Modeling the elastic energy of alloys: Potential pitfalls of continuum treatments.
Baskaran, Arvind; Ratsch, Christian; Smereka, Peter
2015-12-01
Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density-functional calculations. The Keating model is a simplified atomistic formulation based on modeling elastic interactions of a binary alloy with harmonic springs whose equilibrium length is species dependent. It is demonstrated that the continuum limit for the strain field are the usual equations of linear elasticity for alloys and that they correctly capture the coarse-grained behavior of the displacement field. In addition, it is established that Euler-Lagrange equation of the continuum limit of the elastic energy will yield the same strain field equation. This is the same energy functional that is often used to model elastic effects in binary alloys. However, a direct calculation of the elastic energy atomistic model reveals that the continuum expression for the elastic energy is both qualitatively and quantitatively incorrect. This is because it does not take atomistic scale compositional nonuniformity into account. Importantly, this result also shows that finely mixed alloys tend to have more elastic energy than segregated systems, which is the exact opposite of predictions made by some continuum theories. It is also shown that for strained thin films the traditionally used effective misfit for alloys systematically underestimate the strain energy. In some models, this drawback is handled by including an elastic contribution to the enthalpy of mixing, which is characterized in terms of the continuum concentration. The direct calculation of the atomistic model reveals that this approach suffers serious difficulties. It is demonstrated that elastic contribution to the enthalpy of mixing is nonisotropic and scale dependent. It is also shown that such effects are present in density-functional theory calculations for the Si-Ge system. This work demonstrates that it is critical to include the microscopic arrangements in any elastic
Liu, Guanlin; Leng, Qiang; Lian, Jiawei; Guo, Hengyu; Yi, Xi; Hu, Chenguo
2015-01-21
Great attention has been paid to nanogenerators that harvest energy from ambient environments lately. In order to give considerable output current, most nanogenerators require high-velocity motion that in most cases can hardly be provided in our daily life. Here we report a notepad-like triboelectric generator (NTEG), which uses simple notepad-like structure to generate elastic deformation so as to turn a low-velocity kinetic energy into high-velocity kinetic energy through the conversion of elastic potential energy. Therefore, the NTEG can achieve high current output under low-velocity motion, which completely distinguishes it from tribogenerators previously reported. The factors that may affect the output performance are explored, including the number of slices, active length of slice, press speed, and vertical displacement. In addition, the working mechanism is systematically studied, indicating that the efficiency of the generator can be greatly enhanced by interconversion between kinetic energy and elastic potential energy. The short-circuit current, the open-circuit voltage, and power density are 205 μA and 470 V and 9.86 W/m(2), respectively, which is powerful enough to light up hundreds of light-emitting diodes (LEDs) and charge a commercial capacitor. Besides, NTEGs have been successfully applied to a self-powered door monitor. PMID:25564956
Ho, T.; Rabitz, H.
1989-02-01
Elastic differential cross sections in atomic crossed beam experiments contain detailed information about the underlying interatomic potentials. The functional sensitivity density of the cross sections with respect to the potential deltasigma(theta)/deltaV(R) reveals such information and has been implemented in an iterative inversion procedure, analogous to that of the Newton--Raphson technique. The stability of the inversion is achieved with the use of the regularization method of Tikhonov and Miller. It is shown that given a set of well resolved and noise-free differential cross section data within a limited angular range and given a reasonable starting reference potential, the recovered potential accurately resembles the desired one in the important region, i.e., the region to which the scattering data are sensitive. The region of importance depends upon the collision energy relative to the well depth of the potential under study; usually a higher collision energy penetrates deeper into the repulsive part of the potential and thus accordingly yields a more accurate potential in that part. The inversion procedure produces also a quality function indicating the well determined radial region. Moreover, the extracted potential is quite independent of the functional form of the reference potential in contrast to curve fitting approaches. As illustrations, the model inert gas systems He--Ne and Ne--Ar have been considered. For collision energies within an order of magnitude of the associated potential well depth, the attractive part of the potential can be determined to high precision provided that scattering data at small enough angles are available.
Sukhomlinov, Sergey V; Müser, Martin H
2016-10-01
We demonstrate that the embedded-atom method and related potentials predict many dimensionless properties of simple metals to depend predominantly on a single coefficient μ, which typically lies between 0.3 and 0.45. Among other relations presented in this work, we find that [Formula: see text], [Formula: see text], and [Formula: see text] hold within 25% accuracy and also find a linear dependence of the melting temperature on μ. The used variables are cohesive energy E c, coordination number Z, vacancy energy E v, and bulk modulus B, while G is the average of ordinary and tetragonal shear modulus. We provide analytical arguments for these findings, which are obeyed reasonably well by several metals. PMID:27465401
Elastic lattice in a random potential
Chudnovsky, E.M.; Dickman, R.
1998-02-01
Using Monte Carlo simulations, we study the properties of an elastic triangular lattice subject to a random background potential. As the cooling rate is reduced, we observe a rather sudden crossover between two different glass phases, with exponential decay of translational correlations, the other with power-law decay. Contrary to predictions derived for continuum models, no evidence of a crossover in the mean-square displacement B(r) from the quadratic growth at small r to the logarithmic growth at large r is found. {copyright} {ital 1998} {ital The American Physical Society}
Elastic energy release in great earthquakes and eruptions
NASA Astrophysics Data System (ADS)
Gudmundsson, Agust
2014-05-01
The sizes of earthquakes are measured using well-defined, measurable quantities such as seismic moment and released (transformed) elastic energy. No similar measures exist for the sizes of volcanic eruptions, making it difficult to compare the energies released in earthquakes and eruptions. Here I provide a new measure of the elastic energy (the potential mechanical energy) associated with magma chamber rupture and contraction (shrinkage) during an eruption. For earthquakes and eruptions, elastic energy derives from two sources: (1) the strain energy stored in the volcano/fault zone before rupture, and (2) the external applied load (force, pressure, stress, displacement) on the volcano/fault zone. From thermodynamic considerations it follows that the elastic energy released or transformed (dU) during an eruption is directly proportional to the excess pressure (pe) in the magma chamber at the time of rupture multiplied by the volume decrease (-dVc) of the chamber, so that . This formula can be used as a basis for a new eruption magnitude scale, based on elastic energy released, which can be related to the moment-magnitude scale for earthquakes. For very large eruptions (>100 km3), the volume of the feeder-dike is negligible, so that the decrease in chamber volume during an eruption corresponds roughly to the associated volume of erupted materials , so that the elastic energy is . Using a typical excess pressures of 5 MPa, it is shown that the largest known eruptions on Earth, such as the explosive La Garita Caldera eruption (27-28 million years ago) and largest single (effusive) Colombia River basalt lava flows (15-16 million years ago), both of which have estimated volumes of about 5000 km3, released elastic energy of the order of 10EJ. For comparison, the seismic moment of the largest earthquake ever recorded, the M9.5 1960 Chile earthquake, is estimated at 100 ZJ and the associated elastic energy release at 10EJ.
Elastic form factors at higher CEBAF energies
Petratos, G.G.
1994-04-01
The prospects for elastic scattering from few body systems with higher beam energies at CEBAF is presented. The deuteron and{sup 3}He elastic structure functions A(Q{sup 2}) can be measured at sufficiently high momentum transfers to study the transition between the conventional meson-nucleon and the constituent quark-gluon descriptions. Possible improvements in the proton magnetic form factor data are also presented.
An excitation potential imaging condition for elastic reverse time migration
NASA Astrophysics Data System (ADS)
Gu, Bingluo; Liu, Youshan; Li, Zhiyuan; Ma, Xiaona; Liang, Guanghe
2014-09-01
Elastic reverse time migration (ERTM) has been demonstrated to be more accurate than scalar RTM. However, low efficiency (large storage and heavy calculated amount) and strong artifacts caused by the crosstalk between different wave modes are the two primary barriers to the application of the ERTM during the processing of real data. The scalar (P) and vector (S) potentials of the elastic wavefield and the arrival times corresponding to the first energy extremum of the wavefield are saved at each grid point during the forward modeling of the source wavefield. The angle-dependent reflection coefficient images are subsequently obtained by dividing the scalar and vector potentials of the backward extrapolated receiver wavefield by the saved scalar and vector potentials at the grid points that satisfy the image time at each time step, respectively. The proposed imaging condition does not need to store the snapshots of the source wavefield, while it can considerably improve the computational efficiency and decrease the amount of storage and Input/Output manipulation (compared with the cross-correlation imaging condition) in addition to suppressing the crosstalk between compressive and shear wave modes. Compared with the excitation time imaging condition, the proposed imaging condition reduces the energy loss caused by the opposite polarity of the horizontal component at opposite sides of the source in stacked images. Numerical tests with synthetic data of the Sigsbee2a model have demonstrated that this imaging condition is a cost-effective and practical imaging condition for use in prestack ERTM.
Elastic model for dinucleosome structure and energy
NASA Astrophysics Data System (ADS)
Fatemi, Hashem; Khodabandeh, Fatemeh; Mohammad-Rafiee, Farshid
2016-04-01
The equilibrium structure of a dinucleosome is studied using an elastic model that takes into account the force and torque balance conditions. Using the proper boundary conditions, it is found that the conformational energy of the problem does not depend on the length of the linker DNA. In addition it is shown that the two histone octamers are almost perpendicular to each other, and the linker DNA in short lengths is almost straight. These findings could shed some light on the role of DNA elasticity in the chromatin structure.
Elastic energy of polyhedral bilayer vesicles
Haselwandter, Christoph A.; Phillips, Rob
2011-01-01
In recent experiments the spontaneous formation of hollow bilayer vesicles with polyhedral symmetry has been observed. On the basis of the experimental phenomenology it was suggested that the mechanism for the formation of bilayer polyhedra is minimization of elastic bending energy. Motivated by these experiments, we study the elastic bending energy of polyhedral bilayer vesicles. In agreement with experiments, and provided that excess amphiphiles exhibiting spontaneous curvature are present in sufficient quantity, we find that polyhedral bilayer vesicles can indeed be energetically favorable compared to spherical bilayer vesicles. Consistent with experimental observations we also find that the bending energy associated with the vertices of bilayer polyhedra can be locally reduced through the formation of pores. However, the stabilization of polyhedral bilayer vesicles over spherical bilayer vesicles relies crucially on molecular segregation of excess amphiphiles along the ridges rather than the vertices of bilayer polyhedra. Furthermore, our analysis implies that, contrary to what has been suggested on the basis of experiments, the icosahedron does not minimize elastic bending energy among arbitrary polyhedral shapes and sizes. Instead, we find that, for large polyhedron sizes, the snub dodecahedron and the snub cube both have lower total bending energies than the icosahedron. PMID:21797397
Expression for the granular elastic energy.
Jiang, Yimin; Zheng, Hepeng; Peng, Zheng; Fu, Liping; Song, Shixiong; Sun, Qicheng; Mayer, Michael; Liu, Mario
2012-05-01
Granular solid hydrodynamics (GSH) is a broad-ranged continual mechanical description of granular media capable of accounting for static stress distributions, yield phenomena, propagation and damping of elastic waves, the critical state, shear band, and fast dense flow. An important input of GSH is an expression for the elastic energy needed to deform the grains. The original expression, though useful and simple, has some drawbacks. Therefore a slightly more complicated expression is proposed here that eliminates three of them: (1) The maximal angle at which an inclined layer of grains remains stable is increased from 26^{∘} to the more realistic value of 30^{∘}. (2) Depending on direction and polarization, transverse elastic waves are known to propagate at slightly different velocities. The old expression neglects these differences, the new one successfully reproduces them. (3) Most importantly, the old expression contains only the Drucker-Prager yield surface. The new one contains in addition those named after Coulomb, Lade-Duncan, and Matsuoka-Nakai-realizing each, and interpolating between them, by shifting a single scalar parameter. PMID:23004747
Velocity-dependent optical potential for neutron elastic scattering from 1 p -shell nuclei
NASA Astrophysics Data System (ADS)
Ghabar, I. N.; Jaghoub, M. I.
2015-06-01
Background: The conventional optical model is quite successful in describing the nucleon elastic scattering data from medium and heavy nuclei. However, its success in describing the light 1 p -shell nuclei is somewhat limited. The velocity-dependent optical potential resulted in a significant improvement in describing the elastic angular distributions for light nuclei in the low energy region. Purpose: To extend the formalism of the velocity-dependent potential to higher energies, and to assess its importance in describing neutron elastic scattering data from light 1 p -shell nuclei at high energies. Method: We fit the angular distribution data for neutron elastic scattering from 12C and 16O using (i) the velocity-dependent optical potential and (ii) the conventional optical potential. The results of the two models are then compared. At low energies, we compare our angular distribution fits with the fits of other works that exist in the literature. Furthermore, the total integrated cross sections in addition to the analyzing power are calculated using the velocity-dependent optical potential and compared to the experimental data. Results: The velocity-dependent potential resulted in significant improvements in describing the angular distributions particularly in the large-angle scattering region and for certain energy ranges. This model is important where the experimental data show structural effects from nuclear surface deformations, which are important in light nuclei. Furthermore, the calculated total elastic cross sections and analyzing power are in good agreement with the experimental data. Conclusions: The velocity-dependent potential gives rise to surface-peaked real terms in the optical model. Such terms account, at least partly, for the structural effects seen in the angular distribution data. The energy range over which the surface terms are needed is found to depend on the target nucleus. Other works that have introduced real surface terms in the optical
Elastic epsilon/sup + -/-He scattering with the use of the model-potential method
Khan, P.; Datta, S.K.; Bhattacharyya, D.; Ghosh, A.S.
1984-06-01
A model-potential method has been used to evaluate the elastic e/sup + -/-He scattering at the low-incident energies. The potential contains one parameter to include the effect of short-range correlation. The results for the elastic e/sup + -/-He scattering have been obtained using the same parameter. Two model exchange potentials, one for s wave and the other for higher partial waves, have been employed. The present results are in good agreement with the measured values and refined theoretical predictions.
Hybrid Simulation Modeling to Estimate U.S. Energy Elasticities
NASA Astrophysics Data System (ADS)
Baylin-Stern, Adam C.
This paper demonstrates how an U.S. application of CIMS, a technologically explicit and behaviourally realistic energy-economy simulation model which includes macro-economic feedbacks, can be used to derive estimates of elasticity of substitution (ESUB) and autonomous energy efficiency index (AEEI) parameters. The ability of economies to reduce greenhouse gas emissions depends on the potential for households and industry to decrease overall energy usage, and move from higher to lower emissions fuels. Energy economists commonly refer to ESUB estimates to understand the degree of responsiveness of various sectors of an economy, and use estimates to inform computable general equilibrium models used to study climate policies. Using CIMS, I have generated a set of future, 'pseudo-data' based on a series of simulations in which I vary energy and capital input prices over a wide range. I then used this data set to estimate the parameters for transcendental logarithmic production functions using regression techniques. From the production function parameter estimates, I calculated an array of elasticity of substitution values between input pairs. Additionally, this paper demonstrates how CIMS can be used to calculate price-independent changes in energy-efficiency in the form of the AEEI, by comparing energy consumption between technologically frozen and 'business as usual' simulations. The paper concludes with some ideas for model and methodological improvement, and how these might figure into future work in the estimation of ESUBs from CIMS. Keywords: Elasticity of substitution; hybrid energy-economy model; translog; autonomous energy efficiency index; rebound effect; fuel switching.
Optical model potential for deuteron elastic scattering with 1 p -shell nuclei
NASA Astrophysics Data System (ADS)
Zhang, Y.; Pang, D. Y.; Lou, J. L.
2016-07-01
A set of global optical potential parameters, DA1p, for deuterons with the 1 p -shell nuclei is obtained by simultaneously fitting 67 sets of experimental data of deuteron elastic scattering from 6Li, 9Be, 10B, 11B, 12C, 13C, 14N, 16O, and 18O with incident energies between 5.25 and 170 MeV. DA1p improves the description of the deuteron elastic scattering from the 1 p -shell nuclei with respect to the existing systematic deuteron potentials and can give satisfactory reproduction of the experimental data with radiative nuclei such as 9Li, 10Be, 14C, and 14O.
Potentials for the α- 40,44,48Ca elastic scattering
NASA Astrophysics Data System (ADS)
Abdullah, M. N. A.; Idris, A. B.; Tariq, A. S. B.; Islam, M. S.; Das, S. K.; Uddin, M. A.; Mondal, A. S.; Basak, A. K.; Reichstein, I.; Sen Gupta, H. M.; Malik, F. B.
2005-10-01
The differential cross sections for the elastic scattering of α particles by 40,44,48Ca, over a wide range of incident energies, have been analyzed using a deep as well as shallow non-monotonic optical potential and compared with those using a squared Woods-Saxon (SWS) potential. The shallow non-monotonic potential exhibits a volume integral for the real part, characteristic of a molecular potential. The parameters of the SWS potential have also been obtained for α- 48Ca scattering. The parameters of the shallow non-monotonic potential calculated from the energy-density-formalism provide a satisfactory description of the elastic scattering data. The non-monotonic potentials, both deep and shallow, are found to yield consistently a lower value of the radius parameter of the real potential for 48Ca than that for 40Ca, in conformity with the observed magnitudes of the root-mean-square radii for the two nuclei. Both the potentials indicate that the semi-magic 44Ca behaves differently from the doubly-magic 40,48Ca, in agreement with the findings from the folding potentials. The dispersion effect arising from the causality principle has been investigated for the shallow non-monotonic α- 40Ca potential and is found to play a rather minor role in describing the elastic scattering data.
The role of elastic energy storage and recovery in downhill and uphill running.
Snyder, Kristine L; Kram, Rodger; Gottschall, Jinger S
2012-07-01
In level running, humans and other animals store and recover elastic energy during each step. What role does elastic energy play during downhill and uphill running? We measured the fluctuations of the mechanical energy of the center of mass (CoM) of 15 human participants running at 3 m s(-1) on the level, downhill and uphill on a force-measuring treadmill mounted at 3, 6 and 9 deg. In level running, nearly symmetrical decreases and increases of the combined gravitational potential and kinetic (GPE+KE) energy of the CoM indicated equal possible elastic energy storage and recovery. However, asymmetrical fluctuations during hill running indicate reduced maximum possible elastic energy storage and return. We analyzed mechanical energy generation and dissipation during level and hill running by quantifying the anatomically estimated elastic energy storage (AEEE) in the arch and Achilles' tendon using peak ground reaction forces and anatomical characteristics. AEEE did not change with grade. At shallow downhill grades, the body must generate mechanical energy, though it dissipates more than it generates. At steeper downhill grades, little to no energy generation is required and only mechanical energy dissipation must occur. The downhill grade at which mechanical energy must no longer be generated occurs at approximately -9 deg, near the metabolically optimal running grade. At shallow uphill grades, mechanical energy must be generated to raise the CoM, and at steeper grades, additional energy must be generated to offset reduced elastic energy storage and return. PMID:22675189
Low-energy elastic differential scattering of He/++/ by He.
NASA Technical Reports Server (NTRS)
Lam, S. K.; Doverspike, L. D.; Champion, R. L.
1973-01-01
Experimental results are developed for the relative elastic differential scattering of He(++) by He for collision energies in the range 4 equal to or less than E equal to or less than 75 eV. In the analysis of the data, semiclassical considerations are utilized, assuming that the dynamics of the scattering is governed solely by the B and E states of He2(++). It is shown that existing ab initio calculations for the intermolecular potentials predict differential cross sections which are not in particularly good agreement with the experimental data.
np elastic scattering analyzing power characteristics at intermediate energies
Abegg, R.; Ahmad, M.; Bandyopadhyay, D.; Birchall, J.; Cairns, E.B.; Chantziantoniou, K.; Coombes, G.H.; Davis, C.A.; Davison, N.E.; Delheij, P.P.J.; Green, P.W.; Greeniaus, L.G.; Gubler, H.P.; Healey, D.C.; Lapointe, C.; Lee, W.P.; McDonald, W.J.; Miller, C.A.; Moss, G.A.; Page, S.A.; Plattner, G.R.; Poffenberger, P.R.; Ramsay, W.D.; Rodning, N.L.; Roy, G.; Soukup, J.; Svenne, J.P.; Tkachuk, R.R.; van Oers, W.T.H.; Wait, G.D.; Watson, J.W.; Ye, Y.; Zhang, Y.P. University of Manitoba, Department of Physics, Winnipeg, Manitoba, Canada R3T 2N2 University of Alberta, Department of Physics, Edmonton, Alberta, Canada T6G 2N5 University of Basel, Institute of Physics, CH-4000 Basel, Switzerland Kent State University, Department of Physics, Kent, Ohio 44242)
1989-11-01
Recent measurements of charge symmetry breaking in the {ital np} system at 477 MeV, and of {ital A}{sub 00{ital nn}} for {ital np} elastic scattering at 220, 325, and 425 MeV also yield accurate analyzing power data. These data allow the energy dependence of the analyzing power zero-crossing angle and the slope of the analyzing power at the zero-crossing angle to be determined. The incident neutron energies span a region where the zero-crossing angle is strongly energy dependent ({ital E}{sub {ital n}}{lt}250 MeV) to where it is almost independent of energy ({ital E}{sub {ital n}}{gt}350 MeV). The results are compared to current phase-shift analysis predictions, recently published data, and the predictions of the Bonn and Paris potentials.
Energy in elastic fiber embedded in elastic matrix containing incident SH wave
NASA Technical Reports Server (NTRS)
Williams, James H., Jr.; Nagem, Raymond J.
1989-01-01
A single elastic fiber embedded in an infinite elastic matrix is considered. An incident plane SH wave is assumed in the infinite matrix, and an expression is derived for the total energy in the fiber due to the incident SH wave. A nondimensional form of the fiber energy is plotted as a function of the nondimensional wavenumber of the SH wave. It is shown that the fiber energy attains maximum values at specific values of the wavenumber of the incident wave. The results obtained here are interpreted in the context of phenomena observed in acousto-ultrasonic experiments on fiber reinforced composite materials.
Double folding cluster potential for {sup 12}C+{sup 12}C elastic scattering
Hassanain, M. A.; Ibraheem, Awad A.; Farid, M. El-Azab
2008-03-15
Using the alpha ({alpha})-cluster structure of {sup 12}C nucleus, two versions of the {sup 12}C+{sup 12}C real double folded optical potentials have been generated based upon effective {alpha}-{alpha},{alpha}-nucleon (N) and N-N interactions. The obtained potentials, in conjunction with shallow phenomenological Woods-Saxon imaginary parts, successfully reproduce the elastic scattering differential cross section for 12 sets of data over the broad energy range 70-360 MeV. No renormalization of the real folded potentials is required to fit the data. The energy dependence of the extracted real and imaginary volume integrals and total reaction cross section is investigated.
Virtual coupling potential for elastic scattering of 10,11Be on proton and carbon targets
NASA Astrophysics Data System (ADS)
Lapoux, V.; Alamanos, N.; Auger, F.; Blumenfeld, Y.; Casandjian, J.-M.; Chartier, M.; Cortina-Gil, M. D.; Fékou-Youmbi, V.; Gillibert, A.; Cormick, M. Mac; Maréchal, F.; Marie, F.; Mittig, W.; de Oliveira Santos, F.; Orr, N. A.; Ostrowski, A. N.; Ottini-Hustache, S.; Roussel-Chomaz, P.; Scarpaci, J.-A.; Sida, J.-L.; Suomijärvi, T.; Winfield, J. S.
2008-01-01
The 10,11Be(p, p) and (12C, 12C) reactions were analyzed to determine the influence of the weak binding energies of exotic nuclei on their interaction potential. The elastic cross sections were measured at GANIL in inverse kinematics using radioactive 10,11Be beams produced at energies of 39.1A and 38.4 A MeV. The elastic proton scattering data were analyzed within the framework of the microscopic Jeukenne-Lejeune-Mahaux (JLM) nucleon-nucleus potential. The angular distributions are found to be best reproduced by reducing the real part of the microscopic optical potential, as a consequence of the coupling to the continuum. These effects modify deeply the elastic potential. Including the Virtual Coupling Potential (VCP), we show the ability of the general optical potentials to reproduce the data for scattering of unstable nuclei, using realistic densities. Finally, the concepts needed to develop a more general and microscopic approach of the VCP are discussed.
Low energy electron elastic reflection from solid surfaces
NASA Astrophysics Data System (ADS)
Starý, Vladimír.; Zemek, Josef
2004-09-01
Using our Monte-Carlo (MC) code, we calculated the ratio of the coefficients of elastic reflection of electrons from Si, SiO 2 and Au to those of Cu and Al in the electron energy range 0.2-1.0 and 1.5 keV (Au-Cu), respectively. The electron scattering was simulated by a single scattering model. For the MC calculations, we compared the elastic differential cross-sections calculated using a static field approximation with relativistic partial wave analysis on either the Thomas-Fermi-Dirac potential of free atoms (TFD model) or the Hartree-Fock-Wigner-Seitz (muffin-tin) potential of atoms in the solid state (HFWS model). The MC data were compared with the experimental values. For both models, reasonably good agreement for Si-Cu and SiO 2-Cu systems was found. In the Au-Cu system, better agreement was achieved using the TFD model. The addition of C in a surface interaction layer of 2-5 nm improves the agreement between simulated and experimental values for the Si-Al and Si-SiO 2 systems.
Low energy elastic electron scattering from CF3Br molecules.
Hargreaves, L R; Brunton, J R; Maddern, T M; Brunger, M J
2015-03-28
CF3Br is a potentially valuable precursor molecule for generating beams of gas phase Br radicals suitable for electron collisions studies. However, the utility of CF3Br for this purpose depends critically on the availability of sound scattering cross sections to allow the contribution of the precursor to be isolated within the total scattering signal. To this end, here we present elastic differential cross section (DCS) measurements for CF3Br at incident energies between 15 and 50 eV. Comparison of these DCSs to those from the only other available experimental study [Sunohara et al., J. Phys. B: At., Mol. Opt. Phys. 36, 1843 (2003)] and a Schwinger multichannel with pseudo potentials (SMCPPs) calculation [Bettega et al., J. Phys. B: At., Mol. Opt. Phys. 36, 1263 (2003)] shows generally a very good accord. Integral elastic and momentum transfer cross sections, derived from our DCSs, are also found to be in quite good agreement with the SMCPP results. PMID:25833582
Measuring liquid crystal elastic constants with free energy perturbations.
Joshi, Abhijeet A; Whitmer, Jonathan K; Guzmán, Orlando; Abbott, Nicholas L; de Pablo, Juan J
2014-02-14
A first principles method is proposed to calculate the Frank elastic constants of nematic liquid crystals. These include the constants corresponding to standard splay, twist and bend deformations, and an often-ignored surface-like contribution known as saddle-splay. The proposed approach is implemented on the widely studied Gay-Berne (3, 5, 2, 1) model [J. G. Gay and B. J. Berne, J. Chem. Phys., 1981, 74, 3316], and the effects of temperature and system size on the elastic constants are examined in the nematic phase. The results of simulations for splay, twist, and bend elastic constants are consistent with those from previous literature reports. The method is subsequently applied to the saddle-splay elastic constant k24 which is found to exist at the limits of the Ericksen inequalities governing positive definite free energy. Finally, extensions of the method are discussed that present a new paradigm for in silico measurements of elastic constants. PMID:24837037
Elastic Hadron Scattering on Li Isotopes at Intermediate Energies
Zhusupov, M.A.; Imambekov, O.; Ibraeva, E.T.
