theory. Through diagrammatic analysis, we show that, in the strict Coulomb gauge, g{sup 2}D{sup 00} is invariant under renormalization. (D{sup 00} is the time-time component of the gluon propagator.)

Analysis of Electrical Transport and Noise Mechanisms in Amorphous Silicon

DTIC Science & Technology

2015-11-23

and Skhlovskii [9] considered the long range Coulomb interaction and found that it reduces the DOS to zero at the Fermi level, thereby creating a so...called “ Coulomb gap (CG)” at low enough temperatures. This form of hopping conductivity results when an electron migrates from one site to another...site leaving a positively charged vacancy. For hopping to occur, the electron must have sufficient energy to overcome this Coulomb interaction

In-gap corner states in core-shell polygonal quantum rings.

PubMed

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-10

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

In-gap corner states in core-shell polygonal quantum rings

NASA Astrophysics Data System (ADS)

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-01

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

On the Klein–Gordon oscillator subject to a Coulomb-type potential

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

Bakke, K., E-mail: kbakke@fisica.ufpb.br; Furtado, C., E-mail: furtado@fisica.ufpb.br

2015-04-15

By introducing the scalar potential as modification in the mass term of the Klein–Gordon equation, the influence of a Coulomb-type potential on the Klein–Gordon oscillator is investigated. Relativistic bound states solutions are achieved to both attractive and repulsive Coulomb-type potentials and the arising of a quantum effect characterized by the dependence of angular frequency of the Klein–Gordon oscillator on the quantum numbers of the system is shown. - Highlights: • Interaction between the Klein–Gordon oscillator and a modified mass term. • Relativistic bound states for both attractive and repulsive Coulomb-type potentials. • Dependence of the Klein–Gordon oscillator frequency on themore » quantum numbers. • Relativistic analogue of a position-dependent mass system.« less

Coulomb explosion of the hot spot of micropinches

NASA Astrophysics Data System (ADS)

Oreshkin, V. I.; Oreshkin, E. V.

2017-01-01

It has been shown that the generation of hard X-ray radiation, electron beam, and high energy ions that have been detected in experiments on compressing pinches can be related to the Coulomb explosion of a micropinch hot spot, which is formed due to the outflow of the material. In the outflow process, the plasma temperature in the hot spot increases and conditions appear for the transition of electrons to the regime of continuous acceleration. The exit of runaway electrons from the hot spot region leads to the creation of a positive bulk charge, then to a Coulomb explosion. Conditions under which electrons pass to the continuous acceleration regime have been determined and estimates of the ion kinetic energy upon a Coulomb explosion have been obtained.

Frictional Magneto-Coulomb Drag in Graphene Double-Layer Heterostructures.

PubMed

Liu, Xiaomeng; Wang, Lei; Fong, Kin Chung; Gao, Yuanda; Maher, Patrick; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Dean, Cory; Kim, Philip

2017-08-04

Coulomb interaction between two closely spaced parallel layers of conductors can generate the frictional drag effect by interlayer Coulomb scattering. Employing graphene double layers separated by few-layer hexagonal boron nitride, we investigate density tunable magneto- and Hall drag under strong magnetic fields. The observed large magnetodrag and Hall-drag signals can be related with Laudau level filling status of the drive and drag layers. We find that the sign and magnitude of the drag resistivity tensor can be quantitatively correlated to the variation of magnetoresistivity tensors in the drive and drag layers, confirming a theoretical formula for magnetodrag in the quantum Hall regime. The observed weak temperature dependence and ∼B^{2} dependence of the magnetodrag are qualitatively explained by Coulomb scattering phase-space argument.

The topology of the Coulomb potential density. A comparison with the electron density, the virial energy density, and the Ehrenfest force density.

PubMed

Ferreira, Lizé-Mari; Eaby, Alan; Dillen, Jan

2017-12-15

The topology of the Coulomb potential density has been studied within the context of the theory of Atoms in Molecules and has been compared with the topologies of the electron density, the virial energy density and the Ehrenfest force density. The Coulomb potential density is found to be mainly structurally homeomorphic with the electron density. The Coulomb potential density reproduces the non-nuclear attractor which is observed experimentally in the molecular graph of the electron density of a Mg dimer, thus, for the first time ever providing an alternative and energetic foundation for the existence of this critical point. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Metal nanoparticle film-based room temperature Coulomb transistor.

PubMed

Willing, Svenja; Lehmann, Hauke; Volkmann, Mirjam; Klinke, Christian

2017-07-01

Single-electron transistors would represent an approach to developing less power-consuming microelectronic devices if room temperature operation and industry-compatible fabrication were possible. We present a concept based on stripes of small, self-assembled, colloidal, metal nanoparticles on a back-gate device architecture, which leads to well-defined and well-controllable transistor characteristics. This Coulomb transistor has three main advantages. By using the scalable Langmuir-Blodgett method, we combine high-quality chemically synthesized metal nanoparticles with standard lithography techniques. The resulting transistors show on/off ratios above 90%, reliable and sinusoidal Coulomb oscillations, and room temperature operation. Furthermore, this concept allows for versatile tuning of the device properties such as Coulomb energy gap and threshold voltage, as well as period, position, and strength of the oscillations.

Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals.

PubMed

Duchemin, Ivan; Li, Jing; Blase, Xavier

2017-03-14

The introduction of auxiliary bases to approximate molecular orbital products has paved the way to significant savings in the evaluation of four-center two-electron Coulomb integrals. We present a generalized dual space strategy that sheds a new light on variants over the standard density and Coulomb-fitting schemes, including the possibility of introducing minimization constraints. We improve in particular the charge- or multipole-preserving strategies introduced respectively by Baerends and Van Alsenoy that we compare to a simple scheme where the Coulomb metric is used for lowest angular momentum auxiliary orbitals only. We explore the merits of these approaches on the basis of extensive Hartree-Fock and MP2 calculations over a standard set of medium size molecules.

Magnetically tunable 1D Coulomb drag: Theory

NASA Astrophysics Data System (ADS)

Tylan-Tyler, Anthony; Tang, Yuhe; Levy, Jeremy

In this work, we examine the Coulomb drag effect in 1D nanowires in close proximity, focusing on experimental parameters relevant to complex-oxide nanostructures. Previous work on this problem examined Coulomb drag through quantum point contacts, where effective capacitive coupling between the 2D leads of the system generates the drag voltage. In our case, the entire system is composed of 1D components and thus a more careful treatment of the Coulomb interactions is required. This more complex environment then leads to the ability to switch the drag voltage by an applied magnetic field without altering the current supplied to the drive system. We gratefully acknowledge financial support from ONR N00014-15-1-2847 and DOE DE-SC0014417.

Chaotic dynamics and thermodynamics of periodic systems with long-range forces

NASA Astrophysics Data System (ADS)

Kumar, Pankaj

Gravitational and electromagnetic interactions form the backbone of our theoretical understanding of the universe. While, in general, such interactions are analytically inexpressible for three-dimensional infinite systems, one-dimensional modeling allows one to treat the long-range forces exactly. Not only are one-dimensional systems of profound intrinsic interest, physicists often rely on one-dimensional models as a starting point in the analysis of their more complicated higher-dimensional counterparts. In the analysis of large systems considered in cosmology and plasma physics, periodic boundary conditions are a natural choice and have been utilized in the study of one dimensional Coulombic and gravitational systems. Such studies often employ numerical simulations to validate the theoretical predictions, and in cases where theoretical relations have not been mathematically formulated, numerical simulations serve as a powerful method in characterizing the system's physical properties. In this dissertation, analytic techniques are formulated to express the exact phase-space dynamics of spatially-periodic one-dimensional Coulombic and gravitational systems. Closed-form versions of the Hamiltonian and the electric field are derived for single-component and two-component Coulombic systems, placing the two on the same footing as the gravitational counterpart. Furthermore, it is demonstrated that a three-body variant of the spatially-periodic Coulombic or gravitational system may be reduced isomorphically to a periodic system of a single particle in a two-dimensional rhombic potential. The analytic results are utilized for developing and implementing efficient computational tools to study the dynamical and the thermodynamic properties of the systems without resorting to numerical approximations. Event-driven algorithms are devised to obtain Lyapunov spectra, radial distribution function, pressure, caloric curve, and Poincare surface of section through an N-body molecular-dynamics approach. The simulation results for the three-body systems show that the motion exhibits chaotic, quasiperiodic, and periodic behaviors in segmented regions of the phase space. The results for the large versions of the single-component and two-component Coulombic systems show no clear-cut indication of a phase transition. However, as predicted by the theoretical treatment, the simulated temperature dependencies of energy, pressure as well as Lyapunov exponent for the gravitational system indicate a phase transition and the critical temperature obtained in simulation agrees well with that from the theory.

Experimental Investigations of Direct and Converse Flexoelectric Effect in Bilayer Lipid Membranes.

NASA Astrophysics Data System (ADS)

Todorov, Angelio Todorov

Flexoelectric coefficients (direct and converse), electric properties (capacitance and resistivity) and mechanical properties (thickness and elastic coefficients) have been determined for bilayer lipid membranes (BLMs) prepared from egg yolk lecithin (EYL), glycerol monoleate (GMO), phosphatidyl choline (PC) and phosphatidyl serine (PS) as a function of frequency, pH and surface charge modifiers. Direct flexoelectric effect manifested itself in the development of microvolt range a.c. potential (U_{f}) upon subjecting one side of a BLM to an oscillating hydrostatic pressure, in the 100-1000 Hz range. Operationally, the flexoelectric coefficient (f) is expressed by the ratio between U_{f} and the change of curvature (c) which accompanied the flexing of the membrane. Membrane curvature was determined by means of either the electric method (capacitance microphone effect) or by the newly developed method of stroboscopic interferometry. Real-time stroboscopic interferometry coupled with simultaneous electric measurements, provided a direct method for the determination of f. Two different frequency regimes of f were recognized. At low frequencies (<300 Hz), associated with free mobility of the surfactant, f-values of 24.1 times 10^{-19} and 0.87 times 10^ {-19} Coulombs were obtained for PC and GMO BLMs. At high frequencies (>300 Hz), associated with blocked mobility of the surfactant, f-values of 16.5 times 10^ {-19} and 0.30 times 10^{-19} Coulombs were obtained for PC and GMO BLMs. The theoretically calculated value for the GMO BLM oscillating at high frequency (0.12 times 10^{-19 } Coulombs) agreed well with that determined experimentally (0.3 times 10 ^{-19} Coulombs). For charged bovine brain PS BLM the observed flexocoefficient was f = 4.0 times 10^{ -18} Coulombs. Converse flexoelectric effect manifested itself in voltage-induced BLM curvature. Observations were carried out on uranyl acetate (UA) stabilized PS BLM under a.c. excitation. Frequency dependence of f was revealed by means of real-time stroboscopic interferometry. Satisfactory agreement was observed between the direct and converse f-values, measured. Thus, both manifestations of flexoelectricity in BLMs have now received experimental confirmation. Theories developed in this dissertation (as well as those described previously) have been compared with and contrasted to the experimentally determined direct and converse flexoelectric coefficients.