2005-01-01
The elastic scattering of hadrons (protons, charged pions, and positively charged kaons) on {sup 6,7,8}Li nuclei is analyzed on the basis of Glauber-Sitenko diffraction theory. A few nuclear-wave-function versions found within two- and three-particle potential cluster models are used in the calculations. It is shown that the application of these wave functions in diffraction theory makes it possible to describe adequately the experimental differential cross sections and analyzing powers in hadron scattering at intermediate energies. In this study, particular attention is given to a comparison of the scattering of different particles on the same target nucleus, as well as to a comparison of scattering of particles of the same sort on different target nuclei.
Optimization of directional elastic energy propagation
NASA Astrophysics Data System (ADS)
Andreassen, Erik; Chang, Hannah R.; Ruzzene, Massimo; Jensen, Jakob Søndergaard
2016-09-01
The aim of this paper is to demonstrate how topology optimization can be used to design a periodically perforated plate, in order to obtain a tailored anisotropic group velocity profile. The main method is demonstrated on both low and high frequency bending wave propagation in an aluminum plate, but is general in the sense that it could be used to design periodic structures with frequency dependent group velocity profiles for any kind of elastic wave propagation. With the proposed method the resulting design is manufacturable. Measurements on an optimized design compare excellently with the numerical results.
Interference effect in elastic parton energy loss in a finitemedium
Wang, Xin-Nian
2005-04-18
Similar to the radiative parton energy loss due to gluonbremsstrahlung, elastic energy loss of a parton undergoing multiplescattering in a finite medium is demonstrated to be sensitive tointerference effect. The interference between amplitudes of elasticscattering via a gluon exchange and that of gluon radiation reduces theeffective elastic energy loss in a finite medium and gives rise to anon-trivial length dependence. The reduction is most significant for apropagation length L<4/\\pi T in a medium with a temperature T. Thoughthe finite size effect is not significant for the average partonpropagation in the most central heavy-ion collisions, it will affect thecentrality dependence of its effect on jet quenching.
Calculations of {sup 8}He+p elastic cross sections using a microscopic optical potential
Lukyanov, V. K.; Zemlyanaya, E. V.; Lukyanov, K. V.; Kadrev, D. N.; Antonov, A. N.; Gaidarov, M. K.; Massen, S. E.
2009-08-15
An approach to calculate microscopic optical potential with the real part obtained by a folding procedure and with the imaginary part inherent in the high-energy approximation is applied to study the {sup 8}He+p elastic-scattering data at energies of tens of MeV/nucleon. The neutron and proton density distributions obtained in different models for {sup 8}He are used in the calculations of the differential cross sections. The role of the spin-orbit potential is studied. Comparison of the calculations with the available experimental data on the elastic-scattering differential cross sections at beam energies of 15.7, 26.25, 32, 66, and 73 MeV/nucleon is performed. The problem of the ambiguities of the depths of each component of the optical potential is considered by means of the imposed physical criterion related to the known behavior of the volume integrals as functions of the incident energy. It is shown also that the role of the surface absorption is rather important, in particular for the lowest incident energies (e.g., 15.7 and 26.25 MeV/nucleon)
High energy parton-parton elastic scattering in QCD
Tang, W.K.
1993-08-01
We show that the high energy limit of quark-quark, or gluon-gluon, elastic scattering is calculable in terms of the BFKL pomeron when {minus}t {much_gt} {Lambda}{sub QCD}{sup 2}. Surprisingly, this on-shell amplitudes does not have infrared divergences in the high energy limit.
Quasi-elastic nuclear scattering at high energies
NASA Technical Reports Server (NTRS)
Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.
1992-01-01
The quasi-elastic scattering of two nuclei is considered in the high-energy optical model. Energy loss and momentum transfer spectra for projectile ions are evaluated in terms of an inelastic multiple-scattering series corresponding to multiple knockout of target nucleons. The leading-order correction to the coherent projectile approximation is evaluated. Calculations are compared with experiments.
Allred, Clark L.; Yuan Xianglong; Hobbs, Linn W.; Bazant, Martin Z.
2004-10-01
The elastic constants of a wide range of models of defected crystalline and amorphous silicon are calculated, using the environment-dependent interatomic potential (EDIP). The defected crystalline simulation cells contain randomly generated defect distributions. An extensive characterization of point defects is performed, including structure, energy and influence on elastic constants. Three important conclusions are drawn. (1) Defects have independent effects on the elastic constants of silicon up to (at least) a defect concentration of 0.3%. (2) The linear effect of Frenkel pairs on the <110> Young's modulus of silicon is -1653 GPa per defect fraction. (3) 17 different point defect types cause a very similar decrease in the <110> Young's modulus: -(0.28{+-}0.05)% when calculated in isolation using a 1728-atom cell. These principles will be very useful for predicting the effect of radiation damage on the elastic modulus of silicon in the typical case in which point-defect concentrations can be estimated, but the exact distribution and species of defects is unknown. We also study amorphous samples generated in quenching the liquid with EDIP, including an ideal structure of perfect fourfold coordination, samples with threefold and fivefold coordinated defects, one with a nanovoid, and one with an amorphous inclusion in a crystalline matrix. In the last case, a useful finding is that the change in the Young's modulus is simply related to the volume fraction of amorphous material, as has also been observed by experiment.
Intermediate energy proton-deuteron elastic scattering
NASA Technical Reports Server (NTRS)
Wilson, J. W.
1973-01-01
A fully symmetrized multiple scattering series is considered for the description of proton-deuteron elastic scattering. An off-shell continuation of the experimentally known twobody amplitudes that retains the exchange symmeteries required for the calculation is presented. The one boson exchange terms of the two body amplitudes are evaluated exactly in this off-shell prescription. The first two terms of the multiple scattering series are calculated explicitly whereas multiple scattering effects are obtained as minimum variance estimates from the 146-MeV data of Postma and Wilson. The multiple scattering corrections indeed consist of low order partial waves as suggested by Sloan based on model studies with separable interactions. The Hamada-Johnston wave function is shown consistent with the data for internucleon distances greater than about 0.84 fm.
A Microscopic Optical Potential Approach to {sup 6,8}He+p Elastic Scattering
Lukyanov, V. K.; Zemlyanaya, E. V.; Lukyanov, K. V.; Kadrev, D. N.; Antonov, A. N.; Gaidarov, M. K.; Massen, S. E.
2009-08-26
A microscopic approach to calculate the optical potential (OP) with the real part obtained by a folding procedure and with the imaginary part inherent in the high-energy approximation (HEA) is applied to study the {sup 6,8}He+p elastic scattering data at energies of tens of MeV/N. The OP's and the cross sections are calculated using different models for the neutron and proton densities of {sup 6,8}He. The role of the spin-orbit (SO) potential and effects of the energy and density dependence of the effective NN forces are studied. Comparison of the calculations with the available experimental data on the elastic scattering differential cross sections at beam energies <100 MeV/N is performed and conclusions on the role of the aforesaid effects are made. It is shown that the present approach, which uses only parameters that renormalize the depths of the OP, can be applied along with other methods like that from the microscopic g-matrix description of the complex proton optical potential.
Becker, Nils B.; Wolff, Lars; Everaers, Ralf
2006-01-01
Essential biological processes require that proteins bind to a set of specific DNA sites with tuned relative affinities. We focus on the indirect readout mechanism and discuss its theoretical description in relation to the present understanding of DNA elasticity on the rigid base pair level. Combining existing parametrizations of elastic potentials for DNA, we derive elastic free energies directly related to competitive binding experiments, and propose a computationally inexpensive local marker for elastically optimized subsequences in protein–DNA co-crystals. We test our approach in an application to the bacteriophage 434 repressor. In agreement with known results we find that indirect readout dominates at the central, non-contacted bases of the binding site. Elastic optimization involves all deformation modes and is mainly due to the adapted equilibrium structure of the operator, while sequence-dependent elasticity plays a minor role. These qualitative observations are robust with respect to current parametrization uncertainties. Predictions for relative affinities mediated by indirect readout depend sensitively on the chosen parametrization. Their quantitative comparison with experimental data allows for a critical evaluation of DNA elastic potentials and of the correspondence between crystal and solution structures. The software written for the presented analysis is included as Supplementary Data. PMID:17038333
NASA Astrophysics Data System (ADS)
Jablonski, A.; Salvat, F.; Powell, C. J.
2004-06-01
We have analyzed differential cross sections (DCSs) for the elastic scattering of electrons by neutral atoms that have been derived from two commonly used atomic potentials: the Thomas-Fermi-Dirac (TFD) potential and the Dirac-Hartree-Fock (DHF) potential. DCSs from the latter potential are believed to be more accurate. We compared DCSs for six atoms (H, Al, Ni, Ag, Au, and Cm) at four energies (100, 500, 1000, and 10 000 eV) from two databases issued by the National Institute of Standards and Technology in which DCSs had been obtained from the TFD and DHF potentials. While the DCSs from the two potentials had similar shapes and magnitudes, there can be pronounced deviations (up to 70%) for small scattering angles for Al, Ag, Au, and Cm. In addition, there were differences of up to 400% at scattering angles for which there were deep minima in the DCSs; at other angles, the differences were typically less than 20%. The DCS differences decreased with increasing electron energy. DCSs calculated from the two potentials were compared with measured DCSs for six atoms (He, Ne, Ar, Kr, Xe, and Hg) at energies between 50 eV and 3 keV. For Ar, the atom for which experimental data are available over the largest energy range there is good agreement between the measured DCSs and those calculated from the TFD and DHF potentials at 2 and 3 keV, but the experimental DCSs agree better with the DCSs from the DHF potential at lower energies. A similar trend is found for the other atoms. At energies less than about 1 keV, there are increasing differences between the measured DCSs and the DCSs calculated from the DHF potential. These differences were attributed to the neglect of absorption and polarizability effects in the calculations. We compare transport cross sections for H, Al, Ni, Ag, Au, and Cm obtained from the DCSs for each potential. For energies between 200 eV and 1 keV, the largest differences are about 20% (for H, Au, and Cm); at higher energies, the differences are
Elastic scattering of electrons from CO2 in the intermediate energy range
NASA Astrophysics Data System (ADS)
Iga, I.; Nogueira, J. C.; Mu-Tao, L.
1984-03-01
Ratios of elastic differential cross sections of CO2 to those of N2 have been measured at electron impact energies of 500, 800 and 1000 eV in the angular range of 5 deg to 120 deg, using a crossed electron-beam-molecular-beam geometry and the relative flow technique. These ratios have been multiplied by previously known N2 elastic differential cross sections to obtain elastic differential cross sections for CO2. At 500 eV, experimental results agree quite well with the absolute values of Bromberg (1974). Comparison has also been made with the theoretical results obtained in the renormalized multicenter potential model approach of Botelho et al. (1983) and shows an agreement within 20 percent in the entire angular range. The elastic integral and momentum transfer cross sections have also been determined from the differential cross sections.
High precision elastic α scattering on the even-odd 115In nucleus at low energies
NASA Astrophysics Data System (ADS)
Kiss, G. G.; Szücs, T.; Mohr, P.; Fülöp, Zs; Gyürky, Gy; Halász, Z.; Soha, R. F.; Somorjai, E.; Ornelas, A.; Galaviz, D.; Yalçın, C.; Güray, R. T.; Özkan, N.
2016-01-01
Elastic alpha scattering cross sections on the even-odd 115In nucleus have been measured at energies Elab. = 16.15 MeV and 19.50 MeV. The high precision experimental data are used to derive the parameters of a local a nucleus optical potential.
Energy distribution in disordered elastic networks
NASA Astrophysics Data System (ADS)
Plaza, Gustavo R.
2010-09-01
Disordered networks are found in many natural and artificial materials, from gels or cytoskeletal structures to metallic foams or bones. Here, the energy distribution in this type of networks is modeled, taking into account the orientation of the struts. A correlation between the orientation and the energy per unit volume is found and described as a function of the connectivity in the network and the relative bending stiffness of the struts. If one or both parameters have relatively large values, the struts aligned in the loading direction present the highest values of energy. On the contrary, if these have relatively small values, the highest values of energy can be reached in the struts oriented transversally. This result allows explaining in a simple way remodeling processes in biological materials, for example, the remodeling of trabecular bone and the reorganization in the cytoskeleton. Additionally, the correlation between the orientation, the affinity, and the bending-stretching ratio in the network is discussed.
Measurements of radiated elastic wave energy from dynamic tensile cracks
NASA Technical Reports Server (NTRS)
Boler, Frances M.
1990-01-01
The role of fracture-velocity, microstructure, and fracture-energy barriers in elastic wave radiation during a dynamic fracture was investigated in experiments in which dynamic tensile cracks of two fracture cofigurations of double cantilever beam geometry were propagating in glass samples. The first, referred to as primary fracture, consisted of fractures of intact glass specimens; the second configuration, referred to as secondary fracture, consisted of a refracture of primary fracture specimens which were rebonded with an intermittent pattern of adhesive to produce variations in fracture surface energy along the crack path. For primary fracture cases, measurable elastic waves were generated in 31 percent of the 16 fracture events observed; the condition for radiation of measurable waves appears to be a local abrupt change in the fracture path direction, such as occurs when the fracture intersects a surface flaw. For secondary fractures, 100 percent of events showed measurable elastic waves; in these fractures, the ratio of radiated elastic wave energy in the measured component to fracture surface energy was 10 times greater than for primary fracture.
Singular path-independent energy integrals for elastic bodies with thin elastic inclusions
NASA Astrophysics Data System (ADS)
Shcherbakov, V. V.
2016-06-01
An equilibrium problem for a two-dimensional homogeneous linear elastic body containing a thin elastic inclusion and an interfacial crack is considered. The thin inclusion is modeled within the framework of Euler-Bernoulli beam theory. An explicit formula for the first derivative of the energy functional with respect to the crack perturbation along the interface is presented. It is shown that the formulas for the derivative associated with translation and self-similar expansion of the crack are represented as path-independent integrals along smooth contour surrounding one or both crack tips. These path-independent integrals consist of regular and singular terms and are analogs of the well-known Eshelby-Cherepanov-Rice J-integral and Knowles-Sternberg M-integral.
Elastic and total cross sections for simple biomolecules in the intermediate energy range
NASA Astrophysics Data System (ADS)
Gupta, Dhanoj; Naghma, Rahla; Antony, Bobby
2015-09-01
The elastic and total cross sections for formaldehyde, acetaldehyde, acetone, 2-butanone and formamide are calculated using the spherical complex optical potential formalism in the intermediate energy range from 50 eV to 10 keV. These cross sections find application to various fields like radiation damage and biological sciences. The present results are compared with the available experimental and theoretical data and are found to give excellent agreement. The elastic cross sections reported for most of the targets in the present energy range are done for the first time. The energy dependence of the contribution of ionization and elastic cross section with respect to the total cross section and the correlation of total cross section with polarizability of the molecules are also studied.
Elastic and total cross sections for simple biomolecules in the intermediate energy range
Gupta, Dhanoj; Naghma, Rahla; Antony, Bobby
2015-09-15
The elastic and total cross sections for formaldehyde, acetaldehyde, acetone, 2-butanone and formamide are calculated using the spherical complex optical potential formalism in the intermediate energy range from 50 eV to 10 keV. These cross sections find application to various fields like radiation damage and biological sciences. The present results are compared with the available experimental and theoretical data and are found to give excellent agreement. The elastic cross sections reported for most of the targets in the present energy range are done for the first time. The energy dependence of the contribution of ionization and elastic cross section with respect to the total cross section and the correlation of total cross section with polarizability of the molecules are also studied.
Gravitational potential as a source of earthquake energy
Barrows, L.; Langer, C.J.
1981-01-01
Some degree of tectonic stress within the earth originates from gravity acting upon density structures. The work performed by this "gravitational tectonics stress" must have formerly existed as gravitational potential energy contained in the stress-causing density structure. According to the elastic rebound theory (Reid, 1910), the energy of earthquakes comes from an elastic strain field built up by fairly continuous elastic deformation in the period between events. For earthquakes resulting from gravitational tectonic stress, the elastic rebound theory requires the transfer of energy from the gravitational potential of the density structures into an elastic strain field prior to the event. An alternate theory involves partial gravitational collapse of the stress-causing density structures. The earthquake energy comes directly from a net decrease in gravitational potential energy. The gravitational potential energy released at the time of the earthquake is split between the energy released by the earthquake, including work done in the fault zone and an increase in stored elastic strain energy. The stress associated with this elastic strain field should oppose further fault slip. ?? 1981.
Elastic positron-cadmium scattering at low energies
Bromley, M. W. J.; Mitroy, J.
2010-05-15
The elastic and annihilation cross sections for positron-cadmium scattering are reported up to the positronium-formation threshold (at 2.2 eV). The low-energy phase shifts for the elastic scattering of positrons from cadmium were derived from the bound and pseudostate energies of a very large basis configuration-interaction calculation of the e{sup +}-Cd system. The s-wave binding energy is estimated to be 126{+-}42 meV, with a scattering length of A{sub scat}=(14.2{+-}2.1)a{sub 0}, while the threshold annihilation parameter, Z{sub eff}, was 93.9{+-}26.5. The p-wave phase shift exhibits a weak shape resonance that results in a peak Z{sub eff} of 91{+-}17 at a collision energy of about 490{+-}50 meV.
Elastic energy of proteins and the stages of protein folding
NASA Astrophysics Data System (ADS)
Lei, J.; Huang, K.
2009-12-01
We propose a universal elastic energy for proteins, which depends only on the radius of gyration Rg and the residue number N. It is constructed using physical arguments based on the hydrophobic effect and hydrogen bonding. Adjustable parameters are fitted to data from the computer simulation of the folding of a set of proteins using the CSAW (conditioned self-avoiding walk) model. The elastic energy gives rise to scaling relations of the form Rg~Nν in different regions. It shows three folding stages characterized by the progression with exponents ν=3/5, 3/7, 2/5, which we identify as the unfolded stage, pre-globule, and molten globule, respectively. The pre-globule goes over to the molten globule via a break in behavior akin to a first-order phase transition, which is initiated by a sudden acceleration of hydrogen bonding.
Low-Energy Elastic Electron Scattering by Atomic Oxygen
NASA Technical Reports Server (NTRS)
Zatsarinny O.; Bartschat, K.; Tayal, S. S.
2006-01-01
The B-spline R-matrix method is employed to investigate the low-energy elastic electron scattering by atomic oxygen. Flexible non-orthogonal sets of radial functions are used to construct the target description and to represent the scattering functions. A detailed investigation regarding the dependence of the predicted partial and total cross sections on the scattering model and the accuracy of the target description is presented. The predicted angle-integrated elastic cross sections are in good agreement with experiment, whereas significant discrepancies are found in the angle-differential elastic cross sections near the forward direction. .The near-threshold results are found to strongly depend on the treatment of inner-core short-range correlation effects in the target description, as well as on a proper account of the target polarizability. A sharp increase in the elastic cross sections below 1 eV found in some earlier calculations is judged to be an artifact of an unbalanced description of correlation in the N-electron target structure and the (N+l)-electron-collision problems.
Low-Energy Electron Elastic Cross Sections for Lanthanide Atoms
NASA Astrophysics Data System (ADS)
Felfli, Z.; Msezane, A. Z.; Sokolovski, D.
2009-05-01
Dramatically sharp resonances characterize the near-threshold electron elastic scattering total cross sections for the lanthanide atoms, whose energy positions are identified with the binding energies (BEs) of the negative ions formed during the collisions as Regge resonances. The recently developed Regge-pole methodology which naturally embodies the crucial electron correlation effects together with a Thomas-Fermi type potential incorporating the vital core-polarization interaction are used for the calculations[1]. The extracted BEs of the lanthanide negative ions vary from 0.016 eV for Tm^- to 0.631 eV for Pr^-. All the negative ions of the lanthanides can be classified as weakly bound (BEs < 1.0 eV), while only three are tenuously bound (BEs < 0.1 eV) [2]. Ramsauer-Townsend minima, shape resonances and the Wigner threshold behavior for these lanthanides are also determined. Extracted EAs for La and the open d- and f- sub-shell Ce atoms agree excellently with the measured data [3, 4] while for Nd and Eu the agreement with calculated values [5] is outstanding. [1] D. Sokolovski et al, Phys. Rev. A76, 012705 (2007) [2] Z. Felfli et al, Phys. Rev. A 79, At Press (2009) [3] A. M. Covington et al, J. Phys. B 31, L855 (1998) [4] C.W. Walter et al, Phys. Rev. A 76, 052702 (2007) [5] S.M. O'Malley and D.R. Beck, Phys. Rev. A78, 012510 (2008) Supported by U.S. DOE, Division of Chemical Sciences.
Energy distribution of elastically scattered electrons from double layer samples
NASA Astrophysics Data System (ADS)
Tőkési, K.; Varga, D.
2016-02-01
We present a theoretical description of the spectra of electrons elastically scattered from thin double layered Au-C samples. The analysis is based on the Monte Carlo simulation of the recoil and Doppler effects in reflection and transmission geometries of the scattering at a fixed angle of 44.3 ° and a primary energy of 40 keV. The relativistic correction is taken into account. Besides the experimentally measurable energy distributions the simulations give many partial distributions separately, depending on the number of elastic scatterings (single, and multiple scatterings of different types). Furthermore, we present detailed analytical calculations for the main parameters of the single scattering, taking into account both the ideal scattering geometry, i.e. infinitesimally small angular range, and the effect of the real, finite angular range used in the measurements. We show our results for intensity ratios, peak shifts and broadenings for four cases of measurement geometries and layer thicknesses. While in the peak intensity ratios of gold and carbon for transmission geometries were found to be in good agreement with the results of the single scattering model, especially large deviations were obtained in reflection geometries. The separation of the peaks, depending on the geometry and the thickness, generally smaller, and the peak width generally larger than it can be expected from the nominal values of the primary energy, scattering angle, and mean kinetic energy of the atoms. We also show that the peaks are asymmetric even for the case of the single scattering due to the finite solid angle. Finally, we present a qualitative comparison with the experimental data. We find our resulting energy distribution of elastically scattered electrons to be in good agreement with recent measurements.
Ahmad, I.; Alvi, M.A.
1983-12-01
We propose a semiphenomenological method of analysis for intermediate energy ..cap alpha..-nucleus elastic scattering experiments and demonstrate its usefulness by analyzing available elastic ..cap alpha..-nucleus scattering data at 1.37 GeV.
Breakup and Elastic Scattering in the {sup 9}Be + {sup 144}Sm system at near barrier energies
Paes, B.; Garcia, V. N.; Lubian, J.; Gomes, P. R. S.; Padron, I.
2010-05-21
Breakup and elastic scattering in the Be + {sup 144}Sm system, at near barrier energies, are investigated. We calculate theoretically the non-capture breakup cross section by performing coupled reaction channel calculations. The energy dependence of the optical potential does not show the usual threshold anomaly found in tightly bound systems.
Nonperturbative QCD and elastic processes at CEBAF energies
Radyushkin, A.V. |
1994-04-01
The author outlines how one can approach nonperturbative aspects of the QCD dynamics studying elastic processes at energies accessible at upgraded CEBAF. The author`s point is that, in the absence of a complete theory of the nonperturbative effects, a possible way out is based on a systematic use of the QCD factorization procedure which separates theoretically understood ({open_quotes}known{close_quotes}) short-distance effects and nonperturbative ({open_quotes}unknown{close_quotes}) long-distance ones. The latter include hadronic distribution amplitudes, soft components of hadronic form factors etc. Incorporating the QCD sum rule version of the QCD factorization approach, one can relate these nonperturbative functions to more fundamental objects, vacuum condensates, which accumulate information about the nonperturbative structure of the QCD vacuum. The emerging QCD sum rule picture of hadronic form factors is characterized by a dominant role of essentially nonperturbative effects in the few GeV region, with perturbative mechanisms starting to show up for momentum transfers Q{sup 2} closer to 10 GeV{sup 2} and higher. Thus, increasing CEBAF energy provides a unique opportunity for a precision study of interplay between the perturbative and nonperturbative phenomena in the QCD description of elastic processes.
Elastic proton-deuteron scattering at intermediate energies
Ramazani-Moghaddam-Arani, A.; Amir-Ahmadi, H. R.; Biegun, A.; Eslami-Kalantari, M.; Joulaeizadeh, L.; Kalantar-Nayestanaki, N.; Mardanpour, H.; Messchendorp, J. G.; Moeini, H.; Shende, S. V.; Bacher, A. D.; Bailey, C. D.; Stephenson, E. J.; Gasparic, I.; Kistryn, St.; Sworst, R.; Kozela, A.; Micherdzinska, A. M.; Stephan, E.
2008-07-15
Observables in elastic proton-deuteron scattering are sensitive probes of the nucleon-nucleon interaction and three-nucleon force effects. The present experimental database for this reaction is large, but contains a large discrepancy between data sets for the differential cross section taken at 135 MeV/nucleon by two experimental research groups. This article reviews the background of this problem and presents new data taken at Kernfysisch Versneller Instituute (KVI). Differential cross sections and analyzing powers for the {sup 2}H(p-vector,d)p and {sup 1}H(d-vector,d)p reactions at 135 MeV/nucleon and 65 MeV/nucleon, respectively, have been measured. The differential cross-section data differ significantly from previous measurements and consistently follow the energy dependence as expected from an interpolation of published data taken over a large range at intermediate energies.
Elastic scattering of low-energy electrons from toluene
NASA Astrophysics Data System (ADS)
Sakaamini, Ahmad; Hargreaves, L. R.; Khakoo, M. A.; Pastega, D. F.; Bettega, M. H. F.
2016-04-01
Theoretical and normalized experimental differential, momentum transfer, and integral cross sections for vibrationally elastic scattering of low-energy electrons from toluene (C6H5C H3 ) are presented. The differential cross sections are measured at incident energies from 1 to 20 eV and scattering angles from 15° to 130°. The calculated cross sections are obtained using the Schwinger multichannel method with pseudopotentials in the static-exchange plus polarization approximation. Comparisons are made between the present theory and measurements with earlier available measurements. In general, the agreement between the theory and the experiment is very good. We also discuss the resonance spectra of toluene, where we find three π* shape resonances whose locations agree well with the experiment. In addition, we compare the cross sections of toluene and benzene, since the former can be considered as a benzene derivative by the substitution of a hydrogen in benzene by a C H3 group in toluene.
NASA Astrophysics Data System (ADS)
Yu, N.; Zhang, H. Q.; Jia, H. M.; Zhang, S. T.; Ruan, M.; Yang, F.; Wu, Z. D.; Xu, X. X.; Bai, C. L.
2010-07-01
The elastic scattering angular distributions of the weakly bound 9Be projectile from 208Pb and 209Bi have been measured for 14 beam energies near the threshold from 37 to 50 MeV. The parameters of the optical potential are extracted by means of phenomenological optical model analysis with PTOLEMY. Both of the systems show unusual potential behavior in the vicinity of the Coulomb barrier that the strength of the imaginary (absorptive) part of the potential is increasing (rather than decreasing) with decreasing energy, which is quite different from the results of some previous reports. This unusual threshold phenomenon indicates that the breakup channel is strongly coupled with the elastic channel and has obvious effects on the optical potential. The analyses also show that high precision elastic scattering angular distributions, especially those below the Coulomb barrier, are very important for extracting correct threshold behavior of the optical potential.