Should adhesive debonding be simulated for intra-radicular post stress analyses?

PubMed

Caldas, Ricardo A; Bacchi, Atais; Barão, Valentim A R; Versluis, Antheunis

2018-06-23

Elucidate the influence of debonding on stress distribution and maximum stresses for intra-radicular restorations. Five intra-radicular restorations were analyzed by finite element analysis (FEA): MP=metallic cast post core; GP=glass fiber post core; PP=pre-fabricated metallic post core; RE=resin endocrowns; CE=single piece ceramic endocrown. Two cervical preparations were considered: no ferule (f 0 ) and 2mm ferule (f 1 ). The simulation was conducted in three steps: (1) intact bonds at all contacts; (2) bond failure between crown and tooth; (3) bond failure among tooth, post and crown interfaces. Contact friction and separation between interfaces was modeled where bond failure occurred. Mohr-Coulomb stress ratios (σ MC ratio ) and fatigue safety factors (SF) for dentin structure were compared with published strength values, fatigue life, and fracture patterns of teeth with intra-radicular restorations. The σ MC ratio showed no differences among models at first step. The second step increased σ MC ratio at the ferule compared to step 1. At the third step, the σ MC ratio and SF for f 0 models were highly influenced by post material. CE and RE models had the highest values for σ MC ratio and lower SF. MP had the lowest σ MC ratio and higher SF. The f 1 models showed no relevant differences among them at the third step. FEA most closely predicted failure performance of intra-radicular posts when frictional contact was modeled. Results of analyses where all interfaces are assumed to be perfectly bonded should be considered with caution. Copyright © 2018 The Academy of Dental Materials. Published by Elsevier Inc. All rights reserved.

Plastic Faulting in Ice: Shear Localization under Elevated Pressure

NASA Astrophysics Data System (ADS)

Golding, N.; Durham, W. B.

2013-12-01

Ice exhibits, at least, two distinct kinds of shear faults when loaded triaxially under compression. Under moderate levels of confinement, brittle failure follows crack growth, crack coalescence and the development of a fault oriented about 30 degrees from the direction of maximum compression. The mechanism governing this mode of failure, termed frictional or Coulombic faulting, has previously been discussed for ice and rocks in connection with the comb-crack model. Under higher levels of confinement, where frictional sliding is suppressed by confining pressure, failure is characterized by sudden brittle-like loss in load bearing capacity and the development of a narrow shear band, comprised of recrystallized grains, oriented about 45 degrees from the direction of maximum compression, i.e. along the direction of maximum shear. This mode of failure, referred to here as plastic faulting, has previously been discussed for warm ice, T = 233 - 263 K, in connection with adiabatic shear heating and has been discussed for cold ice, T = 77 - 163 K, in connection with phase transformation. Here, new results are presented that examine the mechanical behavior and microstructural properties of plastic faulting in polycrystalline ice loaded at temperatures from T = 175 - 210 K and confining pressures up to P = 200 MPa. The results are reviewed in context of previous work and possible mechanisms to account for shear localization in ice under high pressure, including 1) adiabatic shear heating, 2) grain refinement and 3) phase transformation, are discussed. The present observations highlight the similarities in the behavior of plastic faulting under both warm and cold conditions and suggest adiabatic shear heating as a possible mechanism to account for shear instability and plastic faulting at temperatures ranging from T = 77 - 263 K.

Consequences of the presence of a weak fault on the stress and strain within an active margin

NASA Astrophysics Data System (ADS)

Conin, M.; Henry, P.; Godard, V.; Bourlange, S.

2009-12-01

Accreting margins often display an outer thrust and fold belt and an inner forearc domain overlying the subduction plate. Assuming that this overlying material behaves as Coulomb material, the outer wedge and the inner wedge are classically approximated as a critical state and a stable state Coulomb wedge, respectively. Critical Coulomb wedge theory can account for the transition from wedge to forearc. However, it cannot be used to determine the state of stress in the transition zone, nor the consequences of a discontinuity within the margin. The presence of a discontinuity such as a splay fault having a low effective friction coefficient should affect the stress state within the wedge, at least locally around the splay fault. Moreover, the effective friction coefficient of the seismogenic zone is expected to vary during the seismic cycle, and this may influence the stability of the Coulomb wedges. We use the ADELI finite element code (Chery and Hassani, 2000) to model the quasi-static stress and strain of a decollement and splay fault system, within a two dimensional elasto-plastic wedge with Drucker-Prager rheology. The subduction plane, the basal decollement of the accretionary wedge and the splay fault are modeled with contact elements. The modeled margin comprises an inner and an outer domain with distinct tapers and basal friction coefficients. For a given splay fault geometry, we evaluate the friction coefficient threshold for splay fault activation as a function of the basal friction coefficients, and examine the consequences of motion along the splay fault on stress and strain within the wedge and on the surface slope at equilibrium. Friction coefficients are varied in time to mimic the consequence of the seismic cycle on the static stress state and strain distribution. Results show the possibility of coexistence of localized extensional regime above the splay fault within a regional compressional regime. Such coexistence is consistent with stress orientation estimation made from breakouts in the Nankai accretionary prim (Kinoshita et al, 2009).

Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations.

PubMed

López-Tarifa, P; Liguori, Nicoletta; van den Heuvel, Naudin; Croce, Roberta; Visscher, Lucas

2017-07-19

The light harvesting complex II (LHCII), is a pigment-protein complex responsible for most of the light harvesting in plants. LHCII harvests sunlight and transfers excitation energy to the reaction centre of the photo-system, where the water oxidation process takes place. The energetics of LHCII can be modulated by means of conformational changes allowing a switch from a harvesting to a quenched state. In this state, the excitation energy is no longer transferred but converted into thermal energy to prevent photooxidation. Based on molecular dynamics simulations at the microsecond time scale, we have recently proposed that the switch between different fluorescent states can be probed by correlating shifts in the chromophore-chromophore Coulomb interactions to particular protein movements. However, these findings are based upon calculations in the ideal point dipole approximation (IDA) where the Coulomb couplings are simplified as first order dipole-dipole interactions, also assuming that the chromophore transition dipole moments lay in particular directions of space with constant moduli (FIX-IDA). In this work, we challenge this approximation using the time-dependent density functional theory (TDDFT) combined with the frozen density embedding (FDE) approach. Our aim is to establish up to which limit FIX-IDA can be applied and which chromophore types are better described under this approximation. For that purpose, we use the classical trajectories of solubilised light harvesting complex II (LHCII) we have recently reported [Liguori et al., Sci. Rep., 2015, 5, 15661] and selected three pairs of chromophores containing chlorophyll and carotenoids (Chl and Car): Chla611-Chla612, Chlb606-Chlb607 and Chla612-Lut620. Using the FDE in the Tamm-Dancoff approximation (FDEc-TDA), we show that IDA is accurate enough for predicting Chl-Chl Coulomb couplings. However, the FIX-IDA largely overestimates Chl-Car interactions mainly because the transition dipole for the Cars is not trivially oriented on the polyene chain.

Interference between Coulombic and CT-mediated couplings in molecular aggregates: H- to J-aggregate transformation in perylene-based π-stacks

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

Hestand, Nicholas J.; Spano, Frank C.

2015-12-28

The spectroscopic differences between J and H-aggregates are traditionally attributed to the spatial dependence of the Coulombic coupling, as originally proposed by Kasha. However, in tightly packed molecular aggregates wave functions on neighboring molecules overlap, leading to an additional charge transfer (CT) mediated exciton coupling with a vastly different spatial dependence. The latter is governed by the nodal patterns of the molecular LUMOs and HOMOs from which the electron (t{sub e}) and hole (t{sub h}) transfer integrals derive. The sign of the CT-mediated coupling depends on the sign of the product t{sub e}t{sub h} and is therefore highly sensitive tomore » small (sub-Angstrom) transverse displacements or slips. Given that Coulombic and CT-mediated couplings exist simultaneously in tightly packed molecular systems, the interference between the two must be considered when defining J and H-aggregates. Generally, such π-stacked aggregates do not abide by the traditional classification scheme of Kasha: for example, even when the Coulomb coupling is strong the presence of a similarly strong but destructively interfering CT-mediated coupling results in “null-aggregates” which spectroscopically resemble uncoupled molecules. Based on a Frenkel/CT Holstein Hamiltonian that takes into account both sources of electronic coupling as well as intramolecular vibrations, vibronic spectral signatures are developed for integrated Frenkel/CT systems in both the perturbative and resonance regimes. In the perturbative regime, the sign of the lowest exciton band curvature, which rigorously defines J and H-aggregation, is directly tracked by the ratio of the first two vibronic peak intensities. Even in the resonance regime, the vibronic ratio remains a useful tool to evaluate the J or H nature of the system. The theory developed is applied to the reversible H to J-aggregate transformations recently observed in several perylene bisimide systems.« less

FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

NASA Astrophysics Data System (ADS)