NASA Astrophysics Data System (ADS)
Rassoulinejad-Mousavi, Seyed Moein; Mao, Yijin; Zhang, Yuwen
2016-06-01
Choice of appropriate force field is one of the main concerns of any atomistic simulation that needs to be seriously considered in order to yield reliable results. Since investigations on the mechanical behavior of materials at micro/nanoscale have been becoming much more widespread, it is necessary to determine an adequate potential which accurately models the interaction of the atoms for desired applications. In this framework, reliability of multiple embedded atom method based interatomic potentials for predicting the elastic properties was investigated. Assessments were carried out for different copper, aluminum, and nickel interatomic potentials at room temperature which is considered as the most applicable case. Examined force fields for the three species were taken from online repositories of National Institute of Standards and Technology, as well as the Sandia National Laboratories, the LAMMPS database. Using molecular dynamic simulations, the three independent elastic constants, C11, C12, and C44, were found for Cu, Al, and Ni cubic single crystals. Voigt-Reuss-Hill approximation was then implemented to convert elastic constants of the single crystals into isotropic polycrystalline elastic moduli including bulk modulus, shear modulus, and Young's modulus as well as Poisson's ratio. Simulation results from massive molecular dynamic were compared with available experimental data in the literature to justify the robustness of each potential for each species. Eventually, accurate interatomic potentials have been recommended for finding each of the elastic properties of the pure species. Exactitude of the elastic properties was found to be sensitive to the choice of the force fields. Those potentials that were fitted for a specific compound may not necessarily work accurately for all the existing pure species. Tabulated results in this paper might be used as a benchmark to increase assurance of using the interatomic potential that was designated for a problem.
Elastic scattering of {sup 9}Li on {sup 208}Pb at energies around the Coulomb barrier
Cubero, M.; Fernandez-Garcia, J. P.; Alvarez, M. A. G.; Lay, J. A.; Moro, A. M.; Acosta, L.; Martel, I.; Sanchez-Benitez, A. M.; Alcorta, M.; Borge, M. J. G.; Tengblad, O.; Buchmann, L.; Shotter, A.; Walden, P.; Diget, D. G.; Fulton, B.; Fynbo, H. O. U.; Galaviz, D.; Gomez-Camacho, J.; Mukha, I.
2011-10-28
We have studied the dynamical effects of the halo structure of {sup 11}Li on the scattering on heavy targets at energies around the Coulomb barrier. This experiment was performed at ISAC-II at TRIUMF with a world record in production of the post-accelerated {sup 11}Li beam. As part of this study we report here on the first measurement of the elastic cross section of the core nucleus, i.e. {sup 9}Li on {sup 208}Pb, at energies around the Coulomb barrier. A preliminary optical model analysis has been performed in order to extract a global optical potential to describe the measured angular distributions.
Low-energy elastic electron scattering from furan
Khakoo, M. A.; Muse, J.; Ralphs, K.; Costa, R. F.; Bettega, M. H. F.; Lima, M. A. P.
2010-06-15
We report normalized experimental and theoretical differential cross sections for elastic electron scattering by C{sub 4}H{sub 4}O (furan) molecules from a collaborative project between several Brazilian theoretical groups and an experimental group at California State Fullerton, USA. The measurements are obtained by using the relative flow method with helium as the standard gas and a thin aperture target gas collimating source. The relative flow method is applied without the restriction imposed by the relative flow pressure condition on helium and the unknown gas. The experimental data were taken at incident electron energies of 1, 1.5, 1.73, 2, 2.7, 3, 5, 7, 10, 20, 30, and 50 eV and covered the angular range between 10 deg. and 130 deg. The measurements verify observed {pi}* shape resonances at 1.65{+-}0.05eV and 3.10{+-}0.05 eV scattering energies, in good agreement with the transmission electron data of Modelli and Burrow [J. Phys. Chem. A 108, 5721 (2004)]. Furthermore, the present results also indicated both resonances dominantly in the d-wave channel. The differential cross sections are integrated in the standard way to obtain integral elastic cross sections and momentum transfer cross sections. The calculations employed the Schwinger multichannel method with pseudopotentials and were performed in the static-exchange and in the static-exchange plus polarization approximations. The calculated integral and momentum transfer cross sections clearly revealed the presence of two shape resonances located at 1.95 and 3.56 eV and ascribed to the B{sub 1} and A{sub 2} symmetries of the C{sub 2v} point group, respectively, in very good agreement with the experimental findings. Overall agreement between theory and experiment regarding the differential, momentum transfer, and integral cross sections is very good, especially for energies below 10 eV.
NASA Astrophysics Data System (ADS)
Ziegenhain, Gerolf; Hartmaier, Alexander; Urbassek, Herbert M.
2009-09-01
Molecular-dynamics simulation can give atomistic information on the processes occurring in nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth, interaction and motion can be studied. We investigate how realistic the interatomic potentials underlying the simulations have to be in order to describe these complex processes. Specifically we investigate nanoindentation into a Cu single crystal. We compare simulations based on a realistic many-body interaction potential of the embedded-atom-method type with two simple pair potentials, a Lennard-Jones and a Morse potential. We find that qualitatively many aspects of nanoindentation are fairly well reproduced by the simple pair potentials: elastic regime, critical stress and indentation depth for yielding, dependence on the crystal orientation, and even the level of the hardness. The quantitative deficits of the pair potential predictions can be traced back: (i) to the fact that the pair potentials are unable in principle to model the elastic anisotropy of cubic crystals and (ii) as the major drawback of pair potentials we identify the gross underestimation of the stable stacking fault energy. As a consequence these potentials predict the formation of too large dislocation loops, the too rapid expansion of partials, too little cross slip and in consequence a severe overestimation of work hardening.
Proton-Proton Elastic Scattering Excitation Functions at Intermediate Energies
Bisplinghoff, J.; Daniel, R.; Diehl, O.; Engelhardt, H.; Ernst, J.; Eversheim, P.; Gro-Hardt, R.; Heider, S.; Heine, A.; Hinterberger, F.; Jahn, R.; Jeske, M.; Lahr, U.; Maschuw, R.; Mayer-Kuckuk, T.; Mosel, F.; Rohdje, H.; Rosendaal, D.; Ro, U.; Scheid, H.; Schulz-Rojahn, M.; Schwandt, F.; Schwarz, V.; Trelle, H.; Wiedmann, W.; Ziegler, R.; Albers, D.; Bollmann, R.; Bueer, K.; Dohrmann, F.; Gasthuber, M.; Greiff, J.; Gro, A.; Igelbrink, M.; Langkau, R.; Lindlein, J.; Mueller, M.; Muenstermann, M.; Schirm, N.; Scobel, W.; Wellinghausen, A.; Woller, K.; Cloth, P.; Gebel, R.; Maier, R.; Prasuhn, D.; von Rossen, P.; Sterzenbach, G.
1997-03-01
Excitation functions of proton-proton elastic scattering cross sections have been measured in narrow steps for projectile momenta p{sub p} (energies T{sub p}) from 1100 to 3300MeV/c (500 to 2500MeV) in the angular range 35{degree}{le}{Theta}{sub c.m.}{le}90{degree} with a detector providing {Delta}{Theta}{sub c.m.}{approx}1.4{degree} resolution. Measurements have been performed continuously during projectile acceleration in the cooler synchrotron COSY with an internal CH{sub 2} fiber target, taking particular care to monitor luminosity as a function of T{sub p}. The advantages of this experimental technique are demonstrated, and the excitation functions obtained are compared to existing cross section data. No evidence for narrow structures was found. {copyright} {ital 1997} {ital The American Physical Society}
Effect of Surface Elasticity on the Piezoelectric Potential of a Bent ZnO Nanowire
NASA Astrophysics Data System (ADS)
Yao, Haiyan; Yun, Guohong; Bai, Narsu; Li, Jiangang
2012-07-01
The influence of surface elasticity on the piezoelectric potential distribution of a deformed ZnO nanowire is investigated by the effective Young's modulus based upon elastic and piezoelectric theory. When the nanowire in radius 25 nm subjects to an lateral applied force 5 nN, the maximum piezoelectric potential of the nanowire we derived is about 13.8 mV, which approaches much more closely to the experiment measurement value (˜10 mV) [Z. L. Wang and J. H. Song: Science 312 (2006) 242]. Moreover, a comprehensive analysis of maximum piezoelectric potential between the cases with and without the effect of surface elasticity is analyzed. The results show that the values of piezoelectric potential generated in ZnO nanowires are decreased due to the surface stiffening. From the theoretical analysis, the effect of surface elasticity has a significant impact on the piezoelectric potential for a bent ZnO nanowire, actually it reduces the gap between theoretical estimation and experiment measurements.
Mukherjee, A.; Hinde, D. J.; Dasgupta, M.; Newton, J. O.; Butt, R. D.; Hagino, K.
2007-04-15
A precise fusion excitation function has been measured for the {sup 12}C+{sup 208}Pb reaction at energies around the barrier, allowing the fusion barrier distribution to be extracted. The fusion cross sections at high energies differ significantly from existing fusion data. Coupled reaction channels calculations have been carried out with the code FRESCO. A bare potential previously claimed to uniquely describe a wide range of {sup 12}C+{sup 208}Pb near-barrier reaction channels failed to reproduce the new fusion data. The nuclear potential diffuseness of 0.95 fm which fits the fusion excitation function over a broad energy range fails to reproduce the elastic scattering. A diffuseness of 0.55 fm reproduces the fusion barrier distribution and elastic scattering data, but significantly overpredicts the fusion cross sections at high energies. This may be due to physical processes not included in the calculations. To constrain calculations, it is desirable to have precisely measured fusion cross sections, especially at energies around the barrier.
Rotationally elastic total cross sections for NH3 on electron impact over a wide energy range
NASA Astrophysics Data System (ADS)
Vinodkumar, Minaxi; Limbachiya, Chetan; Antony, Bobby
2011-10-01
Electron molecule collisions are important over incident energy from very low (0.01 eV) to intermediate and high energies (10 keV). We present rotationally elastic total cross sections for electron scattering for NH3 from 0.01 eV to 2 keV using two different theoretical formalisms. We use Quantemol-N formalism for calculating total cross sections up to threshold of the target and the Spherical Optical Complex Potential (SCOP) method for calculating total cross sections beyond threshold up to 2 keV. Electron molecule collisions are important over incident energy from very low (0.01 eV) to intermediate and high energies (10 keV). We present rotationally elastic total cross sections for electron scattering for NH3 from 0.01 eV to 2 keV using two different theoretical formalisms. We use Quantemol-N formalism for calculating total cross sections up to threshold of the target and the Spherical Optical Complex Potential (SCOP) method for calculating total cross sections beyond threshold up to 2 keV. MVK and BA thank DST, CGL thanks UGC new Delhi.
Alaska's renewable energy potential.
Not Available
2009-02-01
This paper delivers a brief survey of renewable energy technologies applicable to Alaska's climate, latitude, geography, and geology. We first identify Alaska's natural renewable energy resources and which renewable energy technologies would be most productive. e survey the current state of renewable energy technologies and research efforts within the U.S. and, where appropriate, internationally. We also present information on the current state of Alaska's renewable energy assets, incentives, and commercial enterprises. Finally, we escribe places where research efforts at Sandia National Laboratories could assist the state of Alaska with its renewable energy technology investment efforts.
Scattering with absorptive interaction: Energy-dependent potentials
NASA Astrophysics Data System (ADS)
Cassing, W.; Stingl, M.; Weiguny, A.
1983-05-01
The energy dependence and analytic structure of the effective interaction for elastic scattering of composite particles are investigated using Feshbach's projection technique. A generalized Levinson theorem is established for complex, nonlocal, and energy-dependent interactions. The analytical results are illustrated by means of Argand diagrams for a solvable model and the effect of energy averaging is discussed. NUCLEAR REACTIONS Scattering theory, S matrix for absorptive, energy-dependent potentials, Levinson theorem.
Elastic energy loss and longitudinal straggling of a hard jet
Majumder, A.
2009-09-15
The elastic energy loss encountered by jets produced in deep-inelastic scattering (DIS) off a large nucleus is studied in the collinear limit. In close analogy to the case of (nonradiative) transverse momentum broadening, which is dependent on the medium transport coefficient q, a class of medium enhanced higher twist operators which contribute to the nonradiative loss of the forward light-cone momentum of the jet (q{sup -}) are identified and the leading correction in the limit of asymptotically high q{sup -} is isolated. Based on these operator products, a new transport coefficient e is motivated which quantifies the energy loss per unit length encountered by the hard jet. These operator products are then computed, explicitly, in the case of a similar hard jet traversing a deconfined quark-gluon plasma (QGP) in the hard-thermal-loop (HTL) approximation. This is followed by an evaluation of subleading contributions which are suppressed by the inverse light-cone momentum q{sup -}, which yields the longitudinal 'straggling', i.e., a slight change in light cone momentum due to the Brownian propagation through a medium with a fluctuating color field.
NASA Astrophysics Data System (ADS)
Oh, Ju-Won; Alkhalifah, Tariq
2016-07-01
Multi-parameter full waveform inversion (FWI) applied to an elastic orthorhombic model description of the subsurface requires in theory a nine-parameter representation of each pixel of the model. Even with optimal acquisition on the Earth surface that includes large offsets, full azimuth, and multi component sensors, the potential for tradeoff between the elastic orthorhombic parameters are large. The first step to understanding such trade-off is analysing the scattering potential of each parameter, and specifically, its scattering radiation patterns. We investigate such radiation patterns for diffraction and for scattering from a horizontal reflector considering a background isotropic model. The radiation patterns show considerable potential for trade-off between the parameters and the potentially limited resolution in their recovery. The radiation patterns of C11, C22 and C33 are well separated so that we expect to recover these parameters with limited trade-offs. However, the resolution of their recovery represented by recovered range of model wavenumbers varies between these parameters. We can only invert for the short wavelength components (reflection) of C33 while we can mainly invert for the long wavelength components (transmission) of the elastic coefficients C11 and C22 if we have large enough offsets. The elastic coefficients C13, C23 and C12 suffer from strong trade-offs with C55, C44 and C66, respectively. The trade-offs between C13 and C55, as well as C23 and C44, can be partially mitigated if we acquire P-SV and SV-SV waves. However, to reduce the trade-offs between C12 and C66, we require credible SH-SH waves. The analytical radiation patterns of the elastic constants are supported by numerical gradients of these parameters.
NASA Astrophysics Data System (ADS)
Oh, Ju-Won; Alkhalifah, Tariq
2016-09-01
Multiparameter full waveform inversion (FWI) applied to an elastic orthorhombic model description of the subsurface requires in theory a nine-parameter representation of each pixel of the model. Even with optimal acquisition on the Earth surface that includes large offsets, full azimuth, and multicomponent sensors, the potential for trade-off between the elastic orthorhombic parameters are large. The first step to understanding such trade-off is analysing the scattering potential of each parameter, and specifically, its scattering radiation patterns. We investigate such radiation patterns for diffraction and for scattering from a horizontal reflector considering a background isotropic model. The radiation patterns show considerable potential for trade-off between the parameters and the potentially limited resolution in their recovery. The radiation patterns of C11, C22, and C33 are well separated so that we expect to recover these parameters with limited trade-offs. However, the resolution of their recovery represented by recovered range of model wavenumbers varies between these parameters. We can only invert for the short wavelength components (reflection) of C33 while we can mainly invert for the long wavelength components (transmission) of the elastic coefficients C11 and C22 if we have large enough offsets. The elastic coefficients C13, C23, and C12 suffer from strong trade-offs with C55, C44, and C66, respectively. The trade-offs between C13 and C55, as well as C23 and C44, can be partially mitigated if we acquire P-SV and SV-SV waves. However, to reduce the trade-offs between C12 and C66, we require credible SH-SH waves. The analytical radiation patterns of the elastic constants are supported by numerical gradients of these parameters.
Low-energy electron elastic scattering cross sections for excited Au and Pt atoms
NASA Astrophysics Data System (ADS)
Felfli, Zineb; Eure, Amanda R.; Msezane, Alfred Z.; Sokolovski, Dmitri
2010-05-01
Electron elastic total cross sections (TCSs) and differential cross sections (DCSs) in both impact energy and scattering angle for the excited Au and Pt atoms are calculated in the electron impact energy range 0 ⩽ E ⩽ 4.0 eV. The cross sections are found to be characterized by very sharp long-lived resonances whose positions are identified with the binding energies of the excited anions formed during the collisions. The recent novel Regge-pole methodology wherein is embedded through the Mulholland formula the electron-electron correlations is used together with a Thomas-Fermi type potential incorporating the crucial core-polarization interaction for the calculations of the TCSs. The DCSs are evaluated using a partial wave expansion. The Ramsauer-Townsend minima, the shape resonances and the binding energies of the excited Au - and Pt - anions are extracted from the cross sections, while the critical minima are determined from the DCSs.
NASA Astrophysics Data System (ADS)
Farin, Maxime; Mangeney, Anne; Rosny, Julien de; Toussaint, Renaud; Sainte-Marie, Jacques; Shapiro, Nikolaï M.
2016-02-01
Estimating the energy lost in elastic waves during an impact is an important problem in seismology and in industry. We propose three complementary methods to estimate the elastic energy radiated by bead impacts on thin plates and thick blocks from the generated vibration. The first two methods are based on the direct wave front and are shown to be equivalent. The third method makes use of the diffuse regime. These methods are tested for laboratory experiments of impacts and are shown to give the same results, with error bars of 40 percent and 300 percent for impacts on a smooth plate and on a rough block, respectively. We show that these methods are relevant to establish the energy budget of an impact. On plates of glass and PMMA, the radiated elastic energy increases from 2 percent to almost 100 percent of the total energy lost as the bead diameter approaches the plate thickness. The rest of the lost energy is dissipated by viscoelasticity. For beads larger than the plate thickness, plastic deformation occurs and reduces the amount of energy radiated in the form of elastic waves. On a concrete block, the energy dissipation during the impact is principally inelastic because only 0.2-2 percent of the energy lost by the bead is transported by elastic waves. The radiated elastic energy estimated with the presented methods is quantitatively validated by Hertz's model of elastic impact.
NASA Technical Reports Server (NTRS)
Malu, M.; Tien, J. K.
1975-01-01
The effect of elastic modulus and the temperature dependence of elastic modulus on creep activation energies for an oxide dispersion strengthened nickel-base superalloy are investigated. This superalloy is commercially known as Inconel Alloy MA 753, strengthened both by gamma-prime precipitates and by yttria particles. It is shown that at intermediate temperatures, say below 1500 F, where elastic modulus is weakly dependent on temperature, the modulus correction term to creep activation energy is small. Accordingly, modulus corrections are insignificant for the superalloy considered, which shows high apparent creep activation energies at this temperature. On the contrary, at very high temperatures, the elastic modulus correction term can be significant, thus reducing the creep activation energy to that of vacancy self-diffusion. In order to obtain high-temperature creep resistance, a high-value elastic modulus with a weak dependence on temperature is required.
Phenomenological optical potential analysis of proton-carbon elastic scattering at 200 MeV
NASA Technical Reports Server (NTRS)
Bidasaria, H. B.; Townsend, L. W.
1982-01-01
Differential cross sections for 200 MeV protons elastically scattered from C-12 were analyzed utilizing a local, complex, spin-dependent optical potential with a harmonic well radial dependence. Analyses were performed using the WKB and eikonal approximations. For the latter, first-order corrections to he phase shifts were incorporated to account for the spin-orbit contribution. Large disagreement between theory and experiment was observed when the usual Thomas form for the spin-orbit potential was utilized. Substantial improvement was obtained by allowing the parameters in the central and spin-orbit potential terms to vary independently.
The effect of breakup of 6Li on elastic scattering and fusion with 28Si at near barrier energies
NASA Astrophysics Data System (ADS)
Sinha, Mandira; Roy, Subinit; Basu, P.; Majumdar, H.
2016-01-01
Elastic scattering angular distributions for 6Li+28Si system were measured at Elab = 16, 21MeV and analyzed along with the existing data from the previous measurements in the energy range of Elab = 7.5 - 27MeV. The measured cross-sections and the existing data, forming a set of angular distributions over a range of E/Vb = 0.9 - 3.23, were analyzed using the phenomenological optical model potential (OMP). Three different sets of potential parameters were used. The energy dependence of the real and the imaginary potential strengths were, subsequently, extracted at the radius of sensitivity (Rav) for the system. Continuum Discretized Coupled Channel (CDCC) calculation was performed to explore the contribution of projectile break-up (BU) on the observed energy dependence of the effective potential for elastic scattering of 6Li from 28Si. The energy variation of the strength of the real potential with continuum coupling was found to agree with the energy dependence of the same extracted from the (OMP) analysis at energies around the barrier. But the behavior of the imaginary strength appeared to be different. The calculated fusion cross-sections, including the effect of BU, clearly overestimated the measured fusion excitation function data in the below and near barrier energies but compared well with the data at higher energies.
Biaxial load effects on the crack border elastic strain energy and strain energy rate
NASA Technical Reports Server (NTRS)
Eftis, J.; Subramonian, N.; Liebowitz, H.
1977-01-01
The validity of the singular solution (first term of a series representation) is investigated for the crack tip stress and displacement field in an infinite sheet with a flat line crack with biaxial loads applied to the outer boundaries. It is shown that if one retains the second contribution to the series approximations for stress and displacement in the calculation of the local elastic strain energy density and elastic strain energy rate in the crack border region, both these quantities have significant biaxial load dependency. The value of the J-integral does not depend on the presence of the second term of the series expansion for stress and displacement. Thus J(I) is insensitive to the presence of loads applied parallel to the plane of the crack.
Partial-wave analysis for elastic p{sup 13}C scattering at astrophysical energies
Dubovichenko, S. B.
2012-03-15
A standard partial-wave analysis was performed on the basis of known measurements of differential cross sections for elastic p{sup 13}C scattering at energies in the range 250-750 keV. This analysis revealed that, in the energy range being considered, it is sufficient to take into account the {sup 3}S{sub 1} wave alone. A potential for the triplet {sup 3}S{sub 1}-wave state of the p{sup 13}C system in the region of the J{sup p}T = 1{sup -1} resonance at 0.55 MeV was constructed on the basis of the phase shifts obtained from the aforementioned partial-wave analysis.
Curve crossing for low-energy elastic scattering of He/+/ by Ne.
NASA Technical Reports Server (NTRS)
Bobbio, S. M.; Doverspike, L. D.; Champion, R. L.
1973-01-01
The perturbation seen in the experimental differential elastic-scattering cross section for the 40-eV He/+/ + Ne system has been attributed to a single crossing of two intermolecular potential-energy curves. A new theoretical treatment of the curve-crossing problem, namely, that of Delos and Thorson, is employed to obtain the crossing probabilities and phases associated with the crossing. These are determined by utilizing ab initio potentials involved in the crossing and are further used in a partial-wave calculation of the cross section, which is compared with our experiment. The origin of the oscillatory structure observed in the differential cross section is discussed in semiclassical terms by defining the problem in terms of two pseudo-deflection-functions. A rainbow effect is shown to be related to a particular feature (a maximum rather than a minimum) of these deflection functions.
Parton-parton elastic scattering and rapidity gaps at SSC and LHC energies
Duca, V.D.
1993-08-01
The theory of the perturbative pomeron, due to Lipatov and collaborators, is used to compute the probability of observing parton-parton elastic scattering and rapidity gaps between jets in hadron collisions at SSC and LHC energies.
Parton-parton elastic scattering and rapidity gaps at Tevatron energies
Del Duca, V.; Tang, Wai-Keung
1993-08-01
The theory of the perturbative pomeron, due to Lipatov and collaborators, is used to compute the probability of observing parton-parton elastic scattering and rapidity gaps between jets in hadron collisions at Tevatron energies.
Asgari, Meisam
2015-09-01
An expression for the elastic free-energy density of a wormlike micelle is derived taking into account interactions between its constituent molecules. The resulting expression is quadratic in the curvature and torsion of the centerline of micelle and thus resembles free-energy density functions for polymer chains and helical filaments such as DNA. The model is applied on a wormlike micelle in the shape of a circular arc, open or closed. Conditions under which linear chains in dilute systems transform into toroidal rings are analyzed. Two concrete anisotropic soft-core interaction potentials are used to calculate the elastic moduli present in the derived model, in terms of the density of the molecules and their dimensions. Expressions for the persistence length of the wormlike micelle are found based on the flexural rigidities so obtained. Similar to previous observations, our results indicate that the persistence length of a wormlike micelle increases as the aspect ratio of its constituent molecules increases. A detailed application of the model on wormlike micelles of toroidal geometry, along with employing statistical-thermodynamical concepts of self-assembly is performed, and the results are found to be well consistent with the literature. Steps to obtain the material parameters through possible experiments are discussed. PMID:26362658
Low energy elastic electron scattering from CF{sub 3}Br molecules
Hargreaves, L. R.; Brunton, J. R.; Maddern, T. M.; Brunger, M. J.
2015-03-28
CF{sub 3}Br is a potentially valuable precursor molecule for generating beams of gas phase Br radicals suitable for electron collisions studies. However, the utility of CF{sub 3}Br for this purpose depends critically on the availability of sound scattering cross sections to allow the contribution of the precursor to be isolated within the total scattering signal. To this end, here we present elastic differential cross section (DCS) measurements for CF{sub 3}Br at incident energies between 15 and 50 eV. Comparison of these DCSs to those from the only other available experimental study [Sunohara et al., J. Phys. B: At., Mol. Opt. Phys. 36, 1843 (2003)] and a Schwinger multichannel with pseudo potentials (SMCPPs) calculation [Bettega et al., J. Phys. B: At., Mol. Opt. Phys. 36, 1263 (2003)] shows generally a very good accord. Integral elastic and momentum transfer cross sections, derived from our DCSs, are also found to be in quite good agreement with the SMCPP results.
Nicoli, M. P.; Haas, F.; Freeman, R. M.; Szilner, S.; Basrak, Z.; Morsad, A.; Satchler, G. R.; Brandan, M. E.
2000-03-01
Detailed measurements of the elastic scattering of {sup 16}O ions from {sup 12}C have been carried out at seven energies from 62 to 124 MeV, at center-of-mass angles from about 10 degree sign to about 145 degree sign . A coherent optical model analysis of these data has been performed using both the Woods-Saxon and the folding-model potentials. The extracted results are consistent with analyses of data at higher energies for this and similar light heavy-ion systems. Some model-independent spline forms for the real potentials were also investigated. (c) 2000 The American Physical Society.
The cross-bridge spring: can cool muscles store elastic energy?
George, N T; Irving, T C; Williams, C D; Daniel, T L
2013-06-01
Muscles not only generate force. They may act as springs, providing energy storage to drive locomotion. Although extensible myofilaments are implicated as sites of energy storage, we show that intramuscular temperature gradients may enable molecular motors (cross-bridges) to store elastic strain energy. By using time-resolved small-angle x-ray diffraction paired with in situ measurements of mechanical energy exchange in flight muscles of Manduca sexta, we produced high-speed movies of x-ray equatorial reflections, indicating cross-bridge association with myofilaments. A temperature gradient within the flight muscle leads to lower cross-bridge cycling in the cooler regions. Those cross-bridges could elastically return energy at the extrema of muscle lengthening and shortening, helping drive cyclic wing motions. These results suggest that cross-bridges can perform functions other than contraction, acting as molecular links for elastic energy storage. PMID:23618763
Contribution to the theory of tidal oscillations of an elastic earth. External tidal potential
NASA Technical Reports Server (NTRS)
Musen, P.
1974-01-01
The differential equations of the tidal oscillations of the earth were established under the assumption that the interior of the earth is laterally inhomogeneous. The theory was developed using vectorial and dyadic symbolism to shorten the exposition and to reduce the differential equations to a symmetric form convenient for programming and for numerical integration. The formation of tidal buldges on the surfaces of discontinuity and the changes in the internal density produce small periodic variations in the exterior geopotential which are reflected in the motion of artificial satellites. The analoques of Love elastic parameters in the expansion of exterior tidal potential reflect the asymmetric and inhomogeneous structure of the interior of the earth.
Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor.
Fossépré, Mathieu; Leherte, Laurence; Laaksonen, Aatto; Vercauteren, Daniel P
2016-09-01
Despite progress in computer modeling, most biological processes are still out of reach when using all-atom (AA) models. Coarse-grained (CG) models allow classical molecular dynamics (MD) simulations to be accelerated. Although simplification of spatial resolution at different levels is often investigated, simplification of the CG potential in itself has been less common. CG potentials are often similar to AA potentials. In this work, we consider the design and reliability of purely mechanical CG models of the μ opioid receptor (μOR), a G protein-coupled receptor (GPCR). In this sense, CG force fields (FF) consist of a set of holonomic constraints guided by an elastic network model (ENM). Even though ENMs are used widely to perform normal mode analysis (NMA), they are not often implemented as a single FF in the context of MD simulations. In this work, various ENM-like potentials were investigated by varying their force constant schemes and connectivity patterns. A method was established to systematically parameterize ENM-like potentials at different spatial resolutions by using AA data. To do so, new descriptors were introduced. The choice of conformation descriptors that also include flexibility information is important for a reliable parameterization of ENMs with different degrees of sensitivity. Hence, ENM-like potentials, with specific parameters, can be sufficient to accurately reproduce AA MD simulations of μOR at highly coarse-grained resolutions. Therefore, the essence of the flexibility properties of μOR can be captured with simple models at different CG spatial resolutions, opening the way to mechanical approaches to understanding GPCR functions. Graphical Abstract All atom structure, residue interaction network and coarse-grained elastic network models of the μ opioid receptor (μOR). PMID:27566318
Variation of the energy release rate as a crack approaches and passes through an elastic inclusion
NASA Technical Reports Server (NTRS)
Li, Rongshun; Chudnovsky, A.
1993-01-01
The variation of the energy release rate (ERP) at the tip of a crack penetrating an elastic inclusion is analyzed using an approach involving modeling the random array of microcracks or other defects by an elastic inclusion with effective elastic properties. Computations are carried out using a finite element procedure. The eight-noded isoparametric serendipity element with the shift of the midpoint to the quarter-point is used to simulate the singularity at the crack tip, and the crack growth is accommodated by implementing a mesh regeneration technique. The ERP values were calculated for various crack tip positions which simulate the process of the crack approaching and penetrating the inclusion.
Price Elasticities for Energy Use in Buildings of the United States
2014-01-01
Energy demand tends to be responsive to changes in energy prices, a concept in economics known as price elasticity. Generally, an increase in a fuel price causes users to use less of that fuel or switch to a different fuel. The extent to which each of these changes takes place is of high importance to stakeholders in the energy sector and especially in energy planning. The purpose of this analysis is to determine fuel-price elasticities in stationary structures, particularly in the residential and commercial sectors.
El-Azab Farid, M.
2006-12-15
Analysis of the differential cross sections for {sup 4}He +{sup 4}He elastic scattering is performed within the framework of the double-folding optical model. Two appropriate effective nucleon-nucleon interactions are employed to generate the {alpha}-{alpha} folded real potentials. The obtained potentials in conjunction with phenomenological Woods-Saxon (WS) derivative imaginary potentials are used to investigate six sets of the elastic scattering data through the energy range 100-280 MeV. Successful reproduction of the data is obtained by both considered interactions. In addition, real phenomenological potentials expressed in a squared WS form are successfully used to reproduce these data.
Sun, Qicheng; Jin, Feng; Wang, Guangqian; Song, Shixiong; Zhang, Guohua
2015-01-01
Mesoscopic structures form in dense granular materials due to the self-organisation of the constituent particles. These structures have internal structural degrees of freedom in addition to the translational degree of freedom. The resultant granular elasticity, which exhibits intrinsic variations and inevitable relaxation, is a key quantity that accounts for macroscopic solid- or fluid-like properties and the transitions between them. In this work, we propose a potential energy landscape (PEL) with local stable basins and low elastic energy barriers to analyse the nature of granular elasticity. A function for the elastic energy density is proposed for stable states and is further calibrated with ultrasonic measurements. Fluctuations in the elastic energy due to the evolution of internal structures are proposed to describe a so-called configuration temperature Tc as a counterpart of the classical kinetic granular temperature Tk that is attributed to the translational degrees of freedom. The two granular temperatures are chosen as the state variables, and a fundamental equation is established to develop non-equilibrium thermodynamics for granular materials. Due to the relatively low elastic energy barrier in the PEL, granular elasticity relaxes more under common mechanical loadings, and a simple model based on mean-field theory is developed to account for this behaviour. PMID:25951049
The curvature elastic-energy function of the lipid-water cubic mesophase
NASA Astrophysics Data System (ADS)
Chung, Hesson; Caffrey, Martin
1994-03-01
CELL and lipid membranes are able to bend, as manifested during membrane fusion and the formation of non-lamellar lyotropic mesopbases in water. But there is an energy cost to bending of lipid layers, called the curvature elastic energy. Although the functional form of this energy is known1, a complete quantitative knowledge of the curvature elastic energy, which is central to predicting the relative stability of the large number of phases that lipid membranes can adopt, has been lacking. Here we use X-ray synchrotron diffraction measurements of the variation of lattice parameter with pressure and temperature for the periodic Ia3d (Q230) cubic phase of hydrated monoolein to calculate the complete curvature elastic-energy function for the lipid cubic mesophase. This allows us to predict the stabilities of different cubic and lamellar phases for this system as a function of composition.
NASA Astrophysics Data System (ADS)
Tőkési, K.; Varga, D.; Berényi, Z.
2015-07-01
We present results of theoretical and experimental studies of the spectra of electrons backscattered elastically from polyethylene in the primary energy range between 1 and 5 keV. The experiments were performed using a high energy resolution electron spectroscopy. The theoretical interpretation is based on a Monte Carlo simulation of the recoil and Doppler effects. The separation between the carbon and hydrogen peak in the energy distributions is shown as a function of the primary electron energy. The simulations give many partial distributions separately, depending on the number of elastic scatterings (single, and multiple scatterings of different types). We show our results for intensity ratios, peak shifts and broadenings. We also present detailed analytical calculations for the main parameters of a single scattering. Finally, we present a qualitative comparison with the experimental data. We find our resulting energy distribution of elastically scattered electrons to be in good agreement with our measurements.
Konow, Nicolai; Roberts, Thomas J.
2015-01-01
During downhill running, manoeuvring, negotiation of obstacles and landings from a jump, mechanical energy is dissipated via active lengthening of limb muscles. Tendon compliance provides a ‘shock-absorber’ mechanism that rapidly absorbs mechanical energy and releases it more slowly as the recoil of the tendon does work to stretch muscle fascicles. By lowering the rate of muscular energy dissipation, tendon compliance likely reduces the risk of muscle injury that can result from rapid and forceful muscle lengthening. Here, we examine how muscle–tendon mechanics are modulated in response to changes in demand for energy dissipation. We measured lateral gastrocnemius (LG) muscle activity, force and fascicle length, as well as leg joint kinematics and ground-reaction force, as turkeys performed drop-landings from three heights (0.5–1.5 m centre-of-mass elevation). Negative work by the LG muscle–tendon unit during landing increased with drop height, mainly owing to greater muscle recruitment and force as drop height increased. Although muscle strain did not increase with landing height, ankle flexion increased owing to increased tendon strain at higher muscle forces. Measurements of the length–tension relationship of the muscle indicated that the muscle reached peak force at shorter and likely safer operating lengths as drop height increased. Our results indicate that tendon compliance is important to the modulation of energy dissipation by active muscle with changes in demand and may provide a mechanism for rapid adjustment of function during deceleration tasks of unpredictable intensity. PMID:25716796
Results on neutrino-electron elastic scattering at AGS energies
Lanou, R.E.
1984-02-26
In an experiment designed to study elastic scattering of nu/sub ..mu../ (and anti nu/sub ..mu../) from electrons and protons via the weak neutral current, we have recently completed several extensive data taking runs. Results for the cross section of nu/sub ..mu../ + e/sup -/ ..-->.. nu/sub ..mu../ + e/sup -/ are presented based upon the first third of the available sample. Preliminary analysis of anti nu/sub ..mu../ + e/sup -/ ..-->.. anti nu/sub ..mu../ + e/sup -/ is in progress and evidence for the signal is presented.
Renewable energy potential in Colombia
NASA Astrophysics Data System (ADS)
Correa Guzman, Jose Luis
2008-12-01
Renewable energy flows are very large in comparison with humankind's use of energy. In principle, all our energy needs, both now and into the future, can be met by energy from renewable sources. After many years trying to develop the alternative energy potential of Colombia, a major effort is principally being made since 2000 to explore and assess the renewable resources of the entire country. Until 2000, the availability of conventional energy sources in Colombia prevented renewable energy exploration from reaching a higher level. However, the extreme energy crisis of 1992 - 1993 alerted the authorities and the community to the necessity for exploring alternative energy sources. This energy study is a general approach to the current and future renewable energy scenario of Colombia. It was prepared in response to the increased interest around the world and in particular in Colombia to develop its non-fossil energy prospective. It, therefore, represents a working document giving an initial impression of the possible scale of the main renewables sources as a response to the concern about energy security and fossil fuel dependence problems. The assumptions made and calculations reported may therefore be subject to revision as more information becomes available. The aim of this dissertation is not only to improve the public understanding and discussion of renewable energy matters in Colombia but also to stimulate the development and application of renewable energy, wherever they have prospects of economic viability and environmental acceptability. To achieve such goal this paper reviews several renewable technologies, their availability, contribution and feasibility in Colombia.
NASA Astrophysics Data System (ADS)
Zagatto, V. A. B.; Oliveira, J. R. B.; Gasques, L. R.; Alcántara-Núñez, J. A.; Duarte, J. G.; Aguiar, V. P.; Medina, N. H.; Seale, W. A.; Pires, K. C. C.; Freitas, A.; Lubian, J.; Shorto, J. M. B.; Genezini, F. A.; Rossi, E. S., Jr.
2016-06-01
The reaction of 7Li+120Sn has been measured at bombarding energies of 21, 24 and 27 MeV. The {2}+\\to {0}+ γ -ray transition in 120Sn was observed and the angular distribution for the 2+ excited state was obtained. Coupled channels and coupled-reaction channels calculations, including the dynamical polarization potential due to the projectile break-up, obtained from continuum discretized coupled channel calculations, were performed. The comparison between the existing experimental elastic angular distribution with the coupled-reaction channels calculations indicates that the 1n stripping transfer is the most intense channel to be coupled and the 2n stripping reaction occurs sequentially rather than directly, however, further data must be analyzed to confirm this indication. The experimental elastic and inelastic scattering data were well described by the calculations, but some discrepancies in these channels may indicate the need for corrections to the nuclear potential and/or the necessity to incorporate further channels.
Theoretical modeling for neutron elastic scattering angular distribution in the fast energy range
Kawano, Toshihiko
2010-12-07
One of the major issues of neutron scattering modeling in the fast energy range is the contribution of compound elastic and inelastic scattering to the total scattering process. The compound component may become large at very low energies where the angular distribution becomes 90-degree symmetric in the center-of-mass system. Together with the shape elastic component, the elastic scattering gives slightly forward-peaked angular distributions in the fast energy range. This anisotropic angular distribution gives high sensitivities to many important nuclear reactor characteristics, such as criticality and neutron shielding. In this talk we describe how the anisotropic angular distributions are calculated within the statistical model framework, including the case where strongly coupled channels exist, by combining the coupled-channels theory with the Hauser-Feshbach model. This unique capability extension will have significant advantages in understanding the neutron scattering process for deformed nuclei, like uranium or plutonium, on which advanced nuclear energy applications center.
Effect of coupled channels on the energy dependence of phenomenological optical potential parameters
NASA Astrophysics Data System (ADS)
Al-Rayashi, W. S.; Jaghoub, M. I.
2016-06-01
The phenomenological optical potential parameters are known to vary with incident energy due to sources of nonlocalities in the nucleon-nucleus elastic scattering process. Here we investigate the effect of one source, which is coupling the ground-state elastic channel to collective inelastic excitations on the energy dependence of the optical potential parameters. For incident energies in the range 10-70 MeV, we considered elastic and inelastic nucleon scattering from light, medium, and heavy nuclei ranging from 6Li to 208Pb. The potential parameters were first determined by fitting the elastic angular distributions only. Then we included coupling to collective excitation channels and determined the potential parameters that reproduced the elastic and inelastic angular distribution data simultaneously. Our results show that coupling to inelastic excitations reduces the energy variations of the potential parameters compared to that of the elastic scattering case. In particular, the our best fit values for the real part of the spin-orbit term are highly stable as a function of energy. The values of the surface imaginary term are not only more stable but are also reduced compared to the elastic case. The reduction is a direct consequence of the channel coupling accounting explicitly for part of the flux removed from the elastic channel. In the fitting process we also searched for the best fit values of the deformation parameters. Our values compare well with the corresponding ones obtained in previous works. Finally, we used our best fit values for the potential and deformation parameters to theoretically predict the total elastic, total cross section, and polarization data. The predicted values are in very good agreement with the experimental data.
Addressing preservation of elastic contrast in energy-filtered transmission electron microscopy.
Brown, H G; D'Alfonso, A J; Forbes, B D; Allen, L J
2016-01-01
Energy-filtered transmission electron microscopy (EFTEM) images with resolutions of the order of an Ångström can be obtained using modern microscopes corrected for chromatic aberration. However, the delocalized nature of the transition potentials for atomic ionization often confounds direct interpretation of EFTEM images, leading to what is known as "preservation of elastic contrast". In this paper we demonstrate how more interpretable images might be obtained by scanning with a focused coherent probe and incoherently averaging the energy-filtered images over probe position. We dub this new imaging technique energy-filtered imaging scanning transmission electron microscopy (EFISTEM). We develop a theoretical framework for EFISTEM and show that it is in fact equivalent to precession EFTEM, where the plane wave illumination is precessed through a range of tilts spanning the same range of angles as the probe forming aperture in EFISTEM. It is demonstrated that EFISTEM delivers similar results to scanning transmission electron microscopy with an electron energy-loss spectrometer but has the advantage that it is immune to coherent aberrations and spatial incoherence of the probe and is also more resilient to scan distortions. PMID:26476801
The role of elastic energy in activities with high force and power requirements: a brief review.
Wilson, Jacob M; Flanagan, Eamonn P
2008-09-01
The purpose of this article is to provide strength and conditioning practitioners with an understanding of the role of elastic energy in activities with high force and power requirements. Specifically, the article covers 1) the nature of elasticity and its application to human participants, 2) the role of elastic energy in activities requiring a stretch-shorten cycle such as the vertical jump, 3) the role of muscular stiffness in athletic performance, 4) the control of muscular stiffness through feedforward and feedback mechanisms, and 5) factors affecting muscular stiffness. Finally, practical applications are provided. In this section, it is suggested that the storage and reuse of elastic energy is optimized at relatively higher levels of stiffness. Because stiffness decreases as fatigue ensues as well as with stretching before an event, the article emphasizes the need for proper preparation phases in a periodized cycle and the avoidance of long static stretches before high-force activities. The importance of teaching athletes to transition from eccentric to concentric movements with minimal time delays is also proposed due to the finding that time delays appear to decrease the reuse of elastic energy. In addition to teaching within the criterion tasks, evidence is provided that minimizing transitions in plyometric training, a technique demonstrated to increase musculotendinous stiffness, can optimize power output in explosive movements. Finally, evidence is provided that training and teaching programs designed to optimize muscular stiffness may protect athletes against sports-related injuries. PMID:18714212
cap alpha. /sup 4/He elastic scattering at high energies
Usmani, A.A.; Ahmad, I.; Usmani, Q.N.
1989-03-01
Differential cross sections for ..cap alpha.. /sup 4/He elastic scattering have been calculated at incident ..cap alpha..-particle momenta of 4.32, 5.07, and 7.0 GeV/c within the framework of Glauber multiple scattering theory. The full Glauber amplitude has been calculated using the Monte Carlo method for evaluating multidimensional integrals. We found that, in general, the more realistic double-Gaussian model for the density brings theory closer to experiment as compared to the generally used single-Gaussian model in some momentum transfer regions. Our results with the double-Gaussian model and an acceptable set of NN parameters are in fairly good agreement with the experimental data at 4.32 and 5.07 GeV/c.
Spectral Modeling of Residual Stress and Stored Elastic Strain Energy in Thermal Barrier Coatings
Donegan, Sean; Rolett, Anthony
2013-12-31
Solutions to the thermoelastic problem are important for characterizing the response under temperature change of refractory systems. This work extends a spectral fast Fourier transform (FFT) technique to analyze the thermoelastic behavior of thermal barrier coatings (TBCs), with the intent of probing the local origins of failure in TBCs. The thermoelastic FFT (teFFT) approach allows for the characterization of local thermal residual stress and strain fields, which constitute the origins of failure in TBC systems. A technique based on statistical extreme value theory known as peaks-over-threshold (POT) is developed to quantify the extreme values ("hot spots") of stored elastic strain energy (i.e., elastic energy density, or EED). The resolution dependence of the teFFT method is assessed through a sensitivity study of the extreme values in EED. The sensitivity study is performed both for the local (point-by-point) eld distributions as well as the grain scale eld distributions. A convergence behavior to a particular distribution shape is demonstrated for the local elds. The grain scale fields are shown to exhibit a possible convergence to a maximum level of EED. To apply the teFFT method to TBC systems, 3D synthetic microstructures are created to approximate actual TBC microstructures. The morphology of the grains in each constituent layer as well as the texture is controlled. A variety of TBC materials, including industry standard materials and potential future materials, are analyzed using the teFFT. The resulting hot spots are quantified using the POT approach. A correlation between hot spots in EED and interface rumpling between constituent layers is demonstrated, particularly for the interface between the bond coat (BC) and the thermally grown oxide (TGO) layer.
The elastic free energy of a tandem modular protein under force.
Valle-Orero, Jessica; Eckels, Edward C; Stirnemann, Guillaume; Popa, Ionel; Berkovich, Ronen; Fernandez, Julio M
2015-05-01
Recent studies have provided a theoretical framework for including entropic elasticity in the free energy landscape of proteins under mechanical force. Accounting for entropic elasticity using polymer physics models has helped explain the hopping behavior seen in single molecule experiments in the low force regime. Here, we expand on the construction of the free energy of a single protein domain under force proposed by Berkovich et al. to provide a free energy landscape for N tandem domains along a continuous polypeptide. Calculation of the free energy of individual domains followed by their concatenation provides a continuous free energy landscape whose curvature is dominated by the worm-like chain at forces below 20 pN. We have validated our free energy model using Brownian dynamics and reproduce key features of protein folding. This free energy model can predict the effects of changes in the elastic properties of a multidomain protein as a consequence of biological modifications such as phosphorylation or the formation of disulfide bonds. This work lays the foundations for the modeling of tissue elasticity, which is largely determined by the properties of tandem polyproteins. PMID:25796331
Nonlinear Elastic Effects on the Energy Flux Deviation of Ultrasonic Waves in GR/EP Composites
NASA Technical Reports Server (NTRS)
Prosser, William H.; Kriz, R. D.; Fitting, Dale W.
1992-01-01
In isotropic materials, the direction of the energy flux (energy per unit time per unit area) of an ultrasonic plane wave is always along the same direction as the normal to the wave front. In anisotropic materials, however, this is true only along symmetry directions. Along other directions, the energy flux of the wave deviates from the intended direction of propagation. This phenomenon is known as energy flux deviation and is illustrated. The direction of the energy flux is dependent on the elastic coefficients of the material. This effect has been demonstrated in many anisotropic crystalline materials. In transparent quartz crystals, Schlieren photographs have been obtained which allow visualization of the ultrasonic waves and the energy flux deviation. The energy flux deviation in graphite/epoxy (gr/ep) composite materials can be quite large because of their high anisotropy. The flux deviation angle has been calculated for unidirectional gr/ep composites as a function of both fiber orientation and fiber volume content. Experimental measurements have also been made in unidirectional composites. It has been further demonstrated that changes in composite materials which alter the elastic properties such as moisture absorption by the matrix or fiber degradation, can be detected nondestructively by measurements of the energy flux shift. In this research, the effects of nonlinear elasticity on energy flux deviation in unidirectional gr/ep composites were studied. Because of elastic nonlinearity, the angle of the energy flux deviation was shown to be a function of applied stress. This shift in flux deviation was modeled using acoustoelastic theory and the previously measured second and third order elastic stiffness coefficients for T300/5208 gr/ep. Two conditions of applied uniaxial stress were considered. In the first case, the direction of applied uniaxial stress was along the fiber axis (x3) while in the second case it was perpendicular to the fiber axis along the
Ab initio Potential Energy Surface for H-H2
NASA Technical Reports Server (NTRS)
Partridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene
1993-01-01
Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.
NASA Astrophysics Data System (ADS)
Kessler, J. A.; Evans, J. P.; Schmitt, D. R.; Shervais, J. W.
2013-12-01
The western Snake River Plain is a region of high crustal heat flow and has the potential for commercial geothermal energy development. High-temperature crystalline reservoirs commonly have connected fracture networks and other discontinuities that provide the primary fluid storage and permeability (Type I fractures). A borehole was drilled during the DOE/ICDP Snake River Scientific Drilling Program near Mountain Home, Idaho to a depth of ~1,800 m (6,000 ft) with 85 - 90% slimhole core recovery to assess the potential for geothermal energy development. A high-temperature artesian flow zone was encountered in basalt at a depth of 1,745 m (5,726 ft) in the MH-2 borehole with fluid temperatures above 140°C (240°F). Analysis of geomechanical behavior of rocks requires an understanding of basic physical and elastic properties under dynamic in-situ stress conditions. Here we conduct unconfined uniaxial compressive stress experiments on core samples to measure static elastic properties and compressive strength over a ~305 m (1,000 ft) interval of the borehole above and including the geothermal reservoir. Acoustic velocities are measured under pressure and temperature scenarios to calculate dynamic elastic properties and describe the anisotropy of elastic moduli and compressive strength. Dynamic elastic properties are calculated from dipole sonic borehole log data and compare the results to the previous dynamic and static interpretations. The comparison demonstrates that the calculation of dynamic elastic properties from borehole data is an effective method to interpret and describe mechanical stratigraphy and elastic properties in the case that core is not available for analysis in this area. Natural fractures, induced fractures, and breakouts are mapped in acoustic televiewer data. Fracture density is calculated and compared to lithological and mechanical stratigraphy, defined by the physical properties, elastic properties, and strength measurements. The stratigraphic
Nucleation rate of critical droplets on an elastic string in a {phi}{sup 6} potential
Kerr, W.C.; Graham, A.J.
2004-12-01
We obtain the nucleation rate of critical droplets for an elastic string moving in a {phi}{sup 6} local potential and subject to noise and damping forces. The critical droplet is a bound soliton-antisoliton pair that carries a section of the string out of the metastable central minimum into one of the stable side minima. The frequencies of small oscillations about the critical droplet are obtained from a Heun equation. We solve the Fokker-Planck equation for the phase-space probability density by projecting it onto the eigenfunction basis obtained from the Heun equation. We employ Farkas' 'flux-overpopulation' method to obtain boundary conditions for solving the Fokker-Planck equation; these restrict the validity of our solution to the moderate to heavy damping regime. We present results for the rate as a function of temperature, well depth, and damping.
California Industrial Energy Efficiency Potential
Coito, Fred; Worrell, Ernst; Price, Lynn; Masanet, Eric; RafaelFriedmann; Rufo, Mike
2005-06-01
This paper presents an overview of the modeling approach andhighlights key findings of a California industrial energy efficiencypotential study. In addition to providing estimates of technical andeconomic potential, the study examines achievable program potential undervarious program-funding scenarios. The focus is on electricity andnatural gas savings for manufacturing in the service territories ofCalifornia's investor-owned utilities (IOUs). The assessment is conductedby industry type and by end use. Both crosscutting technologies andindustry-specific process measures are examined. Measure penetration intothe marketplace is modeled as a function of customer awareness, measurecost effectiveness, and perceived market barriers. Data for the studycomes from a variety of sources, including: utility billing records, theEnergy Information Association (EIA) Manufacturing Energy ConsumptionSurvey (MECS), state-sponsored avoided cost studies, energy efficiencyprogram filings, and technology savings and cost data developed throughLawrence Berkeley National Laboratory (LBNL). The study identifies 1,706GWh and 47 Mth (million therms) per year of achievable potential over thenext twelve years under recent levels of program expenditures, accountingfor 5.2 percent of industrial electricity consumption and 1.3 percent ofindustrial natural gas consumption. These estimates grow to 2,748 GWh and192 Mth per year if all cost-effective and achievable opportunities arepursued. Key industrial electricity end uses, in terms of energy savingspotential, include compressed air and pumping systems that combine toaccount for about half of the total achievable potential estimates. Fornatural gas, savings are concentrated in the boiler and process heatingend uses, accounting for over 99 percent to total achievablepotential.
NASA Astrophysics Data System (ADS)
Luo, S. S.; Grugan, P. D.; Walker, B. C.
2015-03-01
Using a relativistic adaptation of a three-step recollision model we calculate photoelectron energy spectra for ionization with elastic scattering in ultrastrong laser fields up to 24 a.u. (2 ×1019 W/cm 2) . Hydrogenlike and noble gas species with Hartree-Fock scattering potentials show a reduction in elastic rescattering beyond 6 ×1016 W/cm 2 when the laser Lorentz deflection of the photoelectron exceeds its wave-function spread. A relativistic rescattering enhancement occurs at 2 ×1018 W/cm 2, commensurate with the relativistic motion of a classical electron in a single field cycle. The noble gas results are compared with available experiments. The theory approach is well suited to modeling scattering in the ultrastrong intensity regime that lies between traditional strong fields and extreme relativistic interactions.
Bolaños, Jorge A.; Longstreth, David J.
1984-01-01
Pressure volume curves for Alternanthera philoxeroides (Mart.) Griseb. (alligator weed) grown in 0 to 400 millimolar NaCl were used to determine water potential (Ψ), osmotic potential (ψs), turgor potential (ψp) and the bulk elastic modulus (ε) of shoots at different tissue water contents. Values of ψs decreased with increasing salinity and tissue Ψ was always lower than rhizosphere Ψ. The relationship between ψp and tissue water content changed because ε increased with salinity. As a result, salt-stressed plants had larger ranges of positive turgor but smaller ranges of tissue water content over which ψp was positive. To our knowledge, this is the first report of such a salinity effect on ε in higher plants. These increases in ε with salinity provided a mechanism by which a large difference between plant Ψ and rhizosphere Ψ, the driving force for water uptake, could be produced with relatively little water loss by the plant. A time-course study of response after salinization to 400 millimolar NaCl showed Ψ was constant within 1 day, ψs and ψp continued to change for 2 to 4 days, and ε continued to change for 4 to 12 days. Changes in ε modified the capacity of alligator weed to maintain a positive water balance and consideration of such changes in other species of higher plants should improve our understanding of salt stress. PMID:16663611
The potential of renewable energy
Not Available
1990-03-01
On June 27 and 28, 1989, the US Department of Energy (DOE) national laboratories were convened to discuss plans for the development of a National Energy Strategy (NES) and, in particular, the analytic needs in support of NES that could be addressed by the laboratories. As a result of that meeting, interlaboratory teams were formed to produce analytic white papers on key topics, and a lead laboratory was designated for each core laboratory team. The broad-ranging renewables assignment is summarized by the following issue statement from the Office of Policy, Planning and Analysis: to what extent can renewable energy technologies contribute to diversifying sources of energy supply What are the major barriers to greater renewable energy use and what is the potential timing of widespread commercialization for various categories of applications This report presents the results of the intensive activity initiated by the June 1989 meeting to produce a white paper on renewable energy. Scores of scientists, analysts, and engineers in the five core laboratories gave generously of their time over the past eight months to produce this document. Their generous, constructive efforts are hereby gratefully acknowledged. 126 refs., 44 figs., 32 tabs.