Huang, Jingfang; Jia, Jun; Zhang, Bo

2009-11-01

A Fortran program package is introduced for the rapid evaluation of the screened Coulomb interactions of N particles in three dimensions. The method utilizes an adaptive oct-tree structure, and is based on the new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related packages are also available at http://www.fastmultipole.org/. This paper is a brief review of the program and its performance. Catalogue identifier: AEEQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 12 385 No. of bytes in distributed program, including test data, etc.: 79 222 Distribution format: tar.gz Programming language: Fortran77 and Fortran90 Computer: Any Operating system: Any RAM: Depends on the number of particles, their distribution, and the adaptive tree structure Classification: 4.8, 4.12 Nature of problem: To evaluate the screened Coulomb potential and force field of N charged particles, and to evaluate a convolution type integral where the Green's function is the fundamental solution of the modified Helmholtz equation. Solution method: An adaptive oct-tree is generated, and a new version of fast multipole method is applied in which the "multipole-to-local" translation operator is diagonalized. Restrictions: Only three and six significant digits accuracy options are provided in this version. Unusual features: Most of the codes are written in Fortran77. Functions for memory allocation from Fortran90 and above are used in one subroutine. Additional comments: For supplementary information see http://www.fastmultipole.org/ Running time: The running time varies depending on the number of particles (denoted by N) in the system and their distribution. The running time scales linearly as a function of N for nearly uniform particle distributions. For three digits accuracy, the solver breaks even with direct summation method at about N = 750. References: [1] L. Greengard, J. Huang, A new version of the fast multipole method for screened Coulomb interactions in three dimensions, J. Comput. Phys. 180 (2002) 642-658.

Application of Function-Failure Similarity Method to Rotorcraft Component Design

NASA Technical Reports Server (NTRS)

Roberts, Rory A.; Stone, Robert E.; Tumer, Irem Y.; Clancy, Daniel (Technical Monitor)

2002-01-01

Performance and safety are the top concerns of high-risk aerospace applications at NASA. Eliminating or reducing performance and safety problems can be achieved with a thorough understanding of potential failure modes in the designs that lead to these problems. The majority of techniques use prior knowledge and experience as well as Failure Modes and Effects as methods to determine potential failure modes of aircraft. During the design of aircraft, a general technique is needed to ensure that every potential failure mode is considered, while avoiding spending time on improbable failure modes. In this work, this is accomplished by mapping failure modes to specific components, which are described by their functionality. The failure modes are then linked to the basic functions that are carried within the components of the aircraft. Using this technique, designers can examine the basic functions, and select appropriate analyses to eliminate or design out the potential failure modes. The fundamentals of this method were previously introduced for a simple rotating machine test rig with basic functions that are common to a rotorcraft. In this paper, this technique is applied to the engine and power train of a rotorcraft, using failures and functions obtained from accident reports and engineering drawings.

On Coulomb collisions in the solar wind

NASA Astrophysics Data System (ADS)

Hellinger, P.; Travnicek, P. M.

2009-04-01

Collisional transport in anisotropic plasmas is investigated comparing theoretical predictions of the Fokker-Planck equation for bi-Maxwellian particle distribution functions (Kogan, 1961; Lehner, 1967) and results of the corresponding Langevin equation. References: Kogan, V. I., in Plasma Physics and the Problem of Controlled Thermonuclear Reactions, edited by M. A. Leontovich, Pergamon Press, New York, , vol. 1, 153, 1961. Lehner, G., Zeitschrift fur Physik, 206, 284, 1967.

Deriving Function-failure Similarity Information for Failure-free Rotorcraft Component Design

NASA Technical Reports Server (NTRS)

Roberts, Rory A.; Stone, Robert B.; Tumer, Irem Y.; Clancy, Daniel (Technical Monitor)

2002-01-01

Performance and safety are the top concerns of high-risk aerospace applications at NASA. Eliminating or reducing performance and safety problems can be achieved with a thorough understanding of potential failure modes in the design that lead to these problems. The majority of techniques use prior knowledge and experience as well as Failure Modes and Effects as methods to determine potential failure modes of aircraft. The aircraft design needs to be passed through a general technique to ensure that every potential failure mode is considered, while avoiding spending time on improbable failure modes. In this work, this is accomplished by mapping failure modes to certain components, which are described by their functionality. In turn, the failure modes are then linked to the basic functions that are carried within the components of the aircraft. Using the technique proposed in this paper, designers can examine the basic functions, and select appropriate analyses to eliminate or design out the potential failure modes. This method was previously applied to a simple rotating machine test rig with basic functions that are common to a rotorcraft. In this paper, this technique is applied to the engine and power train of a rotorcraft, using failures and functions obtained from accident reports and engineering drawings.

Core-log integration for rock mechanics using borehole breakouts and rock strength experiments: Recent results from plate subduction margins

NASA Astrophysics Data System (ADS)

Saito, S.; Lin, W.

2014-12-01

Core-log integration has been applied for rock mechanics studies in scientific ocean drilling since 2007 in plate subduction margins such as Nankai Trough, Costa Rica margin, and Japan Trench. State of stress in subduction wedge is essential for controlling dynamics of plate boundary fault. One of the common methods to estimate stress state is analysis of borehole breakouts (drilling induced borehole wall compressive failures) recorded in borehole image logs to determine the maximum horizontal principal stress orientation. Borehole breakouts can also yield possible range of stress magnitude based on a rock compressive strength criterion. In this study, we constrained the stress magnitudes based on two different rock failure criteria, the Mohr-Coulomb (MC) criteria and the modified Wiebols-Cook (mWC) criteria. As the MC criterion is the same as that under unconfined compression state, only one rock parameter, unconfined compressive strength (UCS) is needed to constrain stress magnitudes. The mWC criterion needs the UCS, Poisson's ratio and internal frictional coefficient determined by triaxial compression experiments to take the intermediate principal stress effects on rock strength into consideration. We conducted various strength experiments on samples taken during IODP Expeditions 334/344 (Costa Rica Seismogenesis Project) to evaluate reliable method to estimate stress magnitudes. Our results show that the effects of the intermediate principal stress on the rock compressive failure occurred on a borehole wall is not negligible.