High energy proton-proton elastic scattering at the Large Hadron Collider and nucleon structure
NASA Astrophysics Data System (ADS)
Luddy, Richard Joseph
To gain insight into the structure of the nucleon, we pursue the development of the phenomenological model of Islam et al. (IIFS model) for high energy elastic pp and p¯p scattering. We determine the energy dependence of the parameters of the IIFS model using the available elastic differential cross section data from SPS Collider and Tevatron and the known asymptotic behavior of sigmatot (s) and rho(s) from dispersion relation calculations and more recent analyses of Cudell et al. (COMPETE Collaboration). Next, we incorporate a high energy elastic valence quark-quark scattering amplitude into the model based on BFKL pomeron to describe small impact parameter (large | t|) pp collisions. Finally, we predict the pp elastic differential cross section at the unprecedented c.m. energy of s = 14.0 TeV at the Large Hadron Collider (LHC). This prediction assumes crucial significance---because of an approved experiment at LHC: TOTal and Elastic Measurement (TOTEM). The TOTEM group plans to measure pp elastic dsigma/dt at 14.0 TeV all the way from momentum transfer |t| = 0 to |t| ≃ 10 GeV 2. Their measurement will stringently test not only the diffraction and o-exchange descriptions of the original IIFS model, but also the additional valence quark-quark scattering contribution that we find to be dominant for large |t|. Successful quantitative verification of the predicted dsigma/dt will mean that our picture of the nucleon with an outer cloud of qq¯ condensed ground state, an inner core of topological baryonic charge, and a still smaller core of massless valence quarks provides a realistic description of nucleon structure.
Importance of the energy-dependent geometry in the 16O+ 16O optical model potential
NASA Astrophysics Data System (ADS)
Pantis, G.; Ioannidis, K.; Poirier, P.
1985-08-01
Optical model potentials with various forms of energy-dependent geometry have been considered for the description of 16O+ 16O elastic scattering. It is shown that the variation with energy of the imaginary radius leads to a reasonable fit of the cross-section data, throughout the energy range.
Spin correlation parameter and analyzing power in n - p elastic scattering at intermediate energies
Bandyopadhyay, D. ); Abegg, R.; Ahmad, M.; Birchall, J.; Chantziantoniou, K.; Davis, C.A.; Davison, N.E.; Delheij, P.P.J.; Green, P.W.; Greeniaus, L.G.; Healey, D.C.; Lapointe, C.; McDonald, W.J.; Miller, C.A.; Moss, G.A.; Page, S.A.; Ramsay, W.D.; Rodning, N.L.; Roy, G.; van Oers, W.T.H.; Wait, G.D.; Watson, J.W.; Ye, Y.
1989-12-01
In order to improve existing {ital I}=0 phase shift solutions, the spin correlation parameter {ital A}{sub {ital NN}} and the analyzing powers {ital A}{sub 0{ital N}} and {ital A}{sub {ital N}0} have been measured in {ital n}-{ital p} elastic scattering over an angular range of 50{degree}--150{degree} (c.m.) at three neutron energies (220, 325, and 425 MeV) to an absolute accuracy of {plus minus}0.03. The data have a profound effect on various phase parameters, particularly the {sup 1}P{sub 1}, {sup 3}D{sub 2}, and {epsilon}{sub 1} phase parameters which in some cases change by almost a degree. With the exception of the highest energy, the data support the predictions of the latest version of the Bonn potential. Also, the analyzing power data ({ital A}{sub 0{ital N}} and {ital A}{sub {ital N}0}) measured at 477 MeV in a different experiment over a limited angular range (60{degree}--80{degree} (c.m.)) are reported here.
Mass calibration of the energy axis in ToF-E elastic recoil detection analysis
NASA Astrophysics Data System (ADS)
Meersschaut, J.; Laricchiuta, G.; Sajavaara, T.; Vandervorst, W.
2016-03-01
We report on procedures that we have developed to mass-calibrate the energy axis of ToF-E histograms in elastic recoil detection analysis. The obtained calibration parameters allow one to transform the ToF-E histogram into a calibrated ToF-M histogram.
Structure of elastic p-p scattering at low and high energies
NASA Astrophysics Data System (ADS)
Arash, Firooz; Moravcsick, Michael J.; Goldstein, Gary R.
1985-02-01
It is observed that p-p elastic scattering at 90° between 0.3 and 1.0 GeV is described by planar-transverse amplitude of which two are equal in magnitude and one is about three times larger in magnitude. This feature, extrapolated to much higher energies, is used to predict p-p polarization quantities, in part by itself, in part in combination with the extension of another, previously observed feature of planar-transverse amplitudes. Comparison with existing data is favorable. Predictions are then made for other, yet unmeasured but readily measurable polarization quantities for p-p elastic scattering.
Energy dissipation in heavy systems: the transition from quasi-elastic to deep-inelastic scattering
Rehm, K.E.; van den Berg, A.; Kolata, J.J.; Kovar, D.G.; Kutschera, W.; Rosner, G.; Stephans, G.S.F.; Yntema, J.L.; Lee, L.L.
1984-01-01
The interaction of medium mass projectiles (A = 28 - 64) with /sup 208/Pb has been studied using a split-pole spectrograph which allows single mass and charge identification. The reaction process in all systems studied so far is dominated by quasi-elastic neutron transfer reactions, especially at incident energies in the vicinity of the Coulomb barrier. In addition to the quasi-elastic component deep inelastic contributions are present in all reaction channels. The good mass and charge separation allows to generate Wilczynski plots for individual channels; for the system /sup 48/Ti + /sup 208/Pb we observe that the transition between the quasi-elastic and deep-inelastic reactions occurs around Q = -(30 to 35) MeV.
Elastic Scattering Of {sup 6,7}Li+{sup 80}Se At Near And Above Barrier Energies
Fimiani, L.; Marti, G. V.; Capurro, O. A.; Barbara, E. de; Testoni, J. E.; Zalazar, L.; Arazi, A.; Cardona, M. A.; Carnelli, P.; Figueira, J. M.; Hojman, D.; Martinez Heimann, D.; Negri, A. E.; Pacheco, A. J.; Fernandez Niello, J. O.
2010-08-04
In this work we propose to study the elastic scattering of the weakly bound projectiles {sup 6,7}Li on an intermediate mass target {sup 80}Se. From the experimental results presented here, precise angular distributions at energies below, around and above the nominal Coulomb barriers of the systems were obtained. The final goal of our work is to determine the characteristic parameters of the optical potential and use them to address the question of whether the usual threshold anomaly or the breakup threshold anomaly are present or not in these systems.
Wu, Tai Tsun.
1990-01-01
This is a brief review of the progress in the understanding, during the past twenty years, of hadronic elastic scattering near the forward direction at high energies. On the basis of quantum gauge field theories, the Pomeron is found to be a branch cut above 1. Using the physical picture that this result implies, phenomenology for proton-proton and antiproton-proton elastic scattering is constructed. Two noteworthy features are that, at high energies, both the total cross section and the ratio of the integrated elastic cross section to the total cross section to the total cross section are increasing functions of the center-of-mass energy. Detailed predictions are given for the elastic differential cross sections, Coulomb interference and the ratios of the real to imaginary parts of the forward amplitudes. These predictions have been extensively and accurately confirmed by experiments, and have also been given both for future experiments on existing accelerators and for experiments on future accelerators. 14 refs., 2 figs.
Wu, Tai Tsun
1990-12-31
This is a brief review of the progress in the understanding, during the past twenty years, of hadronic elastic scattering near the forward direction at high energies. On the basis of quantum gauge field theories, the Pomeron is found to be a branch cut above 1. Using the physical picture that this result implies, phenomenology for proton-proton and antiproton-proton elastic scattering is constructed. Two noteworthy features are that, at high energies, both the total cross section and the ratio of the integrated elastic cross section to the total cross section to the total cross section are increasing functions of the center-of-mass energy. Detailed predictions are given for the elastic differential cross sections, Coulomb interference and the ratios of the real to imaginary parts of the forward amplitudes. These predictions have been extensively and accurately confirmed by experiments, and have also been given both for future experiments on existing accelerators and for experiments on future accelerators. 14 refs., 2 figs.
NASA Astrophysics Data System (ADS)
Henann, David; Wang, Yuhao
Surface energy is an important factor in the deformation of fluids but is typically a minimal or negligible effect in solids. However, when a solid is soft and its characteristic dimension is small, forces due to surface energy can become important and induce significant elastic deformation. The interplay between surface energy and elasticity can lead to interesting elasto-capillary phenomena. We have developed a finite-element formulation for problems involving these effects in both 2D and 3D settings and will demonstrate the simulation capability by examining two elasto-capillary problems. (1) The Rayleigh-Plateau instability in an elastic material - In a fluid, this instability causes fluid jets to break up into droplets; however, as shown in recent experiments (Mora et al., PRL, 2010), break-up is prohibited in an elastic material, resulting in a stable undulatory configuration. (2) The effect of fluid-filled droplet inclusions on a soft solid - When the matrix material is stiff, the presence of fluid-filled inclusions leads to a more compliant composite material; however, recent experiments (Style, et al., Nature Physics, 2014) have shown that when the matrix material is more compliant, the presence of droplets leads to stiffening. In this talk, we will show that our simulation capability predicts all experimentally observed phenomena and provides a straightforward route for describing nonlinear aspects of elasto-capillarity, which are difficult to address via analytics.
GPDs of the nucleons and elastic scattering at high energies
NASA Astrophysics Data System (ADS)
Selyugin, O. V.
2012-07-01
Taking into account the electromagnetic and gravitational form factors, calculated from a new set of t-dependent GPDs, a new model is built. The real part of the hadronic amplitude is determined only through complex s. In the framework of this model the quantitative description of all existing experimental data at 52.8 ≤sqrt{s} ≤ 1960 GeV, including the Coulomb range and large momentum transfers (0.0008≤| t|≤9.75 GeV2), is obtained with only three fitting high energy parameters. The comparison with the preliminary data of the TOTEM Collaboration at an energy of 7 TeV is made.
Bolanos, J.A.; Longstreth, D.J.
1984-06-01
Pressure volume curves for Alternanthera philoxeroides (Mart.) Grixeb. (alligator weed) grown in 0 to 400 millimolar NaCl were used to determine water potential (PSI), osmotic potential (psi/sub s/), turgor potential (psi/sub p/) and the bulk elastic modulus (element of) of shoots at different tissue water contents. Values of psi decreased with increasing salinity and tissue PSI was always lower than rhizosphere PSI. The relationship between psi/sub p/ and tissue water content changed because element of increased with salinity. As a results, salt-stressed plants had larger ranges of positive turgor but smaller ranges of tissue water content over which psi/sub p/ was positive. To our knowledge, this is the first report of such a salinity effect on element of in higher plants. These increases in element of with salinity provided a mechanism by which a large difference between plant PSI and rhizosphere PSI, the driving force for water uptake, could be produced with relatively little water loss by the plant. A time-course study of response after salinization to 400 millimolar NaCl showed PSI was constant with 1 day, psi/sub s/ and psi/sub p/ continued to change for 2 to 4 days, and element of continued to change for 4 to 12 days. Changes in element of modified the capacity of alligator weed to maintain a positive water balance and consideration of such changes in other species of higher plants should improve our understanding of salt stress. 24 references, 6 figures.
Li, Z. P.; Hillhouse, G. C.; Meng, J.
2008-07-15
We present the first study to examine the validity of the relativistic impulse approximation (RIA) for describing elastic proton-nucleus scattering at incident laboratory kinetic energies lower than 200 MeV. For simplicity we choose a {sup 208}Pb target, which is a spin-saturated spherical nucleus for which reliable nuclear structure models exist. Microscopic scalar and vector optical potentials are generated by folding invariant scalar and vector scattering nucleon-nucleon (NN) amplitudes, based on our recently developed relativistic meson-exchange model, with Lorentz scalar and vector densities resulting from the accurately calibrated PK1 relativistic mean field model of nuclear structure. It is seen that phenomenological Pauli blocking (PB) effects and density-dependent corrections to {sigma}N and {omega}N meson-nucleon coupling constants modify the RIA microscopic scalar and vector optical potentials so as to provide a consistent and quantitative description of all elastic scattering observables, namely, total reaction cross sections, differential cross sections, analyzing powers and spin rotation functions. In particular, the effect of PB becomes more significant at energies lower than 200 MeV, whereas phenomenological density-dependent corrections to the NN interaction also play an increasingly important role at energies lower than 100 MeV.
Non-resonant elastic scattering of low-energy photons by atomic sodium confined in quantum plasmas
Ghosh, Avijit Ray, Debasis
2015-03-15
The non-resonant elastic scattering of low-energy photons by the bound valence electron in the ground state 3s of atomic sodium confined in quantum plasmas is investigated theoretically. The incident photon energy is assumed to be much smaller than the 3s-3p excitation energy. The alkali atom sodium is first formulated as an effective one-electron problem in which the attractive interaction between the valence electron and the atomic ion core is simulated by a spherically symmetric model potential. The Shukla-Eliasson oscillatory exponential cosine screened-Coulomb potential model is then used to mimic the effective two-body (valence-core) interaction within quantum plasmas. Non-relativistic calculations performed within the electric dipole approximation indicate that the non-resonant elastic photon scattering cross-section undergoes a dramatic growth by several orders of magnitude as the quantum wave number increases. A qualitative explanation of this phenomenon is presented. In the absence of the oscillatory cosine screening term, a similar growth is observed at larger values of the quantum wave number. Our computed relevant atomic data are in very good agreement with the experimental as well as the previous theoretical data for the zero-screening (free atom) case, and with the very limited, accurate theoretical results available for the case of exponential screened-Coulomb two-body interaction, without the cosine screening term.
Ni, Yilu; Tang, Zhurong; Cao, Wanxu; Lin, Hai; Fan, Yujiang; Guo, Likun; Zhang, Xingdong
2015-03-01
Natural polysaccharides are extensively investigated as cell scaffold materials for cellular adhesion, proliferation, and differentiation due to their excellent biocompatibility, biodegradability, and biofunctions. However, their application is often severely limited by their mechanical behavior. In this study, a tough and elastic hydrogel scaffold was prepared with hyaluronic acid (HA) and chondroitin sulfate (CS). HA and CS were conjugated with tyramine (TA) and the degree of substitution (DS) was 10.7% and 11.3%, respectively, as calculated by (1)H NMR spectra. The hydrogel was prepared by mixing HA-TA and CS-TA in presence of H2O2 and HRP. The sectional morphology of hydrogels was observed by SEM, static and dynamic mechanical properties were analyzed by Shimadzu electromechanical testing machine and dynamic mechanical thermal analyzer Q800. All samples showed good ability to recover their appearances after deformation, the storage modulus (E') of hydrogels became higher as the testing frequency went up. Hydrogels also showed fatigue resistance to cyclic compression. Mesenchymal stem cells encapsulated in hydrogels showed good cell viability as detected by CLSM. This study suggests that the hydrogels have both good mechanical properties and biocompatibility, and may serve as model systems to explore mechanisms of deformation and energy dissipation or find some applications in tissue engineering. PMID:25445680
Elastic Scattering of Low-Energy Electrons byTetrahydrofuran
Trevisan, Cynthia S.; Orel, Ann E.; Rescigno, Thomas N.
2006-05-09
We present the results of ab initio calculations for elasticelectron scattering by tetrahydrofuran (THF) using the complex Kohnvariational method. We carried out fixed-nuclei calculations at theequilibrium geometry of the target molecule for incident electronenergies up to 20 eV. The calculated momentum transfer cross sectionsclearly reveal the presence of broad shape resonance behavior in the 8-10eV energy range, in agreement with recent experiments. The calculateddifferential cross sections at 20 eV, which include the effects of thelong-range electron-dipole interaction, are alsofound to be in agreementwith the most recent experimental findings.
Magneto-elastic artificial neurons with extremely low energy dissipation
NASA Astrophysics Data System (ADS)
Biswas, Ayan K.; Al-Rashid, Md Mamun; Atulasimha, Jayasimha; Bandyopadhyay, Supriyo
2015-03-01
We present a detailed analysis of artificial step transfer function neurons and binary weight synapses implemented with magneto-tunneling junctions whose soft layers are magnetostrictive nanomagnets switched with voltage generated mechanical strain. These devices are more energy-efficient than CMOS-based neurons or so-called spin neurons that are based on magnets switched with spin-polarized current. We studied their switching dynamics using stochastic Landau-Lifshitz-Gilbert simulations for two different geometries (elliptical and cylindrical) of the magnetostrictive nanomagnet. Our study revealed that while the step transition (firing) of the magnetic neuron is always very sharp at 0 K, the threshold is significantly broadened at room temperature, regardless of geometry and regardless of whether the magnet is switched with strain or spin-polarized current. While this could preclude some applications, the extreme energy-efficiency of these neurons makes them nearly ideal for use in certain types of neuromorphic computation. This work is supported by the NSF under grant ECCS-1124714 and CCF-1216614.
Elastic electron scattering in krypton in the energy range from 5 to 10 eV
Linert, Ireneusz; Mielewska, Brygida; Zubek, Mariusz; King, George C.
2010-01-15
Differential cross sections for elastic electron scattering in krypton have been measured at the energies of 5,7.5, and 10 eV over the scattering angle range from 30 deg. to 180 deg. The measurements for backward scattering employed the magnetic angle-changing technique. These differential cross sections have been integrated to yield the elastic integral and momentum transfer cross sections at the above energies. These new results are compared with the most recent measurements and calculations of the respective cross sections in krypton. The dependence of the differential cross sections on atomic polarizability of the heavier rare gas atoms argon, krypton, and xenon has also been investigated over the electron energy range 5-30 eV and for forward, backward, and intermediate scattering angles.
Elastic scattering of positrons on mercury: A negative-energy Dirac-Fock treatment
Sienkiewicz, J.E.; Baylis, W.E. )
1991-02-01
In a new extension of the Dirac-Fock method, calculations have been performed on the 80 electrons of mercury (in 22 {ital nlj} orbitals) plus one continuum electron of negative energy less than {minus}{ital mc}{sup 2}. The asymptotic form of the numerical wave function of the negative-energy electron determines the phase shifts for the elastic scattering of positrons on Hg. The self-consistent-field calculations include the usual exchange interaction between electrons. The exchange between the bound Hg electrons and the negative-energy continuum electron represents the positron-electron annihilation-creation process. Such effects are usually computed in quantum electrodynamics to some order of approximation in a perturbation expansion. We believe ours is the first Dirac-Fock calculation of this effect, but we find its influence on the elastic positron scattering to be negligible.
Application of the pair torque interaction potential to simulate the elastic behavior of SLMoS2
NASA Astrophysics Data System (ADS)
Berinskii, I. E.; Panchenko, A. Yu; Podolskaya, E. A.
2016-05-01
This paper is devoted to the application of the pair torque interaction potential for the simulation of the elastic behavior of a promising two-dimensional material: single layer molybdenium disulphide (SLMoS2). It is demonstrated that both Mo-Mo and S-S interactions can be regarded as pair force interactions with sufficient accuracy. Using both experimental and calculated numerically elastic moduli, and also the phonon spectrum available in the literature, the parameters of the Morse potential are determined for Mo-Mo and S-S bonds, and the parameters of the pair torque potential are obtained for the Mo-S bond. As a result, a combination of force and torque pair potentials is proposed, which allows for the correct modelling of SLMoS2 mechanical behavior.
Bauchy, M.
2014-07-14
We study a calcium aluminosilicate glass of composition (SiO{sub 2}){sub 0.60}(Al{sub 2}O{sub 3}){sub 0.10}(CaO){sub 0.30} by means of molecular dynamics. To this end, we conduct parallel simulations, following a consistent methodology, but using three different potentials. Structural and elastic properties are analyzed and compared to available experimental data. This allows assessing the respective abilities of the potentials to produce a realistic glass. We report that, although all these potentials offer a reasonable glass structure, featuring tricluster oxygen atoms, their respective vibrational and elastic predictions differ. This allows us to draw some general conclusions about the crucial role, or otherwise, of the interaction potential in silicate systems.
Stored energy in metallic glasses due to strains within the elastic limit
NASA Astrophysics Data System (ADS)
Greer, A. L.; Sun, Y. H.
2016-06-01
Room temperature loading of metallic glasses, at stresses below the macroscopic yield stress, raises their enthalpy and causes creep. Thermal cycling of metallic glasses between room temperature and 77 K also raises their enthalpy. In both cases, the enthalpy increases are comparable to those induced by heavy plastic deformation, but, as we show, the origins must be quite different. For plastic deformation, the enthalpy increase is a fraction (<10%) of the work done (WD) (and, in this sense, the behaviour is similar to that of conventional polycrystalline metals and alloys). In contrast, the room temperature creep and the thermal cycling involve small strains well within the elastic limit; in these cases, the enthalpy increase in the glass exceeds the WD, by as much as three orders of magnitude. We argue that the increased enthalpy can arise only from an endothermic disordering process drawing heat from the surroundings. We examine the mechanisms of this process. The increased enthalpy ('stored energy') is a measure of rejuvenation and appears as an exothermic heat of relaxation on heating the glass. The profile of this heat release (the 'relaxation spectrum') is analysed for several metallic glasses subjected to various treatments. Thus, the effects of the small-strain processing (creep and thermal cycling) can be better understood, and we can explore the potential for improving properties, in particular the plasticity, of metallic glasses. Metallic glasses can exhibit a wide range of enthalpy at a given temperature, and small-strain processing may assist in accessing this for practical purposes.
NASA Astrophysics Data System (ADS)
Msezane, A. Z.; Eure, A.; Felfli, Z.; Sokolovski, D.
2009-11-01
The recent Regge-pole methodology has been benchmarked [1] on the accurately measured binding energies of the excited Ge= and Sn= anions [2] through the binding energies (BEs) extracted from the Regge-pole calculated elastic total cross sections (TCSs). Here the methodology is applied together with a Thomas-Fermi type potential that incorporates the vital core polarization interaction to investigate the possibility of forming excited Au= and Pt= anions in low-energy electron elastic collisions with Au and Pt atoms. From the positions of the characteristic extremely narrow resonances in the total cross sections, we extract the binding energies of the excited Au= and Pt= anions formed as Regge resonances during the collisions. The angular life of the complexes thus formed is used to differentiate the stable excited bound states of the anions from the shape resonances [3]. The BEs for the excited Au= and Pt= anions are found to be 0.475eVand 0.543eV, respectively, challenging both theory and experiment to verify. [1] A. Msezane et al, Phys. Rev. A, Submitted (2009) [2] M. Scheer et al, Phys. Rev. A 58, 2844 (1998) [3] Z. Felfli et al, Phys. Rev. A 79, 012714 (2009)
Incorporating elastic and plastic work rates into energy balance for long-term tectonic modeling
NASA Astrophysics Data System (ADS)
Ahamed, M. S.; Choi, E.
2014-12-01
Deformation-related energy budget is usually considered in the simplest form or even completely omitted from the energy balance equation. We derive an energy balance equation that accounts not only for heat energy but also for elastic and plastic work. Such a general description of the energy balance principle will be useful for modeling complicated interactions between geodynamic processes such as thermoelastisity, thermoplasticity and mechanical consequences of metamorphism. Following the theory of large deformation plasticity, we start from the assumption that Gibbs free energy (g) is a function of temperature (T), the second Piola-Kirchhoff stress (S), density (ρ) and internal variables (qj, j=1…n). In this formulation, new terms are derived, which are related to the energy dissipated through plastic work and the elastically stored energy that are not seen in the usual form of the energy balance equation used in geodynamics. We then simplify the generic equation to one involving more familiar quantities such as Cauchy stress and material density assuming that the small deformation formulation holds for our applications. The simplified evolution equation for temperature is implemented in DyanEarthSol3D, an unstructured finite element solver for long-term tectonic deformation. We calculate each of the newly derived terms separately in simple settings and compare the numerical results with a corresponding analytic solution. We also present the effects of the new energy balance on the evolution of a large offset normal fault.
Elastic scattering at 7 TeV and high-energy cross section for cosmic ray studies
NASA Astrophysics Data System (ADS)
Wibig, T.
2012-08-01
The recent measurements of the elastic cross section by the TOTEM Collaboration together with the first estimations of the inelastic cross sections by other LHC detectors are used to test the simplest version of the geometrical model of the proton-proton scattering. We show that the description found for lower energy data, with the modest adjustment of the model parameter extrapolation, could be, in principle, used to describe the LHC measurement and to predict the cross sections in very high energy cosmic ray domain. However, the shape of the first elastic dip in the elastic differential scattering cross section suggests that the ratio of the real to the imaginary part of the elastic amplitude falls rather fast and the analysis of the elastic cross-section fraction suggests that the geometrical picture and scaling of the proton-proton collision should be modified when entering the ultrahigh-energy domain.
An energy absorbing far-field boundary condition for the elastic wave equation
Petersson, N A; Sjogreen, B
2008-07-15
The authors present an energy absorbing non-reflecting boundary condition of Clayton-Engquist type for the elastic wave equation together with a discretization which is stable for any ratio of compressional to shear wave speed. They prove stability for a second order accurate finite-difference discretization of the elastic wave equation in three space dimensions together with a discretization of the proposed non-reflecting boundary condition. The stability proof is based on a discrete energy estimate and is valid for heterogeneous materials. The proof includes all six boundaries of the computational domain where special discretizations are needed at the edges and corners. The stability proof holds also when a free surface boundary condition is imposed on some sides of the computational domain.
Low-energy electron elastic scattering from Mn, Cu, Zn, Ni, Ag, and Cd atoms
Felfli, Z.; Msezane, A. Z.; Sokolovski, D.
2011-05-15
Electron elastic total cross sections (TCSs) for ground and excited Mn, Cu, Zn, Ni, Ag, and Cd atoms have been investigated in the electron-impact energy range 0 {<=}E{<=} 1 eV. The near-threshold TCSs for both the ground and excited states of these atoms are found to be characterized by Ramsauer-Townsend minima, shape resonances, and extremely sharp resonances corresponding to the formation of stable bound negative ions. The recently developed Regge-pole methodology where the crucial electron-electron correlations are embedded is employed for the calculations. From close scrutiny of the imaginary parts of the complex angular momenta, we conclude that these atoms form stable weakly bound ground and excited negative ions as Regge resonances through slow electron collisions. The extracted electron binding energies from the elastic TCSs of these atoms are contrasted with the available experimental and theoretical values.
Zarkadoula, Eva; Xue, Haizhou; Zhang, Yanwen; Weber, William J.
2015-06-16
A combination of an inelastic thermal spike model suitable for insulators and molecular dynamics simulations is used to study the effects of temperature and electronic energy loss on ion track formation, size and morphology in SrTiO3 systems with pre-existing disorder. We find temperature dependence of the ion track size. In addition, we find a threshold in the electronic energy loss for a given pre-existing defect concentration, which indicates a threshold in the synergy between the inelastic and elastic energy loss.
NASA Astrophysics Data System (ADS)
Deur, Alexandre
1999-10-01
The Jefferson Lab beam energy measurement in Hall A using the elastic ep scattering will be described. This new, non-magnetic, energy measurement method allows a ( triangle E/E=10-4 ) precision. First-order corrections are canceled by the measurements of the electron and proton scattering angles for two symmetric kinematics. The measurement principle will be presented as well as the device and measurement results. Comparison with independent magnetic energy measurements of the same accuracy will be shown. This project is the result of a collaboration between the LPC: université Blaise Pascal/in2p3), Saclay and Jefferson Lab.
Zarkadoula, Eva; Xue, Haizhou; Zhang, Yanwen; Weber, William J.
2015-06-16
A combination of an inelastic thermal spike model suitable for insulators and molecular dynamics simulations is used to study the effects of temperature and electronic energy loss on ion track formation, size and morphology in SrTiO_{3} systems with pre-existing disorder. We find temperature dependence of the ion track size. In addition, we find a threshold in the electronic energy loss for a given pre-existing defect concentration, which indicates a threshold in the synergy between the inelastic and elastic energy loss.
Isometric immersions, energy minimization and self-similar buckling in non-Euclidean elastic sheets
NASA Astrophysics Data System (ADS)
Gemmer, John; Sharon, Eran; Shearman, Toby; Venkataramani, Shankar C.
2016-04-01
The edges of torn plastic sheets and growing leaves often display hierarchical buckling patterns. We show that this complex morphology i) emerges even in zero strain configurations, and ii) is driven by a competition between the two principal curvatures, rather than between bending and stretching. We identify the key role of branch point (or “monkey saddle”) singularities in generating complex wrinkling patterns in isometric immersions, and show how they arise naturally from minimizing the elastic energy.
Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage.
Peng, Qing; De, Suvranu
2013-11-28
The structural and mechanical properties of graphene-like honeycomb monolayer structures of MoS2 (g-MoS2) under various large strains are investigated using density functional theory (DFT). g-MoS2 is mechanically stable and can sustain extra large strains: the ultimate strains are 0.24, 0.37, and 0.26 for armchair, zigzag, and biaxial deformation, respectively. The in-plane stiffness is as high as 120 N m(-1) (184 GPa equivalently). The third, fourth, and fifth order elastic constants are indispensable for accurate modeling of the mechanical properties under strains larger than 0.04, 0.07, and 0.13 respectively. The second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure while the Poisson ratio monotonically decreases with increasing pressure. With the prominent mechanical properties including large ultimate strains and in-plane stiffness, g-MoS2 is a promising candidate of elastic energy storage for clean energy. It possesses a theoretical energy storage capacity as high as 8.8 MJ L(-1) and 1.7 MJ kg(-1), or 476 W h kg(-1), larger than a Li-ion battery and is environmentally friendly. PMID:24126736
Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage
NASA Astrophysics Data System (ADS)
Peng, Qing; de, Suvranu
2014-03-01
The structural and mechanical properties of graphene-like honeycomb monolayer structures of MoS2(g-MoS2) under various large strains are investigated using density functional theory (DFT). g-MoS2 is mechanically stable and can sustain extra large strains: the ultimate strains are 0.24, 0.37, and 0.26 for armchair, zigzag, and biaxial deformation, respectively. The in-plane stiffness is as high as 120 N/m (184 GPa equivalently). The third, fourth, and fifth order elastic constants are indispensable for accurate modeling of the mechanical properties under strains larger than 0.04, 0.07, and 0.13 respectively. The second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure while the Poisson ratio monotonically decreases with increasing pressure. With the prominent mechanical properties including large ultimate strains and in-plane stiffness, g-MoS2 is a promising candidate of elastic energy storage for clean energy. It possesses a theoretical energy storage capacity as high as 8.8 MJ/L and 1.7 MJ/kg, or 476 Wh/kg, larger than a Li-ion battery and is environmentally friendly. Financial support from the Defence Threat Reduction Agency (DTRA) Grant # BRBAA08-C-2-0130 and.
Elastic scattering of 17O+208Pb at energies near the Coulomb barrier
NASA Astrophysics Data System (ADS)
Torresi, D.; Strano, E.; Mazzocco, M.; Boiano, A.; Boiano, C.; Di Meo, P.; La Commara, M.; Manea, C.; Nicoletto, M.; Grebosz, J.; Guglielmetti, A.; Molini, P.; Parascandolo, C.; Pierroutsakou, D.; Signorini, C.; Soramel, F.; Toniolo, N.; Filipescu, D.; Gheorghe, A.; Glodariu, T.; Jeong, S.; Kim, Y. H.; Lay, J. A.; Miyatake, H.; Pakou, A.; Sgouros, O.; Soukeras, V.; Stroe, L.; Vitturi, A.; Watanabe, Y.; Zerva, K.
2016-05-01
Within the frame of the commissioning of a new experimental apparatus EXPADES we undertook the measurement of the elastic scattering angular distribution for the system 17O+208Pb at energy around the Coulomb barrier. The reaction dynamics induced by loosely bound Radioactive Ion Beams is currently being extensively studied [4]. In particular the study of the elastic scattering process allows to obtain direct information on the total reaction cross section of the exotic nuclei. In order to understand the effect of the low binding energy on the reaction mechanism it is important to compare radioactive weakly bound nuclei with stable strongly-bound nuclei. In this framework the study of the 17O+208Pb elastic scattering can be considered to be complementary to a previous measurement of the total reaction cross section for the system 17F+208Pb at energies of 86, 90.4 MeV [5, 6]. The data will be compared with those obtained for the neighboring systems 16,18O+208Pb and others available in literature.
Pole structure from energy-dependent and single-energy fits to GWU-SAID π N elastic scattering data
NASA Astrophysics Data System (ADS)
Švarc, Alfred; Hadžimehmedović, Mirza; Osmanović, Hedim; Stahov, Jugoslav; Workman, Ron L.
2015-01-01
The pole structure of the current George Washington University (GWU-SAID) partial-wave analysis of elastic π N scattering and η N production data is studied. Pole positions and residues are extracted from both the energy-dependent and single-energy fits, using two different methods. For the energy-dependent fits, both contour integration and a Laurent + Pietarinen approach are used. In the case of single-energy fits, the Laurent+Pietarinen approach is used. Errors are estimated and the two sets of results are compared to other fits to data.
Ab Initio Potential Energy Surface for H-H2
NASA Technical Reports Server (NTRS)
Patridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene
1993-01-01
Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- 3 micro E(h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces (25-70 kcal/mol above the H-H2 asymptote) at small interatomic separations; the Boothroyd, Keogh, Martin, and Peterson (BKMP) potential energy surface is found to agree with results of the present calculations within the expected uncertainty (+/- 1 kcal/mol) of the fit. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(0)) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.
Synergy of elastic and inelastic energy loss on ion track formation in SrTiO₃.
Weber, William J; Zarkadoula, Eva; Pakarinen, Olli H; Sachan, Ritesh; Chisholm, Matthew F; Liu, Peng; Xue, Haizhou; Jin, Ke; Zhang, Yanwen
2015-01-01
While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontium titanate (SrTiO₃), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties. PMID:25578009
Elastic scattering for the system {sup 6}Li+p at near barrier energies with MAGNEX
Soukeras, V.; Pakou, A.; Sgouros, O.; Cappuzzello, F.; Bondi, M.; Nicolosi, D.; Acosta, L.; Marquinez-Duran, G.; Martel, I.; Agodi, C.; Carbone, D.; Cavallaro, M.; Cunsolo, A.; Di Pietro, A.; Fernández-García, J. P.; Figuera, P.; Fisichella, M.; Alamanos, N.; De Napoli, M.; Foti, A.; and others
2015-02-24
Elastic scattering measurements have been performed for the {sup 6}Li+p system in inverse kinematics at the energies of 16, 20, 25 and 29 MeV. The heavy ejectile was detected by the large acceptance MAGNEX spectrometer at the Laboratori Nazionali del Sud (LNS) in Catania, in the angular range between ∼2{sup 0} and 12{sup 0} in the laboratory system, giving us the possibility to span almost a full angular range in the center of mass system. Results will be presented and discussed for one of the energies.
NASA Astrophysics Data System (ADS)
Takaoka, Masanori; Yokoyama, Naoto
2015-01-01
The real-space dynamics and the nonlinear interactions among Fourier modes in elastic wave turbulence are investigated by simulating the Foppl-von Karman equation. We find that the bundle structures of ridges appear intermittently in the time evolution of the stretching energy field. The time-evolution of the nonlinearity indicates the existence of active and moderate phases in turbulent state. Conditional sampling analysis reveals that the bundle structure, which is the embodiment of the strong nonlinear interactions among modes, induces the energy supply from an external force to the system.
Low-energy photodetachment of Ga- and elastic electron scattering from neutral Ga
NASA Astrophysics Data System (ADS)
Wang, Kedong; Zatsarinny, Oleg; Bartschat, Klaus
2016-08-01
We present a comprehensive study of the photodetachment of the negative gallium ion and elastic electron scattering from neutral Ga for photon and electron energies ranging from threshold to 12 eV. The calculations are carried out with the B -spline R -matrix method. A multiconfiguration Hartree-Fock method with nonorthogonal term-dependent orbitals is employed to generate accurate initial- and final-state wave functions. The close-coupling expansions include the 4 s 24 p n l (k l ) bound and continuum states of Ga and the 4 s -excited autoionizing states 4 s 4 p2 . The calculated photodetachment and elastic cross sections exhibit prominent resonance features. In order to clarify the origin of these resonances, the contributions of the major ionization channels to the partial cross sections are analyzed in detail.
K--Nucleus Elastic Scattering at IntermediateEnergies in the Isobar-Doorway Model
NASA Astrophysics Data System (ADS)
Toyama, F. M.
1983-11-01
The differential cross sections for the K--nucleus elastic scattering at about PK = 800 MeV/c are calculated in the phenomenological isobar-doorway model. The many-body corrections on Y* resonances in nuclei are represented by the resonance energy shift Δ E and width-modification factor β. The parametrizations given by Gopal et al. are used for the resonance amplitudes. The effects of Δ E and β on the cross sections are investigated in detail. The results are compared with the available experimental data for the K- elastic scattering on 12C and 40Ca at PK = 800 MeV/c. The calculated cross sections are in good agreement with the data. However, the cross sections are not very sensitive to Δ E and β.
Geothermal Energy: Tapping the Potential
ERIC Educational Resources Information Center
Johnson, Bill
2008-01-01
Ground source geothermal energy enables one to tap into the earth's stored renewable energy for heating and cooling facilities. Proper application of ground-source geothermal technology can have a dramatic impact on the efficiency and financial performance of building energy utilization (30%+). At the same time, using this alternative energy…
Energy functions for rubber from microscopic potentials
NASA Astrophysics Data System (ADS)
Johal, A. S.; Dunstan, D. J.
2007-04-01
The finite deformation theory of rubber and related materials is based on energy functions that describe the macroscopic response of these materials under deformation. Energy functions and elastic constants are here derived from a simple microscopic (ball-and-spring) model. Exact uniaxial force-extension relationships are given for Hooke's Law and for the thermodynamic entropy-based microscopic model using the Gaussian and the inverse Langevin statistical approximations. Methods are given for finding the energy functions as expansions of tensor invariants of deformation, with exact solutions for functions that can be expressed as expansions in even powers of the extension. Comparison with experiment shows good agreement with the neo-Hookean energy function and we show how this derives directly from the simple Gaussian statistical model with a small modification.
Radius exponent in elastic and rigid arterial models optimized by the least energy principle
Nakamura, Yoshihiro; Awa, Shoichi
2014-01-01
Abstract It was analyzed in normal physiological arteries whether the least energy principle would suffice to account for the radius exponent x. The mammalian arterial system was modeled as two types, the elastic or the rigid, to which Bernoulli's and Hagen‐Poiseuille's equations were applied, respectively. We minimized the total energy function E, which was defined as the sum of kinetic, pressure, metabolic and thermal energies, and loss of each per unit time in a single artery transporting viscous incompressible blood. Assuming a scaling exponent α between the vessel radius (r) and length (l) to be 1.0, x resulted in 2.33 in the elastic model. The rigid model provided a continuously changing x from 2.33 to 3.0, which corresponded to Uylings’ and Murray's theories, respectively, through a function combining Reynolds number with a proportional coefficient of the l − r relationship. These results were expanded to an asymmetric arterial fractal tree with the blood flow preservation rule. While x in the optimal elastic model accounted for around 2.3 in proximal systemic (r >1 mm) and whole pulmonary arteries (r ≥0.004 mm), optimal x in the rigid model explained 2.7 in elastic‐muscular (0.1 < r ≤1 mm) and 3.0 in peripheral resistive systemic arteries (0.004 ≤ r ≤0.1 mm), in agreement with data obtained from angiographic, cast‐morphometric, and in vivo experimental studies in the literature. The least energy principle on the total energy basis provides an alternate concept of optimality relating to mammalian arterial fractal dimensions under α = 1.0. PMID:24744905
Nonlinear elastic effects on the energy flux deviation of ultrasonic waves in gr/ep composites
NASA Technical Reports Server (NTRS)
Prosser, William H.; Kriz, R. D.; Fitting, Dale W.
1992-01-01
The effects of nonlinear elasticity on energy flux deviation in undirectional gr/ep composites are examined. The shift in the flux deviation is modeled using acoustoelasticity theory and the second- and third-order elastic stiffness coefficients for T300/5208 gr/ep. Two conditions of applied uniaxial stress are considered. In the first case, the direction of applied uniaxial stress was along the fiber axis (x3), while in the second case it was perpendicular to the fiber axis along the laminate stacking direction (x1). For both conditions, the change in the energy flux deviation angle from the condition of zero applied stress is computed over the range of propagation directions of 0 to 60 deg from the fiber axis at two-degree intervals. A positive flux deviation angle implies the energy deviates away from the fiber direction toward the x1 axis, while a negative deviation means that the energy deviates toward the fibers. Over this range of fiber orientation angles, the energy of the quasi-longitudinal and pure mode transverse waves deviates toward the fibers, while that of the quasi-transverse mode deviates away from the fibers.
Kawano, Toshihiko; Talou, Patrick
2012-09-18
The statistical theories - the Hauser-Feshbach model with the width fluctuation correction - play a central role in studying nuclear reactions in the fast energy region, hence the statistical model codes are essential for the nuclear data evaluations nowadays. In this paper, we revisit issues regarding the statistical model calculations in the fast energy range, such as the inclusion of the direct channels, and the energy averaged cross sections using different statistical assumptions. Although they have been discussed for a long time, we need more precise quantitative investigations to understand uncertainties coming from the models deficiencies in the fast energy range. For example, the partition of compound formation cross section into the elastic and inelastic channels depends on the elastic enhancement factor calculated from the statistical models. In addition, unitarity of S-matrix constrains this partition when the direct reactions are involved. Practically some simple assumptions, which many nuclear reaction model codes adopt, may work reasonably for the nuclear data evaluations. However, the uncertainties on the evaluated cross sections cannot go lower than the model uncertainty itself. We perform numerical simulations by generating the resonances using the R-matrix theory, and compare the energy (ensemble) averaged cross sections with the statistical theories, such as the theories of Moldauer, HRTW (Hofmann, Richert, Tepel, and Weidenmueller), KKM (Kawai-Kerman-McVoy), and GOE (Gaussian orthogonal ensemble).
Potential of renewable and alternative energy sources
NASA Astrophysics Data System (ADS)
Konovalov, V.; Pogharnitskaya, O.; Rostovshchikova, A.; Matveenko, I.
2015-11-01
The article deals with application potential of clean alternative renewable energy sources. By means of system analysis the forecast for consumption of electrical energy in Tomsk Oblast as well as main energy sources of existing energy system have been studied up to 2018. Engineering potential of renewable and alternative energy sources is evaluated. Besides, ranking in the order of their efficiency descending is performed. It is concluded that Tomsk Oblast has high potential of alternative and renewable energy sources, among which the most promising development perspective is implementation of gasification stations to save fuel consumed by diesel power stations as well as building wind-power plants.
Potential energy of a dinuclear system
Adamyan, G.G.; Antonenko, N.V.; Jolos, R.V.; Ivanova, S.P.; Mel`nikova, O.I.
1994-11-01
An effective method for calculating the potential energy of a dinuclear system is proposed. Analytic expressions for calculating the nuclear part of the nucleus-nucleus potential in the double-folding form are obtained. A relationship between this potential and the proximity potential is found. Effects of deformation and mutual orientation of nuclei on the interaction potential are studied. It follows from a comparison of calculated potential energies with nuclear binding energies that excited states of some nuclei can be treated as dinuclear or trinuclear systems. 27 refs., 7 figs.
Magneto-elastic coupling in a potential ferromagnetic 2D atomic crystal
NASA Astrophysics Data System (ADS)
Tian, Yao; Gray, Mason J.; Ji, Huiwen; Cava, R. J.; Burch, Kenneth S.
2016-06-01
Cr2Ge2Te6 has been of interest for decades, as it is one of only a few naturally forming ferromagnetic semiconductors. Recently, this material has been revisited due to its potential as a two-dimensional semiconducting ferromagnet and a substrate to induce anomalous quantum Hall states in topological insulators. However, many relevant properties of Cr2Ge2Te6 still remain poorly understood, especially the spin-phonon coupling crucial to spintronic, multiferrioc, thermal conductivity, magnetic proximity and the establishment of long range order on the nanoscale. We explore the interplay between the lattice and magnetism through high resolution micro-Raman scattering measurements over the temperature range from 10 to 325 K. Strong spin-phonon coupling effects are confirmed from multiple aspects: two low energy modes splits in the ferromagnetic phase, magnetic quasielastic scattering in the paramagnetic phase, the phonon energies of three modes show clear upturn below T C, and the phonon linewidths change dramatically below T C as well. Our results provide the first demonstration of spin-phonon coupling in a potential two-dimensional atomic crystal.
Menti, C; Henriques, J A P; Missell, F P; Roesch-Ely, M
2016-07-01
This work describes the design and development process of an immunosensor. The creation of such devices goes through various steps, which complement each other, and choosing an efficient immobilization method that binds to a specific target is essential to achieve satisfactory diagnostic results. In this perspective, the emphasis here is on developing biosensors based on binding antigens/antibodies on particular surfaces of magneto-elastic sensors. Different aspects leading to the improvement of these sensors, such as the antibody structure, the chemical functionalization of the surface, and cross-linking antibody reticulation were summarized and discussed. This paper deals with the progress of magneto-elastic immunosensors to detect bacterial pathogens and associated toxins. Biologically modified surface characterization methods are further considered. Thus, research opportunities and trends of future development in these areas are finally discussed. PMID:27245676
Al-Mutairi, N.H.; Eltony, M.N.
1995-12-31
This paper estimates the demand for energy in Kuwait for the period 1965-1989 using two econometric models: a cointegration and error correction model (ECM) and a simultaneous-equation model (SEM). The results obtained from both models are similar. It is found that the energy demand is inelastic with respect to price in the short and long run, and while it is elastic in the long run, the energy demand is inelastic with respect to income in the short run. Both models` validation shows that the ECM performed better in replicating the past than the simultaneous model, suggesting the need to use the ECM to identify future prospects for energy demand in Kuwait.
Analysis of Elastic Scattering of 8He+208Pb System at around the Coulomb Barrier Energies
NASA Astrophysics Data System (ADS)
Direkci, M.; Kucuk, Y.; Boztosun, I.
2015-04-01
The elastic scattering angular distribution of 8He+208Pb system is investigated at Elab = 22.0 MeV within the framework of Optical Model by using phenomenological and microscopic potentials. For the phenomenological Optical Model calculations, both real and imaginary parts of the complex nuclear potential have been chosen to have the Wood-Saxon shape. In the microscopic Optical Model calculations, we have used double folding procedure to calculate the real part of optical potential for different kinds of density distributions of 8He. A comparative study of this system has been conducted for the fist time by using phenomenological and microscopic potentials. It is observed that large imaginary radius value due to the existence of long-range absorption mechanism acting at large distances provides a very good agreement between theoretical results and experimental data with small χ2/N values.
Exam Question Exchange: Potential Energy Surfaces.
ERIC Educational Resources Information Center
Alexander, John J., Ed.
1988-01-01
Presents three examination questions, graded in difficulty, that explore the topic of potential energy surfaces using a diagrammatic approach. Provides and discusses acceptable solutions including diagrams. (CW)
Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma
Dzhumagulova, K. N. Shalenov, E. O.; Ramazanov, T. S.
2015-08-15
Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer–Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.
The capacity of the human iliotibial band to store elastic energy during running.
Eng, Carolyn M; Arnold, Allison S; Lieberman, Daniel E; Biewener, Andrew A
2015-09-18
The human iliotibial band (ITB) is a poorly understood fascial structure that may contribute to energy savings during locomotion. This study evaluated the capacity of the ITB to store and release elastic energy during running, at speeds ranging from 2-5m/s, using a model that characterizes the three-dimensional musculoskeletal geometry of the human lower limb and the force-length properties of the ITB, tensor fascia lata (TFL), and gluteus maximus (GMax). The model was based on detailed analyses of muscle architecture, dissections of 3-D anatomy, and measurements of the muscles' moment arms about the hip and knee in five cadaveric specimens. The model was used, in combination with measured joint kinematics and published EMG recordings, to estimate the forces and corresponding strains in the ITB during running. We found that forces generated by TFL and GMax during running stretch the ITB substantially, resulting in energy storage. Anterior and posterior regions of the ITB muscle-tendon units (MTUs) show distinct length change patterns, in part due to different moment arms at the hip and knee. The posterior ITB MTU likely stores more energy than the anterior ITB MTU because it transmits larger muscle forces. We estimate that the ITB stores about 1J of energy per stride during slow running and 7J during fast running, which represents approximately 14% of the energy stored in the Achilles tendon at a comparable speed. This previously unrecognized mechanism for storing elastic energy may be an adaptation to increase human locomotor economy. PMID:26162548
Energy scavenging from acousto-elastic metamaterial using local resonance phenomenon
NASA Astrophysics Data System (ADS)
Ahmed, Riaz U.; Adiba, Afifa; Banerjee, Sourav
2015-04-01
This article presents the possibility of energy scavenging (ES) utilizing the physics of acousto-elastic metamaterial (AEMM) and use them in a dual mode (Acoustic Filter and Energy Harvester), simultaneously. Concurrent wave filtering and energy harvesting mechanism is previously presented using local resonance phenomenon in phononic crystal, however energy harvesting capabilities of AEMM is not reported extensively. Traditionally acoustic metamaterials are used in filtering acoustic waves by trapping or guiding the acoustic energy, whereas this work presents that the trapped dynamic energy inside the soft constituent (matrix) of metamaterials can be significantly harvested by strategically embedding piezoelectric wafers in the matrix. With unit cell model, we asserted that at lower acoustic frequencies maximum power in the micro Watts (~36μW) range can be generated, which is significantly higher than the existing harvesters of same kind. Efficient energy scavengers at low acoustic frequencies are almost absent due to large required size relevant to the acoustic wavelength. In this work we propose sub wave length scale energy scavengers utilizing the coupled physics of local, structural and matrix resonances. Upon validation of the argument through analytical, numerical and experimental studies, a broadband energy scavenger (ES) with multi-cell model is designed with varying geometrical properties.
NASA Astrophysics Data System (ADS)
Gómez Camacho, A.; Gomes, P. R. S.; Lubian, J.; Padrón, I.
2008-05-01
A simultaneous optical model calculation of elastic scattering, complete fusion, and breakup cross sections for energies around the Coulomb barrier is presented for reactions involving the weakly bound projectile Be9 on the medium size target Sm144. In the calculations, the nuclear polarization potential U is split into a volume part UF, which is responsible for fusion reactions, and a surface part UDR, which accounts for direct reactions. A simultaneous χ2 analysis of elastic and complete fusion data shows that the extracted optical potential parameters of the real VF and imaginary WF parts of UF and the corresponding parts VDR and WDR of UDR satisfy separately the dispersion relation. Energy-dependent forms for the fusion and direct reaction potentials indicate that, at the strong absorption radius, the direct reaction potentials dominate over the fusion potentials. Moreover, the imaginary direct reaction potential results in a rather smooth function of E around the barrier energy. These findings show that the threshold anomaly, usually present in reactions with tightly bound projectiles, is not exhibited for the system Be9+Sm144. Within this formalism, the effect of breakup reactions on complete fusion is studied by turning on and off the potentials responsible for breakup reactions.
Nguyen, Ba Nghiep; Paquette, Joshua
2010-08-01
Fiber-reinforced polymer composites can offer important advantages over metals where lightweight, cost-effective manufacturing and high mechanical performance can be achieved. To date, these materials have not been used in hydropower systems. In view of the possibility to tailor their mechanical properties to specific applications, they now have become a subject of research for potential use in hydropower systems. The first step in any structural design that uses composite materials consists of evaluating the basic composite mechanical properties as a function of the as-formed composite microstructure. These basic properties are the elastic stiffness, stress-strain response, and strength. This report describes the evaluation of the elastic stiffness for a series of common discontinuous fiber polymer composites processed by injection molding and compression molding in order to preliminarily estimate whether these composites could be used in hydropower systems for load-carrying components such as turbine blades. To this end, the EMTA (Copyright © Battelle 2010) predictive modeling tool developed at the Pacific Northwest National Laboratory (PNNL) has been applied to predict the elastic properties of these composites as a function of three key microstructural parameters: fiber volume fraction, fiber orientation distribution, and fiber length distribution. These parameters strongly control the composite mechanical performance and can be tailored to achieve property enhancement. EMTA uses the standard and enhanced Mori-Tanaka type models combined with the Eshelby equivalent inclusion method to predict the thermoelastic properties of the composite based on its microstructure.
Zarkevich, Nikolai A.; Johnson, Duane D.
2015-01-09
The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP. In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.
Zarkevich, Nikolai A.; Johnson, Duane D.
2015-01-09
The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP.more » In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.« less
Gradient-index phononic crystal lens-based enhancement of elastic wave energy harvesting
NASA Astrophysics Data System (ADS)
Tol, S.; Degertekin, F. L.; Erturk, A.
2016-08-01
We explore the enhancement of structure-borne elastic wave energy harvesting, both numerically and experimentally, by exploiting a Gradient-Index Phononic Crystal Lens (GRIN-PCL) structure. The proposed GRIN-PCL is formed by an array of blind holes with different diameters on an aluminum plate, where the blind hole distribution is tailored to obtain a hyperbolic secant gradient profile of refractive index guided by finite-element simulations of the lowest asymmetric mode Lamb wave band diagrams. Under plane wave excitation from a line source, experimentally measured wave field validates the numerical simulation of wave focusing within the GRIN-PCL domain. A piezoelectric energy harvester disk located at the first focus of the GRIN-PCL yields an order of magnitude larger power output as compared to the baseline case of energy harvesting without the GRIN-PCL on the uniform plate counterpart.
Shear effects on energy dissipation from an elastic beam on a rigid foundation
Brink, Adam Ray; Quinn, D. Dane
2015-10-20
This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of themore » shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.« less
Shear effects on energy dissipation from an elastic beam on a rigid foundation
Brink, Adam Ray; Quinn, D. Dane
2015-10-20
This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of the shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.
Low frequency energy scavenging using sub-wave length scale acousto-elastic metamaterial
NASA Astrophysics Data System (ADS)
Ahmed, Riaz U.; Banerjee, Sourav
2014-11-01
This letter presents the possibility of energy scavenging (ES) utilizing the physics of acousto-elastic metamaterial (AEMM) at low frequencies (<˜3KHz). It is proposed to use the AEMM in a dual mode (Acoustic Filter and Energy Harvester), simultaneously. AEMM's are typically reported for filtering acoustic waves by trapping or guiding the acoustic energy, whereas this letter shows that the dynamic energy trapped inside the soft constituent (matrix) of metamaterials can be significantly harvested by strategically embedding piezoelectric wafers in the matrix. With unit cell AEMM model, we experimentally asserted that at lower acoustic frequencies (< ˜3 KHz), maximum power in the micro Watts (˜35µW) range can be generated, whereas, recently reported phononic crystal based metamaterials harvested only nano Watt (˜30nW) power against 10KΩ resistive load. Efficient energy scavengers at low acoustic frequencies are almost absent due to large required size relevant to the acoustic wavelength. Here we report sub wave length scale energy scavengers utilizing the coupled physics of local, structural and matrix resonances. Upon validation of the argument through analytical, numerical and experimental studies, a multi-frequency energy scavenger (ES) with multi-cell model is designed with varying geometrical properties capable of scavenging energy (power output from ˜10µW - ˜90µW) between 0.2 KHz and 1.5 KHz acoustic frequencies.