TOUGH2Biot - A simulator for coupled thermal-hydrodynamic-mechanical processes in subsurface flow systems: Application to CO2 geological storage and geothermal development

NASA Astrophysics Data System (ADS)

Lei, Hongwu; Xu, Tianfu; Jin, Guangrong

2015-04-01

Coupled thermal-hydrodynamic-mechanical processes have become increasingly important in studying the issues affecting subsurface flow systems, such as CO2 sequestration in deep saline aquifers and geothermal development. In this study, a mechanical module based on the extended Biot consolidation model was developed and incorporated into the well-established thermal-hydrodynamic simulator TOUGH2, resulting in an integrated numerical THM simulation program TOUGH2Biot. A finite element method was employed to discretize space for rock mechanical calculation and the Mohr-Coulomb failure criterion was used to determine if the rock undergoes shear-slip failure. Mechanics is partly coupled with the thermal-hydrodynamic processes and gives feedback to flow through stress-dependent porosity and permeability. TOUGH2Biot was verified against analytical solutions for the 1D Terzaghi consolidation and cooling-induced subsidence. TOUGH2Biot was applied to evaluate the thermal, hydrodynamic, and mechanical responses of CO2 geological sequestration at the Ordos CCS Demonstration Project, China and geothermal exploitation at the Geysers geothermal field, California. The results demonstrate that TOUGH2Biot is capable of analyzing change in pressure and temperature, displacement, stress, and potential shear-slip failure caused by large scale underground man-made activity in subsurface flow systems. TOUGH2Biot can also be easily extended for complex coupled process problems in fractured media and be conveniently updated to parallel versions on different platforms to take advantage of high-performance computing.

Magmatically triggered slow slip at Kilauea Volcano, Hawaii.

PubMed

Brooks, Benjamin A; Foster, James; Sandwell, David; Wolfe, Cecily J; Okubo, Paul; Poland, Michael; Myer, David

2008-08-29

We demonstrate that a recent dike intrusion probably triggered a slow fault-slip event (SSE) on Kilauea volcano's mobile south flank. Our analysis combined models of Advanced Land Observing Satellite interferometric dike-intrusion displacement maps with continuous Global Positioning System (GPS) displacement vectors to show that deformation nearly identical to four previous SSEs at Kilauea occurred at far-field sites shortly after the intrusion. We model stress changes because of both secular deformation and the intrusion and find that both would increase the Coulomb failure stress on possible SSE slip surfaces by roughly the same amount. These results, in concert with the observation that none of the previous SSEs at Kilauea was directly preceded by intrusions but rather occurred during times of normal background deformation, suggest that both extrinsic (intrusion-triggering) and intrinsic (secular fault creep) fault processes can lead to SSEs.

Reactivated faulting near Cushing, Oklahoma: Increased potential for a triggered earthquake in an area of United States strategic infrastructure

USGS Publications Warehouse

McNamara, Daniel E.; Hayes, Gavin; Benz, Harley M.; Williams, Robert; McMahon, Nicole D; Aster, R.C.; Holland, Austin F.; Sickbert, T; Herrmann, Robert B.; Briggs, Richard; Smoczyk, Gregory M.; Bergman, Eric; Earle, Paul S.

2015-01-01

In October 2014 two moderate-sized earthquakes (Mw 4.0 and 4.3) struck south of Cushing, Oklahoma, below the largest crude oil storage facility in the world. Combined analysis of the spatial distribution of earthquakes and regional moment tensor focal mechanisms indicate reactivation of a subsurface unnamed and unmapped left-lateral strike-slip fault. Coulomb failure stress change calculations using the relocated seismicity and slip distribution determined from regional moment tensors, allow for the possibility that the Wilzetta-Whitetail fault zone south of Cushing, Oklahoma, could produce a large, damaging earthquake comparable to the 2011 Prague event. Resultant very strong shaking levels (MMI VII) in the epicentral region present the possibility of this potential earthquake causing moderate to heavy damage to national strategic infrastructure and local communities.

Condensates of p-wave pairs are exact solutions for rotating two-component Bose gases.

PubMed

Papenbrock, T; Reimann, S M; Kavoulakis, G M

2012-02-17

We derive exact analytical results for the wave functions and energies of harmonically trapped two-component Bose-Einstein condensates with weakly repulsive interactions under rotation. The isospin symmetric wave functions are universal and do not depend on the matrix elements of the two-body interaction. The comparison with the results from numerical diagonalization shows that the ground state and low-lying excitations consist of condensates of p-wave pairs for repulsive contact interactions, Coulomb interactions, and the repulsive interactions between aligned dipoles.

Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory

NASA Astrophysics Data System (ADS)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-04-01

We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

QEDMOD: Fortran program for calculating the model Lamb-shift operator

NASA Astrophysics Data System (ADS)

Shabaev, V. M.; Tupitsyn, I. I.; Yerokhin, V. A.

2018-02-01

We present Fortran package QEDMOD for computing the model QED operator hQED that can be used to account for the Lamb shift in accurate atomic-structure calculations. The package routines calculate the matrix elements of hQED with the user-specified one-electron wave functions. The operator can be used to calculate Lamb shift in many-electron atomic systems with a typical accuracy of few percent, either by evaluating the matrix element of hQED with the many-electron wave function, or by adding hQED to the Dirac-Coulomb-Breit Hamiltonian.

Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory.

PubMed

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-04-13

We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

In-gap corner states in core-shell polygonal quantum rings

PubMed Central

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-01

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states. PMID:28071750

Solutions to the 1d Klein Gordon equation with cut-off Coulomb potentials

NASA Astrophysics Data System (ADS)

Hall, Richard L.

2007-12-01

In a recent paper by Barton [G. Barton, J. Phys. A: Math. Gen. 40 (2007) 1011], the 1-dimensional Klein Gordon equation was solved analytically for the non-singular Coulomb-like potential V(|x|)=-α/(|x|+a). In the present Letter, these results are completely confirmed by a numerical formulation that also allows a solution for an alternative cut-off Coulomb potential V(|x|)=-α/|x|, |x|>a, and otherwise V(|x|)=-α/a.

Failure detection system risk reduction assessment

NASA Technical Reports Server (NTRS)

Aguilar, Robert B. (Inventor); Huang, Zhaofeng (Inventor)

2012-01-01

A process includes determining a probability of a failure mode of a system being analyzed reaching a failure limit as a function of time to failure limit, determining a probability of a mitigation of the failure mode as a function of a time to failure limit, and quantifying a risk reduction based on the probability of the failure mode reaching the failure limit and the probability of the mitigation.

Anisotropic Coulomb Explosion of CO Ligands in Group 6 Metal Hexacarbonyls: Cr(CO)6, Mo(CO)6, W(CO)6.

PubMed

Tanaka, Hiroki; Nakashima, Nobuaki; Yatsuhashi, Tomoyuki

2016-09-08

Multiple ionization and subsequent Coulomb explosion have been studied for many organic molecules and their clusters; however, the metal complexes, particularly the large Coulombic interactions expected between a metal and its ligands, have not yet been explored. In this study, the angular distribution of CO(+), oxygen, and carbon ions ejected from metal hexacarbonyls (M(CO)6, M: Cr, Mo, W) having Oh symmetry by Coulomb explosion in femtosecond laser fields (>1 × 10(14) W cm(-2)) is investigated. The emissions of oxygen ions are well-explained in terms of the geometric alignment along a line inclined 45° relative to the CO-M-CO axis in a M(CO)4 plane. Unlike the explosion behavior of the oxygen ions located on the outer part of the molecule, the explosion behavior of the carbon ions was affected by the laser intensity, kinetic energy, and metal. This finding that the emission trends of carbon sandwiched between oxygen and metal atoms were the opposite of those for oxygen was explained by the obstruction by oxygen, the deformation of structure in bending coordinates, and the strong interaction with charged metal. The anisotropic Coulomb explosion of metal complexes reflecting their structural symmetry and central metal charge is a promising candidate for use in the investigation of large Coulombic interactions at the molecular level.

Thermodynamic Theory of Spherically Trapped Coulomb Clusters

NASA Astrophysics Data System (ADS)

Wrighton, Jeffrey; Dufty, James; Bonitz, Michael; K"{A}Hlert, Hanno

2009-11-01

The radial density profile of a finite number of identical charged particles confined in a harmonic trap is computed over a wide ranges of temperatures (Coulomb coupling) and particle numbers. At low temperatures these systems form a Coulomb crystal with spherical shell structure which has been observed in ultracold trapped ions and in dusty plasmas. The shell structure is readily reproduced in simulations. However, analytical theories which used a mean field approachfootnotetext[1]C. Henning et al., Phys. Rev. E 74, 056403 (2006) or a local density approximationfootnotetext[2]C. Henning et al., Phys. Rev. E 76, 036404 (2007) have, so far, only been able to reproduce the average density profile. Here we present an approach to Coulomb correlations based on the hypernetted chain approximation with additional bridge diagrams. It is demonstrated that this model reproduces the correct shell structure within a few percent and provides the basis for a thermodynamic theory of Coulomb clusters in the strongly coupled fluid state.footnotetext[3]J. Wrighton, J.W. Dufty, H. K"ahlert and M. Bonitz, J. Phys. A 42, 214052 (2009) and Phys. Rev. E (2009) (to be submitted)

Fermi Surface of Sr_{2}RuO_{4}: Spin-Orbit and Anisotropic Coulomb Interaction Effects.