Elastic energy in locomotion: Spring-mass vs. poly-articulated models.
Moretto, Pierre; Villeger, David; Costes, Antony; Watier, Bruno
2016-07-01
The human is often modeled as a Poly-Articulated Model (PAM) with rigid segments while some authors use a Spring Mass Model (SMM) for modeling locomotion. These two models are considered independent, and the objective of this study was to link them in order to enlighten the origin of the elasticity in locomotion. Using the characteristics of the two models, a theoretical relationship demonstrates that the variation of elastic energy of the SMM equals the variation of the internal kinetic energy minus internal forces work of the PAM. This theoretical relationship was experimentally investigated among 19 healthy participants walking and running on a treadmill. The results showed that the equality is verified except during the double support phase at 0.56ms(-1), at high walking speeds (1.67 and 2.22ms(-1)) or during the aerial phase of running. The formal relationship showed that the global stiffness of the SMM is directly related to the work of the internal forces of the PAM, and thus, to the characteristics of the musculoskeletal system. It also showed the relevance of taking into account the participation of each joint in the global stiffness. Finally, the coordination of internal forces work to produce a global stiffness may be considered as a new criterion of movement optimization for clinical purposes or motion planning for humanoid robots. PMID:27285478
Water Holding as Determinant for the Elastically Stored Energy in Protein-Based Gels.
Pouvreau, Laurice; van Wijlen, Emke; Klok, Jan; Urbonaite, Vaida; Munialo, Claire D; de Jongh, Harmen H J
2016-04-01
To evaluate the importance of the water holding capacity for the elastically stored energy of protein gels, a range of gels were created from proteins from different origin (plant: pea and soy proteins, and animal: whey, blood plasma, egg white proteins, and ovalbumin) varying in network morphology set by the protein concentration, pH, ionic strength, or the presence of specific ions. The results showed that the observed positive and linear relation between water holding (WH) and elastically stored energy (RE) is generic for globular protein gels studied. The slopes of this relation are comparable for all globular protein gels (except for soy protein gels) whereas the intercept is close to 0 for most of the systems except for ovalbumin and egg white gels. The slope and intercept obtained allows one to predict the impact of tuning WH, by gel morphology or network stiffness, on the mechanical deformation of the protein-based gel. Addition of charged polysaccharides to a protein system leads to a deviation from the linear relation between WH and RE and this deviation coincides with a change in phase behavior. PMID:26894687
Elastic cross sections for low-energy electron collisions with tetrahydropyran
NASA Astrophysics Data System (ADS)
Souza Barbosa, Alessandra; Bettega, Márcio H. F.
2016-02-01
We report on calculated elastic cross sections for low-energy electron collisions with the cyclic ether tetrahydropyran (C5H10O). The calculations were carried out with the Schwinger multichannel method implemented with norm-conserving pseudopotentials in the static-exchange-polarization approximation for energies up to 20 eV. Our cross sections are compared with previous results obtained for cyclohexane and 1,4-dioxane, since the three molecules present similar structures. The calculated differential cross sections for these three molecules present similarities, except at low scattering angles, where the differential cross sections of tetrahydropyran present a sharp increase due to the permanent dipole moment of the molecule. The similarities observed in the cross sections reveal that the molecular geometry plays an important role in the description of scattering process. We also compared our calculated elastic integral cross section for tetrahydropyran with experimental total cross sections data available in the literature and found a good qualitative agreement between both results. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.
Elastic cross sections for low-energy electron collisions with tetrahydropyran
NASA Astrophysics Data System (ADS)
Barbosa, Alessandra Souza; Bettega, Márcio H. F.
2016-02-01
We report on calculated elastic cross sections for low-energy electron collisions with the cyclic ether tetrahydropyran (C5H10O). The calculations were carried out with the Schwinger multichannel method implemented with norm-conserving pseudopotentials in the static-exchange-polarization approximation for energies up to 20 eV. Our cross sections are compared with previous results obtained for cyclohexane and 1,4-dioxane, since the three molecules present similar structures. The calculated differential cross sections for these three molecules present similarities, except at low scattering angles, where the differential cross sections of tetrahydropyran present a sharp increase due to the permanent dipole moment of the molecule. The similarities observed in the cross sections reveal that the molecular geometry plays an important role in the description of scattering process. We also compared our calculated elastic integral cross section for tetrahydropyran with experimental total cross sections data available in the literature and found a good qualitative agreement between both results.
Energy-loss of He ions in carbon allotropes studied by elastic resonance in backscattering spectra
NASA Astrophysics Data System (ADS)
Tosaki, Mitsuo; Rauhala, Eero
2015-10-01
Backscattering spectra for 4He ions incident on carbon allotropes have been measured in the energy range from 4.30 to 4.95 MeV in steps of 50-100 keV at scattering angles of 106° and 170°. We used three carbon allotropes: graphite, diamond and amorphous carbon. For all these allotropes, we can observe the sharp (4He, 12C) elastic nuclear resonance at the He ion energy of 4.265 MeV in the backscattering spectra. By varying the incident He energy, we have systematically analyzed the profiles of the resonance peaks to study the energy-loss processes: stopping cross-sections and energy-loss straggling around the interesting region of the stopping maximum at about 500 keV. We focus on the resonance profiles and investigate an allotropic effect concerning the energy-loss. Furthermore, an energy bunching effect on the straggling is presented and the mechanism is discussed.
Energy potential of modern landfills
Bogner, J.E.
1990-01-01
Methane produced by refuse decomposition in a sanitary landfill can be recovered for commercial use. Landfill methane is currently under-utilized, with commercial recovery at only a small percentage of US landfills. New federal regulations mandating control of landfill gas migration and atmospheric emissions are providing impetus to methane recovery schemes as a means of recovering costs for increased environmental control. The benefits of landfill methane recovery include utilization of an inexpensive renewable energy resource, removal of explosive gas mixtures from the subsurface, and mitigation of observed historic increases in atmospheric methane. Increased commercial interest in landfill methane recovery is dependent on the final form of Clean Air Act amendments pertaining to gaseous emissions from landfills; market shifts in natural gas prices; financial incentives for development of renewable energy resources; and support for applied research and development to develop techniques for increased control of the gas generation process in situ. This paper will discuss the controls on methane generation in landfills. In addition, it will address how landfill regulations affect landfill design and site management practices which, in turn, influence decomposition rates. Finally, future trends in landfilling, and their relationship to gas production, will be examined. 19 refs., 2 figs., 3 tabs.
Geothermal Energy Potential in Western United States
ERIC Educational Resources Information Center
Pryde, Philip R.
1977-01-01
Reviews types of geothermal energy sources in the western states, including hot brine systems and dry steam systems. Conversion to electrical energy is a major potential use of geothermal energy, although it creates environmental disruptions such as noise, corrosion, and scaling of equipment. (AV)
Lai, Adrian; Schache, Anthony G; Lin, Yi-Chung; Pandy, Marcus G
2014-09-01
The human ankle plantar-flexors, the soleus and gastrocnemius, utilize tendon elastic strain energy to reduce muscle fiber work and optimize contractile conditions during running. However, studies to date have considered only slow to moderate running speeds up to 5 m s(-1). Little is known about how the human ankle plantar-flexors utilize tendon elastic strain energy as running speed is advanced towards maximum sprinting. We used data obtained from gait experiments in conjunction with musculoskeletal modeling and optimization techniques to calculate muscle-tendon unit (MTU) work, tendon elastic strain energy and muscle fiber work for the ankle plantar-flexors as participants ran at five discrete steady-state speeds ranging from jogging (~2 m s(-1)) to sprinting (≥8 m s(-1)). As running speed progressed from jogging to sprinting, the contribution of tendon elastic strain energy to the positive work generated by the MTU increased from 53% to 74% for the soleus and from 62% to 75% for the gastrocnemius. This increase was facilitated by greater muscle activation and the relatively isometric behavior of the soleus and gastrocnemius muscle fibers. Both of these characteristics enhanced tendon stretch and recoil, which contributed to the bulk of the change in MTU length. Our results suggest that as steady-state running speed is advanced towards maximum sprinting, the human ankle plantar-flexors continue to prioritize the storage and recovery of tendon elastic strain energy over muscle fiber work. PMID:24948642
Sub-wavelength energy trapping of elastic waves in a metamaterial.
Colombi, Andrea; Roux, Philippe; Rupin, Matthieu
2014-08-01
Deep sub-wavelength focusing has been demonstrated for locally resonant metamaterials using electromagnetic and acoustic waves. The elastic equivalents of such objects are made of sub-wavelength resonating beams fixed to a two-dimensional plate, as presented here. Independent of a random or regular arrangement of the resonators, the metamaterial shows large bandgaps that are independent of the incident wave direction. Numerical simulations demonstrate that the insertion of a defect in the layout, as a shorter resonator, creates strong amplification of the wave-field on the defect. This energy trapping, which is localized on a spatial scale that is much smaller than the wavelength in the two-dimensional plate, leads to a >1 factor in terms of the local density of energy. PMID:25096146
NASA Astrophysics Data System (ADS)
Saleem, Mohammed; Morlot, Sandrine; Hohendahl, Annika; Manzi, John; Lenz, Martin; Roux, Aurélien
2015-02-01
In endocytosis, scaffolding is one of the mechanisms to create membrane curvature by moulding the membrane into the spherical shape of the clathrin cage. However, the impact of membrane elastic parameters on the assembly and shape of clathrin lattices has never been experimentally evaluated. Here, we show that membrane tension opposes clathrin polymerization. We reconstitute clathrin budding in vitro with giant unilamellar vesicles (GUVs), purified adaptors and clathrin. By changing the osmotic conditions, we find that clathrin coats cause extensive budding of GUVs under low membrane tension while polymerizing into shallow pits under moderate tension. High tension fully inhibits polymerization. Theoretically, we predict the tension values for which transitions between different clathrin coat shapes occur. We measure the changes in membrane tension during clathrin polymerization, and use our theoretical framework to estimate the polymerization energy from these data. Our results show that membrane tension controls clathrin-mediated budding by varying the membrane budding energy.
Cross sections for elastic electron scattering by tetramethylsilane in the intermediate-energy range
Sugohara, R. T.; Lee, M.-T.; Iga, I.; Souza, G. L. C. de; Homem, M. G. P.
2011-12-15
Organosilicon compounds are of current interest due to the numerous applications of these species in industries. Some of these applications require the knowledge of electron collision cross sections, which are scarce for such compounds. In this work, we report absolute values of differential, integral, and momentum-transfer cross sections for elastic electron scattering by tetramethylsilane (TMS) measured in the 100-1000 eV energy range. The relative-flow technique is used to normalize our data. In addition, the independent-atom-model (IAM) and the additivity rule (AR), widely used to model electron collisions with light hydrocarbons, are also applied for e{sup -}-TMS interaction. The comparison of our measured results of cross sections and the calculated data shows good agreement, particularly near the higher-end of incident energies.
Saleem, Mohammed; Morlot, Sandrine; Hohendahl, Annika; Manzi, John; Lenz, Martin; Roux, Aurélien
2015-01-01
In endocytosis, scaffolding is one of the mechanisms to create membrane curvature by moulding the membrane into the spherical shape of the clathrin cage. However, the impact of membrane elastic parameters on the assembly and shape of clathrin lattices has never been experimentally evaluated. Here, we show that membrane tension opposes clathrin polymerization. We reconstitute clathrin budding in vitro with giant unilamellar vesicles (GUVs), purified adaptors and clathrin. By changing the osmotic conditions, we find that clathrin coats cause extensive budding of GUVs under low membrane tension while polymerizing into shallow pits under moderate tension. High tension fully inhibits polymerization. Theoretically, we predict the tension values for which transitions between different clathrin coat shapes occur. We measure the changes in membrane tension during clathrin polymerization, and use our theoretical framework to estimate the polymerization energy from these data. Our results show that membrane tension controls clathrin-mediated budding by varying the membrane budding energy. PMID:25695735
Saleem, Mohammed; Morlot, Sandrine; Hohendahl, Annika; Manzi, John; Lenz, Martin; Roux, Aurélien
2015-01-01
In endocytosis, scaffolding is one of the mechanisms to create membrane curvature by moulding the membrane into the spherical shape of the clathrin cage. However, the impact of membrane elastic parameters on the assembly and shape of clathrin lattices has never been experimentally evaluated. Here, we show that membrane tension opposes clathrin polymerization. We reconstitute clathrin budding in vitro with giant unilamellar vesicles (GUVs), purified adaptors and clathrin. By changing the osmotic conditions, we find that clathrin coats cause extensive budding of GUVs under low membrane tension while polymerizing into shallow pits under moderate tension. High tension fully inhibits polymerization. Theoretically, we predict the tension values for which transitions between different clathrin coat shapes occur. We measure the changes in membrane tension during clathrin polymerization, and use our theoretical framework to estimate the polymerization energy from these data. Our results show that membrane tension controls clathrin-mediated budding by varying the membrane budding energy. PMID:25695735
NASA Astrophysics Data System (ADS)
Xiao, Si; Wang, He-Ling; Liu, Bin; Hwang, Keh-Chih
2015-11-01
The J-integral based criterion is widely used in elastic-plastic fracture mechanics. However, it is not rigorously applicable when plastic unloading appears during crack propagation. One difficulty is that the energy density with plastic unloading in the J-integral cannot be defined unambiguously. In this paper, we alternatively start from the analysis on the power balance, and propose a surface-forming energy release rate (ERR), which represents the energy available for separating the crack surfaces during the crack propagation and excludes the loading-mode-dependent plastic dissipation. Therefore the surface-forming ERR based fracture criterion has wider applicability, including elastic-plastic crack propagation problems. Several formulae are derived for calculating the surface-forming ERR. From the most concise formula, it is interesting to note that the surface-forming ERR can be computed using only the stress and deformation of the current moment, and the definition of the energy density or work density is avoided. When an infinitesimal contour is chosen, the expression can be further simplified. For any fracture behaviors, the surface-forming ERR is proven to be path-independent, and the path-independence of its constituent term, so-called Js-integral, is also investigated. The physical meanings and applicability of the proposed surface-forming ERR, traditional ERR, Js-integral and J-integral are compared and discussed. Besides, we give an interpretation of Rice paradox by comparing the cohesive fracture model and the surface-forming ERR based fracture criterion.
Wave Energy Potential in the Latvian EEZ
NASA Astrophysics Data System (ADS)
Beriņš, J.; Beriņš, J.; Kalnačs, J.; Kalnačs, A.
2016-06-01
The present article deals with one of the alternative forms of energy - sea wave energy potential in the Latvian Exclusice Economic Zone (EEZ). Results have been achieved using a new method - VEVPP. Calculations have been performed using the data on wave parameters over the past five years (2010-2014). We have also considered wave energy potential in the Gulf of Riga. The conclusions have been drawn on the recommended methodology for the sea wave potential and power calculations for wave-power plant pre-design stage.
Exploring elasticity and energy dissipation in mussel-inspired hydrogel transient networks
NASA Astrophysics Data System (ADS)
Grindy, Scott; Learsch, Robert; Holten-Andersen, Niels
Dynamic, reversible crosslinks have been shown to specifically control the mechanical properties of a wide variety of mechanically tough and resilient biomaterials. We have shown that reversible histidine-metal ion interactions, known to contribute to the strong mechanical properties and self-healing nature of mussel byssal threads, can be used to control and engineer the temporally-hierarchical mechanical properties of model hydrogels orthogonally from the spatial structure of the material. Here, we explore the scaling relationships in our model networks to further inform our abilities to control the relative elasticity and energy dissipation on hierarchical timescales. Scaling arguments suggest that the elasticity is dominated by long-range entanglements, while the dissipation is controlled by the exchange kinetics of the transient crosslinks. Further, we show that by using UV light, we can further control the viscoelastic properties of our mussel-inspired hydrogels in situ. This process opens the door for creating biocompatible hydrogel materials with arbitrary spatial control over their viscoelastic mechanical properties. Overall, we show that by understanding the interplay between bio-inspired dynamic crosslinks and soft matter physics allows us to rationally design high-strength hydrogels for specific states of dynamic loading.
Investigation of the interwire energy transfer of elastic guided waves inside prestressed cables.
Treyssède, Fabien
2016-07-01
Elastic guided waves are of interest for the non-destructive evaluation of cables. Cables are most often multi-wire structures, and understanding wave propagation requires numerical models accounting for the helical geometry of individual wires, the interwire contact mechanisms and the effects of prestress. In this paper, a modal approach based on a so-called semi-analytical finite element method and taking advantage of a biorthogonality relation is proposed in order to calculate the forced response under excitation of a cable, multi-wired, twisted, and prestressed. The main goal of this paper is to investigate how the energy transfers from a given wire, directly excited, to the other wires in order to identify some localization of energy inside the active wire as the waves propagate along the waveguide. The power flow of the excited field is theoretically derived and an energy transfer parameter is proposed to evaluate the level of energy localization inside a given wire. Numerical results obtained for different polarizations of excitation, central and peripheral, highlight how the energy may localize, spread, or strongly change in the cross-section as waves travel along the axis. In particular, a compressional mode localized inside the central wire is found, with little dispersion and significant excitability. PMID:27475173
NASA Astrophysics Data System (ADS)
Xu, H.; Wittmer, J. P.; Polińska, P.; Baschnagel, J.
2012-10-01
The truncation of a pair potential at a distance rc is well known to imply, in general, an impulsive correction to the pressure and other moments of the first derivatives of the potential. That, depending on rc, the truncation may also be of relevance to higher derivatives is shown theoretically for the Born contributions to the elastic moduli obtained using the stress-fluctuation formalism in d dimensions. Focusing on isotropic liquids for which the shear modulus G must vanish by construction, the predicted corrections are tested numerically for binary mixtures and polydisperse Lennard-Jones beads in, respectively, d=3 and 2 dimensions. Both models being glass formers, we comment briefly on the temperature (T) dependence of the (corrected) shear modulus G(T) around the glass transition temperature Tg.
Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang
2016-09-01
A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method. PMID:27608986
NASA Astrophysics Data System (ADS)
Zenkour, Ashraf M.; Abbas, Ibrahim A.
2015-12-01
The electro-magneto-thermo-elastic analysis problem of an infinite functionally graded (FG) hollow cylinder is studied in the context of Green-Naghdi's (G-N) generalized thermoelasticity theory (without energy dissipation). Material properties are assumed to be graded in the radial direction according to a novel power-law distribution in terms of the volume fractions of the metal and ceramic constituents. The inner surface of the FG cylinder is pure metal whereas the outer surface is pure ceramic. The equations of motion and the heat-conduction equation are used to derive the governing second-order differential equations. A finite element scheme is presented for the numerical purpose. The system of differential equations is solved numerically and some plots for displacement, radial and electromagnetic stresses, and temperature are presented. The radial displacement, mechanical stresses and temperature as well as the electromagnetic stress are all investigated along the radial direction of the infinite cylinder.
Fully microscopic description of elastic and inelastic scattering at intermediate incident energies
NASA Astrophysics Data System (ADS)
Minomo, Kosho; Kohno, Michio; Toyokawa, Masakazu; Yahiro, Masanobu; Ogata, Kazuyuki
2016-06-01
We aim for fully microscopic understanding of many-body nuclear reactions starting from two- and three-nucleon forces based on chiral effective field theory (Ch-EFT). We first construct a g-matrix with the nuclear forces based on Ch-EFT using Brueckner-Hartree-Fock theory, in which the three-nucleon force effects are represented through the density dependence of the g-matrix. Then, the folding model and microscopic coupled-channels method with the g-matrix are applied to nucleon-nucleus and nucleus-nucleus scattering at intermediate incident energies. This new microscopic framework well describes the elastic and inelastic cross sections with no ad-hoc parameters. In addition, the three-nucleon force and coupled-channels effects on many-body nuclear reactions are clarified.
Elastic proton scattering at intermediate energies as a probe of the He,86 nuclear matter densities
NASA Astrophysics Data System (ADS)
Chung, Le Xuan; Kiselev, Oleg A.; Khoa, Dao T.; Egelhof, Peter
2015-09-01
The Glauber model analysis of the elastic He,86+p scattering data at energies around 700 MeV/nucleon, measured in two separate experiments at GSI-Darmstadt, has been carried out using several phenomenological parametrizations of the nuclear matter density. By taking into account the new data points measured at high-momentum transfer, the nuclear matter radii of ,8He6 have been accurately determined from the Glauber model analysis of the data, with the spin-orbital interaction explicitly taken into account. The well-known geometry for the core and dineutron halo has been used with the new parametrizations of the 6He density to extract the detailed information on the structure of 6He in terms of the core and dineutron halo radii. An enhanced sensitivity of the data measured at high-momentum transfer to the core part of the 6,8He densities has been found.
Elastic scattering of low-energy electrons by 1,4-dioxane
Barbosa, Alessandra Souza; Bettega, Márcio H. F.
2014-05-14
We report calculated cross sections for elastic collisions of low-energy-electrons with 1,4-dioxane. Our calculations employed the Schwinger multichannel method with pseudopotentials and were carried out in the static-exchange and static-exchange plus polarization approximations for energies up to 30 eV. Our results show the presence of three shape resonances belonging to the B{sub u}, A{sub u}, and B{sub g} symmetries and located at 7.0 eV, 8.4 eV, and 9.8 eV, respectively. We also report the presence of a Ramsauer-Townsend minimum located at around 0.05 eV. We compare our calculated cross sections with experimental data and R-matrix and independent atom model along with the additivity rule corrected by using screening coefficients theoretical results for 1,4-dioxane obtained by Palihawadana et al. [J. Chem. Phys. 139, 014308 (2013)]. The agreement between the present and the R-matrix theoretical calculations of Palihawadana et al. is relatively good at energies below 10 eV. Our calculated differential cross sections agree well with the experimental data, showing only some discrepancies at higher energies.
Elastic scattering of low-energy electrons by 1,4-dioxane
NASA Astrophysics Data System (ADS)
Barbosa, Alessandra Souza; Bettega, Márcio H. F.
2014-05-01
We report calculated cross sections for elastic collisions of low-energy-electrons with 1,4-dioxane. Our calculations employed the Schwinger multichannel method with pseudopotentials and were carried out in the static-exchange and static-exchange plus polarization approximations for energies up to 30 eV. Our results show the presence of three shape resonances belonging to the Bu, Au, and Bg symmetries and located at 7.0 eV, 8.4 eV, and 9.8 eV, respectively. We also report the presence of a Ramsauer-Townsend minimum located at around 0.05 eV. We compare our calculated cross sections with experimental data and R-matrix and independent atom model along with the additivity rule corrected by using screening coefficients theoretical results for 1,4-dioxane obtained by Palihawadana et al. [J. Chem. Phys. 139, 014308 (2013)]. The agreement between the present and the R-matrix theoretical calculations of Palihawadana et al. is relatively good at energies below 10 eV. Our calculated differential cross sections agree well with the experimental data, showing only some discrepancies at higher energies.
Wind energy in China: Estimating the potential
NASA Astrophysics Data System (ADS)
Yuan, Jiahai
2016-07-01
Persistent and significant curtailment has cast concern over the prospects of wind power in China. A comprehensive assessment of the production of energy from wind has identified grid-integrated wind generation potential at 11.9–14% of China's projected energy demand by 2030.
Potential of energy production from conserved forages
Technology Transfer Automated Retrieval System (TEKTRAN)
Forages have a potential role in meeting the demand for energy. Perennial forages are attractive for various reasons. One, both the monetary and energy cost of planting is spread over many years. Two, we already have the equipment for harvesting, storing and transporting this source of biomass. Thre...
Theoretical studies of potential energy surfaces
Harding, L.B.
1995-07-01
MRCI (configuration interaction) calculations were used to examine possible pathways for the O{sub 2} + CCH reaction. The H{sub 2} + CN potential surface was examined. An initial survey was made of the HCl + CN potential energy surface at a low level of theory.
NASA Astrophysics Data System (ADS)
Gomes, P. R. S.; Lubian, J.; Canto, L. F.; Otomar, D. R.; Junior, D. R. Mendes; de Faria, P. N.; Linares, R.; Sigaud, L.; Rangel, J.; Ferreira, J. L.; Ferioli, E.; Paes, B.; Cardozo, E. N.; Cortes, M. R.; Ermamatov, M. J.; Lotti, P.; Hussein, M. S.
2016-03-01
We present a brief review of the reaction mechanisms involved in collisions of weakly bound projectiles with tightly bound targets, at near-barrier energies. We discuss systematic behaviors of the data, with emphasis in fusion, breakup, nucleon transfer and elastic scattering. The dependence of the breakup cross section on the charge and mass of the target is discussed, and the influence of the breakup channel on complete fusion is investigated. For this purpose, we compare reduced fusion cross sections with a benchmark universal curve. The behaviors observed in the comparisons are explained in terms of polarization potentials and of nucleon transfer followed by breakup. The influence of the breakup process on elastic scattering is also discussed. Some apparent contradictions between results of different authors are explained and some perspectives of the field are presented.
Economic Energy Savings Potential in Federal Buildings
Brown, Daryl R.; Dirks, James A.; Hunt, Diane M.
2000-09-04
The primary objective of this study was to estimate the current life-cycle cost-effective (i.e., economic) energy savings potential in Federal buildings and the corresponding capital investment required to achieve these savings, with Federal financing. Estimates were developed for major categories of energy efficiency measures such as building envelope, heating system, cooling system, and lighting. The analysis was based on conditions (building stock and characteristics, retrofit technologies, interest rates, energy prices, etc.) existing in the late 1990s. The potential impact of changes to any of these factors in the future was not considered.
McCarty, K.F. )
1999-09-01
We address whether the elastic strain-energy theory (minimizing the Gibbs energy of a stressed crystal) of McKenzie and co-workers [D. R. McKenzie and M. M. M. Bilek, J. Vac. Sci. Technol. A [bold 16], 2733 (1998)] adequately explains the preferred orientation observed in carbon and BN films. In the formalism, the Gibbs energy of the cubic materials diamond and cubic boron includes the strain that occurs when the phases form, through specific structural transformations, from graphitic precursors. This treatment violates the requirement of thermodynamics that the Gibbs energy be a path-independent, state function. If the cubic phases are treated using the same (path-independent) formalism applied to the graphitic materials, the crystallographic orientation of lowest Gibbs energy is not that observed experimentally. For graphitic (hexagonal) carbon and BN, an elastic strain approach seems inappropriate because the compressive stresses in energetically deposited films are orders of magnitude higher than the elastic limit of the materials. Furthermore, using the known elastic constants of either ordered or disordered graphitic materials, the theory does not predict the orientation observed by experiment. [copyright] [ital 1999 American Vacuum Society.
3D printed elastic honeycombs with graded density for tailorable energy absorption
NASA Astrophysics Data System (ADS)
Bates, Simon R. G.; Farrow, Ian R.; Trask, Richard S.
2016-04-01
This work describes the development and experimental analysis of hyperelastic honeycombs with graded densities, for the purpose of energy absorption. Hexagonal arrays are manufactured from thermoplastic polyurethane (TPU) via fused filament fabrication (FFF) 3D printing and the density graded by varying cell wall thickness though the structures. Manufactured samples are subject to static compression tests and their energy absorbing potential analysed via the formation of energy absorption diagrams. It is shown that by grading the density through the structure, the energy absorption profile of these structures can be manipulated such that a wide range of compression energies can be efficiently absorbed.