PubMed

Zhang, Guoren; Gorelov, Evgeny; Sarvestani, Esmaeel; Pavarini, Eva

2016-03-11

The topology of the Fermi surface of Sr_{2}RuO_{4} is well described by local-density approximation calculations with spin-orbit interaction, but the relative size of its different sheets is not. By accounting for many-body effects via dynamical mean-field theory, we show that the standard isotropic Coulomb interaction alone worsens or does not correct this discrepancy. In order to reproduce experiments, it is essential to account for the Coulomb anisotropy. The latter is small but has strong effects; it competes with the Coulomb-enhanced spin-orbit coupling and the isotropic Coulomb term in determining the Fermi surface shape. Its effects are likely sizable in other correlated multiorbital systems. In addition, we find that the low-energy self-energy matrix-responsible for the reshaping of the Fermi surface-sizably differs from the static Hartree-Fock limit. Finally, we find a strong spin-orbital entanglement; this supports the view that the conventional description of Cooper pairs via factorized spin and orbital part might not apply to Sr_{2}RuO_{4}.

Coulomb Blockade Plasmonic Switch.

PubMed

Xiang, Dao; Wu, Jian; Gordon, Reuven

2017-04-12

Tunnel resistance can be modulated with bias via the Coulomb blockade effect, which gives a highly nonlinear response current. Here we investigate the optical response of a metal-insulator-nanoparticle-insulator-metal structure and show switching of a plasmonic gap from insulator to conductor via Coulomb blockade. By introducing a sufficiently large charging energy in the tunnelling gap, the Coulomb blockade allows for a conductor (tunneling) to insulator (capacitor) transition. The tunnelling electrons can be delocalized over the nanocapacitor again when a high energy penalty is added with bias. We demonstrate that this has a huge impact on the plasmonic resonance of a 0.51 nm tunneling gap with ∼70% change in normalized optical loss. Because this structure has a tiny capacitance, there is potential to harness the effect for high-speed switching.

Metal nanoparticle film–based room temperature Coulomb transistor

PubMed Central

Willing, Svenja; Lehmann, Hauke; Volkmann, Mirjam; Klinke, Christian

2017-01-01

Single-electron transistors would represent an approach to developing less power–consuming microelectronic devices if room temperature operation and industry-compatible fabrication were possible. We present a concept based on stripes of small, self-assembled, colloidal, metal nanoparticles on a back-gate device architecture, which leads to well-defined and well-controllable transistor characteristics. This Coulomb transistor has three main advantages. By using the scalable Langmuir-Blodgett method, we combine high-quality chemically synthesized metal nanoparticles with standard lithography techniques. The resulting transistors show on/off ratios above 90%, reliable and sinusoidal Coulomb oscillations, and room temperature operation. Furthermore, this concept allows for versatile tuning of the device properties such as Coulomb energy gap and threshold voltage, as well as period, position, and strength of the oscillations. PMID:28740864

Coulomb bound states of strongly interacting photons

DOE PAGES

Maghrebi, M. F.; Gullans, Michael J.; Bienias, P.; ...

2015-09-16

We show that two photons coupled to Rydberg states via electromagnetically induced transparency (EIT) can interact via an effective Coulomb potential. The interaction then gives rise to a continuum of two-body bound states. Within the continuum, metastable bound states are distinguished in analogy with quasi-bound states tunneling through a potential barrier. We find multiple branches of metastable bound states whose energy spectrum is governed by the Coulomb problem, thus obtaining a photonic analogue of the hydrogen atom. These states propagate with a negative group velocity in the medium, which allows for a simple preparation and detection scheme, before they slowlymore » decay to pairs of bound Rydberg atoms. As a result, we verify the metastability and backward propagation of these Coulomb bound states with exact numerical simulations.« less

Three dimensional canonical singularity and five dimensional N = 1 SCFT

NASA Astrophysics Data System (ADS)

Xie, Dan; Yau, Shing-Tung

2017-06-01

We conjecture that every three dimensional canonical singularity defines a five dimensional N = 1 SCFT. Flavor symmetry can be found from singularity structure: non-abelian flavor symmetry is read from the singularity type over one dimensional singular locus. The dimension of Coulomb branch is given by the number of compact crepant divisors from a crepant resolution of singularity. The detailed structure of Coulomb branch is described as follows: a) a chamber of Coulomb branch is described by a crepant resolution, and this chamber is given by its Nef cone and the prepotential is computed from triple intersection numbers; b) Crepant resolution is not unique and different resolutions are related by flops; Nef cones from crepant resolutions form a fan which is claimed to be the full Coulomb branch.

In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach

NASA Astrophysics Data System (ADS)

Shityakov, Sergey; Roewer, Norbert; Förster, Carola; Broscheit, Jens-Albert

2017-07-01

The purpose of this study was to develop and implement an in silico model of indigoid-based single-electron transistor (SET) nanodevices, which consist of indigoid molecules from natural dye weakly coupled to gold electrodes that function in a Coulomb blockade regime. The electronic properties of the indigoid molecules were investigated using the optimized density-functional theory (DFT) with a continuum model. Higher electron transport characteristics were determined for Tyrian purple, consistent with experimentally derived data. Overall, these results can be used to correctly predict and emphasize the electron transport functions of organic SETs, demonstrating their potential for sustainable nanoelectronics comprising the biodegradable and biocompatible materials.