Ferruzzi, J; Bersi, M R; Uman, S; Yanagisawa, H; Humphrey, J D
2015-03-01
Central artery stiffness has emerged over the past 15 years as a clinically significant indicator of cardiovascular function and initiator of disease. Loss of elastic fiber integrity is one of the primary contributors to increased arterial stiffening in aging, hypertension, and related conditions. Elastic fibers consist of an elastin core and multiple glycoproteins; hence defects in any of these constituents can adversely affect arterial wall mechanics. In this paper, we focus on mechanical consequences of the loss of fibulin-5, an elastin-associated glycoprotein involved in elastogenesis. Specifically, we compared the biaxial mechanical properties of five central arteries-the ascending thoracic aorta, descending thoracic aorta, suprarenal abdominal aorta, infrarenal abdominal aorta, and common carotid artery-from male and female wild-type and fibulin-5 deficient mice. Results revealed that, independent of sex, all five regions in the fibulin-5 deficient mice manifested a marked increase in structural stiffness but also a marked decrease in elastic energy storage and typically an increase in energy dissipation, with all differences being most dramatic in the ascending and abdominal aortas. Given that the primary function of large arteries is to store elastic energy during systole and to use this energy during diastole to work on the blood, fibulin-5 deficiency results in a widespread diminishment of central artery function that can have significant effects on hemodynamics and cardiac function. PMID:25532020
On the Elastic Energy Density of Constrained Q-Tensor Models for Biaxial Nematics
NASA Astrophysics Data System (ADS)
Mucci, Domenico; Nicolodi, Lorenzo
2012-12-01
Within the Landau-de Gennes theory, the order parameter describing a biaxial nematic liquid crystal assigns a symmetric traceless 3 × 3 matrix Q with three distinct eigenvalues to every point of the region Ω occupied by the system. In the constrained case of matrices Q with constant eigenvalues, the order parameter space is diffeomorphic to the eightfold quotient {{S}^3/{H}} of the 3-sphere {{S}^3}, where {{H}} is the quaternion group, and a configuration of a biaxial nematic liquid crystal is described by a map from Ω to {{S}^3/{H}}. We express the (simplest form of the) Landau-de Gennes elastic free-energy density as a density defined on maps {q: Ω to {S}^3}, whose functional dependence is restricted by the requirements that (1) it is well defined on the class of configuration maps from Ω to {{S}^3/{H}} (residual symmetry) and (2) it is independent of arbitrary superposed rigid rotations (frame indifference). As an application of this representation, we then discuss some properties of the corresponding energy functional, including coercivity, lower semicontinuity and strong density of smooth maps. Other invariance properties are also considered. In the discussion, we take advantage of the identification of {{S}^3} with the Lie group of unit quaternions {Sp(1) \\cong SU(2)} and of the relations between quaternions and rotations in {{R}^3} and {{R}^4}.
Chernodub, M N; Lundgren, Martin; Niemi, Antti J
2011-01-01
We present a numerical Monte Carlo analysis of the phase structure in a continuous spin Ising chain that describes chiral homopolymers. We find that depending on the value of the Metropolis temperature, the model displays the three known nontrivial phases of polymers: At low temperatures the model is in a collapsed phase, at medium temperatures it is in a random walk phase, and at high temperatures it enters the self-avoiding random walk phase. By investigating the temperature dependence of the specific energy we confirm that the transition between the collapsed phase and the random walk phase is a phase transition, while the random walk phase and self-avoiding random walk phase are separated from each other by a crossover transition. We propose that the model can be applied to characterize the statistical properties of protein folding. For this we compare the predictions of the model to a phenomenological elastic energy formula, proposed by J. Lei and K. Huang [e-print arXiv:1002.5013; Europhys. Lett. 88, 68004 (2009)] to describe folded proteins. PMID:21405680
NASA Astrophysics Data System (ADS)
Chernodub, M. N.; Lundgren, Martin; Niemi, Antti J.
2011-01-01
We present a numerical Monte Carlo analysis of the phase structure in a continuous spin Ising chain that describes chiral homopolymers. We find that depending on the value of the Metropolis temperature, the model displays the three known nontrivial phases of polymers: At low temperatures the model is in a collapsed phase, at medium temperatures it is in a random walk phase, and at high temperatures it enters the self-avoiding random walk phase. By investigating the temperature dependence of the specific energy we confirm that the transition between the collapsed phase and the random walk phase is a phase transition, while the random walk phase and self-avoiding random walk phase are separated from each other by a crossover transition. We propose that the model can be applied to characterize the statistical properties of protein folding. For this we compare the predictions of the model to a phenomenological elastic energy formula, proposed by J. Lei and K. Huang [e-print arXiv:1002.5013; Europhys. Lett.EULEEJ0295-507510.1209/0295-5075/88/68004 88, 68004 (2009)] to describe folded proteins.
Low-energy elastic electron scattering from isobutanol and related alkyl amines
NASA Astrophysics Data System (ADS)
Fedus, Kamil; Navarro, C.; Hargreaves, L. R.; Khakoo, M. A.; Silva, F. M.; Bettega, M. H. F.; Winstead, C.; McKoy, V.
2014-09-01
Normalized experimental differential and integral cross sections for vibrationally elastic scattering of low-energy electrons from isobutanol (C4H9OH ) are presented. The differential cross sections are measured at incident energies from 1 to 100 eV and scattering angles from 5∘ to 130∘. These cross sections are compared to earlier experimental and theoretical results for isobutanol and n-butanol, as well as to results for smaller alcohols and for alkanes. Further comparisons are made with calculated cross sections for isobutylamine (C4H9NH2) and for smaller amines, including ethylamine (C2H5NH2), dimethylamine (CH3NHCH3), the two C3H7NH2 isomers n-propylamine and isopropylamine, and ethylene diamine (NH2C2H4NH2). The calculated cross sections are obtained using the Schwinger multichannel method. The comparisons illuminate the role of molecular structure in determining the angular distribution of resonantly scattered electrons.
Silicone-based elastic composites able to generate energy on micromechanical impulse
NASA Astrophysics Data System (ADS)
Racles, Carmen; Ignat, Mircea; Bele, Adrian; Dascalu, Mihaela; Lipcinski, Daniel; Cazacu, Maria
2016-08-01
Elastic composites were prepared based on a polydimethylsiloxane-α,ω-diol (M w = 139 000 g mol‑1), different α,ω-bis(trimethylsiloxy)poly(methylcyanopropyl-methylhexyl-methylhydro)siloxanes as the polar group component and TEOS as a cross-linking agent and silica generator. The resulting materials consisted of polar–nonpolar interconnected networks as matrices which had 7.4 or 9.5 wt% in situ generated silica and contained up to 2.74 wt% CN groups. The films formed were tested for electromechanical response to a micromechanical impulse. It was found that their performance was proportional to their electromechanical sensitivity (β = ε‧/Y, where ε‧ is the dielectric permittivity and Y is Young’s modulus); thus it can be adjusted by their composition, via tailoring the dielectric and mechanical properties. The generated voltage peak-to-peak measured was between 3.75 and 12.3 V mm‑1. The best result for the tested materials (i.e. harvested energy of 460 nJ or energy density of 4.6 μJ cm‑3, as a response to a micro-impulse of 0.017 kg m s‑1) was obtained for a film having ε‧ = 3.6 and Y = 0.19 MPa.
Potential energy function for the hydroperoxyl radical
Lemon, W.J.; Hase, W.L.
1987-03-12
A switching function formalism is used to derive an analytic potential energy surface for the O + OH in equilibrium HO/sub 2/ in equilibrium H + O/sub 2/ reactive system. Both experimental and ab initio data are used to derive parameters for the potential energy surface. Trajectory calculations for highly excited HO/sub 2/ are performed on this surface. From these trajectories quasi-periodic eigentrajectories are found for vibrational levels near the HO/sub 2/ dissociation threshold with small amounts of quanta in the OH stretch mode and large amounts of quanta in the OO stretch mode.
Geothermal energy and its potential. [Utah
Berge, C.W.
1980-06-01
A brief review of geothermal energy and its potential as a future energy source is presented. The type of geothermal systems and their geologic occurrence is discussed, and the Phillips Petroleum Company's exploration and drilling programs in the Roosevelt Hot Springs area in parts of Iron, Beaver, and Millard Counties, Utah are detailed. A section on the rock behavior and mechanical properties of rocks in the Roosevelt Hot Springs area is included. (JMT)
Biomass resource potential using energy crops
Wright, L.L.; Cushman, J.H.; Martin, S.A.
1993-09-01
Biomass energy crops can provide a significant and environmentally beneficial source of renewable energy feedstocks for the future. They can revitalize the agricultural sector of the US economy by providing profitable uses for marginal cropland. Energy crops include fast-growing trees, perennial grasses, and annual grasses, all capable of collecting solar energy and storing it as cellulosic compounds for several months to several years. Once solar energy is thus captured, it can be converted by means of currently available technologies to a wide variety of energy products such as electricity, heat, liquid transportation fuels, and gases. Experimental results from field trials have generated optimism that selected and improved energy crops, established on cropland with moderate limitations for crop production, have the potential for producing high yields. Both trees and grasses, under very good growing conditions, have produced average annual yields of 20 to 40 dry Mg ha{sup {minus}1} year{sup {minus}1}. Sorghum has shown especially high yields in the Midwest. Hybrids between sugar cane and its wild relatives, called energy cane, have yielded as much as 50 dry Mg ha{sup {minus}1} year{sup {minus}1} in Florida. These experimental results demonstrate that some species have the genetic potential for very rapid growth rates. New wood energy crop systems developed by the Department of Energy`s Biofuels Feedstock Development Program offer, at a minimum, a 100% increase in biomass production rates over the 2 to 4 Mg ha{sup {minus}1} year{sup {minus}1} of dry leafless woody biomass produced by most natural forest systems. Experimental data indicate that short rotation wood crops established on cropland with moderate limitations are capable of producing biomass yields of 8--20 dry Mg ha{sup {minus}1} year{sup {minus}1} with a present average about 11 dry Mg ha{sup {minus}1} year{sup {minus}1} on typical cropland sites.
Potential reduction of DSN uplink energy cost
NASA Technical Reports Server (NTRS)
Dolinsky, S.; Degroot, N. F.
1982-01-01
DSN Earth stations typically transmit more power than that required to meet minimum specifications for uplink performance. Energy and cost savings that could result from matching the uplink power to the amount required for specified performance are studied. The Galileo mission was selected as a case study. Although substantial reduction in transmitted energy is possible, potential savings in source energy (oil or electricity) savings are much less. This is because of the rising inefficiency in power conversion and radio frequency power generation that accompanies reduced power output.
Potential energy studies on silane dimers
NASA Astrophysics Data System (ADS)
Mahlanen, Riina; Pakkanen, Tapani A.
2011-04-01
Intermolecular interactions and parameters for use in MD studies of large molecule systems have earlier been determined for hydrocarbons, carbon tetrahalides and sulfur. The paper reports a model representing nonbonding interactions between silane molecules, which were examined in the same way as hydrocarbons in an earlier (neopentane, isopropane, propane, and ethane) study. Intermolecular potentials were determined for 11 combinations of silane compound pairs (silane SiH 4, disilane Si 2H 6, trisilane Si 3H 8, isotetrasilane Si 4H 10 and neopentasilane Si 5H 12) with MP2/aug(df)-6-311G ∗ab initio calculations. The most stable dimer configurations were identified. With use of the modified Morse potential model to represent the interactions, 276 new potential energy surfaces were generated for silane dimers. Separate and generic pair potentials were calculated for the silanes. The pair potentials can be used in MD studies of silanes.
NASA Astrophysics Data System (ADS)
Agrawal, P. M.; Raff, L. M.
1981-09-01
The effect of potential surface topography upon elastic and inelastic scattering has been investigated using the infinite-order sudden approximation (IOSA) to compute total differential and integral cross sections, state-to-state cross sections, and the relaxation rates of depleted levels in the (He, CO2) and (3He, CO2) rigid rotor systems on six different potential energy surfaces that include three surfaces obtained from electrom-gas type calculations, two ab initio SCF surfaces, and one surface (KPK) obtained by empirical fitting to the measured total differential cross section. It is found that the total elastic, inelastic, and differential cross sections are very sensitive to the long-range attractive terms in the potential, and the differential cross sections are also found to be significantly dependent upon the topography of the repulsive regions of the surface. Consequently, differential cross sections are very sensitive probes of surface topography and should be the data of choice for purpose of empirical adjustment of a surface. In contrast, the relaxation rates of a depleted rotational level are found to be insensitive to the details of the surface. In addition, the relaxation rate and total inelastic cross section out of state j are found to be almost independent of the particular j state involved. Consideration of the microscopic details leading to these results suggests that similar behavior will be observed in other systems that are nearly classical with closely spaced energy levels. Of the surfaces investigated, the KPK surface gives results that are in closest agreement with experiment. The electron-gas and SCF surfaces, when augmented by a van der Waals attractive term, give similar results which are almost as good as those obtained on the empirically adjusted KPK surface. This suggests that a reasonable surface for a closed-shell system can be obtained by either procedure. The IOSA results for the relaxation rates and total inelastic cross
NASA Astrophysics Data System (ADS)
Reutov, V. F.; Dmitriev, S. N.; Sokhatskii, A. S.; Zaluzhnyi, A. G.
2016-01-01
We analyze the effect of irradiation by heavy ions on the formation of blisters on the silicon surface preliminarily ion-doped with hydrogen. An attempt is made at differentiating inelastic and elastic processes of interaction between ions and Si atoms using bombardment of the sample with high-energy charged particles through a bent absorbing filter by varying the radiation doses and the energy of bombarding Xe ions. It is found that irrespective of specific ionization energy losses of heavy ions, the blister formation is completely suppressed in the zone of the inelastic interaction during postradiation annealing. Conversely, stimulated development of hydrogen porosity takes place at the same time in the zone of elastic interaction, which is manifested in the form of blisters and flaking.
Potential energy savings from aquifer thermal energy storage
Anderson, M.R.; Weijo, R.O.
1988-07-01
Pacific Northwest Laboratory researchers developed an aggregate-level model to estimate the short- and long-term potential energy savings from using aquifer thermal storage (ATES) in the United States. The objectives of this effort were to (1) develop a basis from which to recommend whether heat or chill ATES should receive future research focus and (2) determine which market sector (residential, commercial, or industrial) offers the largest potential energy savings from ATES. Information was collected on the proportion of US land area suitable for ATES applications. The economic feasibility of ATES applications was then evaluated. The potential energy savings from ATES applications was calculated. Characteristic energy use in the residential, commercial, and industrial sectors was examined, as was the relationship between waste heat production and consumption by industrial end-users. These analyses provided the basis for two main conclusions: heat ATES applications offer higher potential for energy savings than do chill ATES applications; and the industrial sector can achieve the highest potential energy savings for the large consumption markets. Based on these findings, it is recommended that future ATES research and development efforts be directed toward heat ATES applications in the industrial sector. 11 refs., 6 figs., 9 tabs.
Elastic energy storage in the shoulder and the evolution of high-speed throwing in Homo
Roach, Neil T.; Venkadesan, Madhusudhan; Rainbow, Michael J.; Lieberman, Daniel E.
2013-01-01
Although some primates, including chimpanzees, throw objects occasionally1,2, only humans regularly throw projectiles with high speed and great accuracy. Darwin noted that humans’ unique throwing abilities, made possible when bipedalism emancipated the arms, enabled foragers to effectively hunt using projectiles3. However, there has been little consideration of the evolution of throwing in the years since Darwin made his observations, in part because of a lack of evidence on when, how, and why hominins evolved the ability to generate high-speed throws4-8. Here, we show using experimental studies of throwers that human throwing capabilities largely result from several derived anatomical features that enable elastic energy storage and release at the shoulder. These features first appear together approximately two million years ago in the species Homo erectus. Given archaeological evidence that suggests hunting activity intensified around this time9, we conclude that selection for throwing in order to hunt likely played an important role in the evolution of the human genus. PMID:23803849
Elastic energy storage in the shoulder and the evolution of high-speed throwing in Homo.
Roach, Neil T; Venkadesan, Madhusudhan; Rainbow, Michael J; Lieberman, Daniel E
2013-06-27
Some primates, including chimpanzees, throw objects occasionally, but only humans regularly throw projectiles with high speed and accuracy. Darwin noted that the unique throwing abilities of humans, which were made possible when bipedalism emancipated the arms, enabled foragers to hunt effectively using projectiles. However, there has been little consideration of the evolution of throwing in the years since Darwin made his observations, in part because of a lack of evidence of when, how and why hominins evolved the ability to generate high-speed throws. Here we use experimental studies of humans throwing projectiles to show that our throwing capabilities largely result from several derived anatomical features that enable elastic energy storage and release at the shoulder. These features first appear together approximately 2 million years ago in the species Homo erectus. Taking into consideration archaeological evidence suggesting that hunting activity intensified around this time, we conclude that selection for throwing as a means to hunt probably had an important role in the evolution of the genus Homo. PMID:23803849
NASA Astrophysics Data System (ADS)
Bencherif, K.; Yakoubi, A.; Della, N.; Miloud Abid, O.; Khachai, H.; Ahmed, R.; Khenata, R.; Bin Omran, S.; Gupta, S. K.; Murtaza, G.
2016-07-01
Semi-Heusler materials are intensively investigated due to their potential use in diverse applications, such as in spintronics and green energy applications. In this work, we employ the density functional theory to calculate the structural, electronic, elastic, thermal and optical properties of the VRuSb, NbRuSb and TaRuSb semi-Heusler compounds. The calculated results for the lattice constants, bulk moduli and their corresponding pressure derivative values are in fairly good agreement with previous works. In addition, besides the local density approximation, the modified Becke-Johnson exchange potential is also used to improve the value of the band gaps. The bonding nature reveals a mixture of covalent and ionic bonding character of the VRuSb, NbRuSb and TaRuSb compounds. Furthermore, the elastic constants ( C ij) and the related elastic moduli confirm their stability in the cubic phase and demonstrate their ductile nature. We also analyze the influence of the pressure and temperature on the primitive cell volume, heat capacity, volume expansion coefficient, and Debye temperature of the semi-Heusler compounds. Additionally, we investigate the optical properties, such as the complex dielectric function, refractive index, reflectivity, and the energy loss function.
NASA Astrophysics Data System (ADS)
Bencherif, K.; Yakoubi, A.; Della, N.; Miloud Abid, O.; Khachai, H.; Ahmed, R.; Khenata, R.; Bin Omran, S.; Gupta, S. K.; Murtaza, G.
2016-04-01
Semi-Heusler materials are intensively investigated due to their potential use in diverse applications, such as in spintronics and green energy applications. In this work, we employ the density functional theory to calculate the structural, electronic, elastic, thermal and optical properties of the VRuSb, NbRuSb and TaRuSb semi-Heusler compounds. The calculated results for the lattice constants, bulk moduli and their corresponding pressure derivative values are in fairly good agreement with previous works. In addition, besides the local density approximation, the modified Becke-Johnson exchange potential is also used to improve the value of the band gaps. The bonding nature reveals a mixture of covalent and ionic bonding character of the VRuSb, NbRuSb and TaRuSb compounds. Furthermore, the elastic constants (C ij) and the related elastic moduli confirm their stability in the cubic phase and demonstrate their ductile nature. We also analyze the influence of the pressure and temperature on the primitive cell volume, heat capacity, volume expansion coefficient, and Debye temperature of the semi-Heusler compounds. Additionally, we investigate the optical properties, such as the complex dielectric function, refractive index, reflectivity, and the energy loss function.
Gils, H.J.; Friedman, E.; Rebel, H.; Buschmann, J.; Zagromski, S.; Klewe-Nebenius, H.; Neumann, B.; Pesl, R.; Bechtold, G.
1980-04-01
Differential cross sections for elastic scattering of 104 MeV ..cap alpha.. particles from /sup 40,42,44,48/Ca have been measured with high angular accuracy over a wide angular range. Optical model analysis based on a Fourier-Bessel description of the real potential reveals isotopic differences which, in particular for /sup 48/Ca, indicate a small neutron skin.
How well do we understand quasi-elastic reactions at energies close to the barrier
Rehm, K.E.
1988-01-01
In collisions between too heavy nuclei a wide spectrum of different reaction modes is observed covering the range from simple processes like elastic scattering to complicated multistep transfers and fusion. On the theoretical side heavy ion reactions are usually analyzed using models that were developed first for light ion induced reactions: the optical model for elastic scattering and the DWBA for more inelastic processes like transfer and inelastic scattering. Some of the assumptions going into these approximations, however, are not valid for heavy ion induced reactions. The region between fusion and quasi-elastic reactions is not well understood theoretically. This region is associated with deep inelastic collisions, which are complex multiparticle reactions involving transfer of several protons and neutrons. In this paper, the author discusses to what extent experiments in the field of quasi-elastic scattering are understood within the framework of various theoretical models and in what areas more work is needed.
Potential energy hypersurface and molecular flexibility
NASA Astrophysics Data System (ADS)
Koča, Jaroslav
1993-02-01
The molecular flexibility phenomenon is discussed from the conformational potential energy(hyper) surface (PES) point of view. Flexibility is considered as a product of three terms: thermodynamic, kinetic and geometrical. Several expressions characterizing absolute and relative molecular flexibility are introduced, depending on a subspace studied of the entire conformational space, energy level E of PES as well as absolute temperature. Results obtained by programs DAISY, CICADA and PANIC in conjunction with molecular mechanics program MMX for flexibility analysis of isopentane, 2,2-dimethylpentane and isohexane molecules are introduced.
Free energy perturbation method for measuring elastic constants of liquid crystals
NASA Astrophysics Data System (ADS)
Joshi, Abhijeet
There is considerable interest in designing liquid crystals capable of yielding specific morphological responses in confined environments, including capillaries and droplets. The morphology of a liquid crystal is largely dictated by the elastic constants, which are difficult to measure and are only available for a handful of substances. In this work, a first-principles based method is proposed to calculate the Frank elastic constants of nematic liquid crystals directly from atomistic models. These include the standard splay, twist and bend deformations, and the often-ignored but important saddle-splay constant. The proposed method is validated using a well-studied Gay-Berne(3,5,2,1) model; we examine the effects of temperature and system size on the elastic constants in the nematic and smectic phases. We find that our measurements of splay, twist, and bend elastic constants are consistent with previous estimates for the nematic phase. We further outline the implementation of our approach for the saddle-splay elastic constant, and find it to have a value at the limits of the Ericksen inequalities. We then proceed to report results for the elastic constants commonly known liquid crystals namely 4-pentyl-4'-cynobiphenyl (5CB) using atomistic model, and show that the values predicted by our approach are consistent with a subset of the available but limited experimental literature.
Computed potential energy surfaces for chemical reactions
NASA Technical Reports Server (NTRS)
Walch, Stephen P.
1994-01-01
Quantum mechanical methods have been used to compute potential energy surfaces for chemical reactions. The reactions studied were among those believed to be important to the NASP and HSR programs and included the recombination of two H atoms with several different third bodies; the reactions in the thermal Zeldovich mechanism; the reactions of H atom with O2, N2, and NO; reactions involved in the thermal De-NO(x) process; and the reaction of CH(squared Pi) with N2 (leading to 'prompt NO'). These potential energy surfaces have been used to compute reaction rate constants and rates of unimolecular decomposition. An additional application was the calculation of transport properties of gases using a semiclassical approximation (and in the case of interactions involving hydrogen inclusion of quantum mechanical effects).
Computed potential energy surfaces for chemical reactions
NASA Technical Reports Server (NTRS)
Walch, Stephen P.
1990-01-01
The objective was to obtain accurate potential energy surfaces (PES's) for a number of reactions which are important in the H/N/O combustion process. The interest in this is centered around the design of the SCRAM jet engine for the National Aerospace Plane (NASP), which was envisioned as an air-breathing hydrogen-burning vehicle capable of reaching velocities as large as Mach 25. Preliminary studies indicated that the supersonic flow in the combustor region of the scram jet engine required accurate reaction rate data for reactions in the H/N/O system, some of which was not readily available from experiment. The most important class of combustion reactions from the standpoint of the NASP project are radical recombinaton reactions, since these reactions result in most of the heat release in the combustion process. Theoretical characterizations of the potential energy surfaces for these reactions are presented and discussed.
NASA Astrophysics Data System (ADS)
Lagogianni, A. E.; Krausser, J.; Evenson, Z.; Samwer, K.; Zaccone, A.
2016-08-01
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an effective Ashcroft–Born–Mayer interatomic potential based on Boltzmann inversion of the radial distribution function g (r) and on fitting the short-range part of g (r) by means of a simple power-law approximation. The power exponent λ represents a global repulsion steepness parameter. A scaling relation between atomic connectivity and packing fraction Z∼ {φ1+λ} is derived. This relation is then implemented in a lattice-dynamical model for the high-frequency shear modulus where the attractive anharmonic part of the effective interaction is taken into account through the thermal expansion coefficient which maps the ϕ-dependence into a T-dependence. The shear modulus as a function of temperature calculated in this way is then used within the cooperative shear model of the glass transition to yield the viscosity of the supercooled melt as a double-exponential function of T across the entire Angell plot. The model, which has only one adjustable parameter (the characteristic atomic volume for high-frequency cage deformation) is tested against new experimental data of ZrCu alloys and provides an excellent one-parameter description of the viscosity down to the glass transition temperature.
NASA Astrophysics Data System (ADS)
You, Taehoon; Kim, Yunsung; Kim, Jina; Lee, Jaehong; Jung, Byungwook; Moon, Jungtak; Choe, Heeman
2009-03-01
Despite being expensive and time consuming, board-level drop testing has been widely used to assess the drop or impact resistance of the solder joints in handheld microelectronic devices, such as cellphones and personal digital assistants (PDAs). In this study, a new test method, which is much simpler and quicker, is proposed. The method involves evaluating the elastic strain energy and relating it to the impact resistance of the solder joint by considering the Young’s modulus of the bulk solder and the fracture stress of the solder joint during a ball pull test at high strain rates. The results show that solder joints can be ranked in order of descending elastic strain energy as follows: Sn-37Pb, Sn-1Ag-0.5Cu, Sn-3Ag-0.5Cu, and Sn-4Ag-0.5Cu. This order is consistent with the actual drop performances of the samples.
Potential Energy Curves of Hydrogen Fluoride
NASA Technical Reports Server (NTRS)
Fallon, Robert J.; Vanderslice, Joseph T.; Mason, Edward A.
1960-01-01
Potential energy curves for the X(sup 1)sigma+ and V(sup 1)sigma+ states of HF and DF have been calculated by the Rydberg-Klein-Rees method. The results calculated from the different sets of data for HF and DF are found to be in very good agreement. The theoretical results of Karo are compared to the experimental results obtained here.
Energy Savings Potential of Radiative Cooling Technologies
Fernandez, Nicholas; Wang, Weimin; Alvine, Kyle J.; Katipamula, Srinivas
2015-11-30
Pacific Northwest National Laboratory (PNNL), with funding from the U.S. Department of Energy’s (DOE’s) Building Technologies Program (BTP), conducted a study to estimate, through simulation, the potential cooling energy savings that could be achieved through novel approaches to capturing free radiative cooling in buildings, particularly photonic ‘selective emittance’ materials. This report documents the results of that study.
Convective Available Potential Energy of World Ocean
NASA Astrophysics Data System (ADS)
Su, Z.; Ingersoll, A. P.; Thompson, A. F.
2012-12-01
Here, for the first time, we propose the concept of Ocean Convective Available Potential Energy (OCAPE), which is the maximum kinetic energy (KE) per unit seawater mass achievable by ocean convection. OCAPE occurs through a different mechanism from atmospheric CAPE, and involves the interplay of temperature and salinity on the equation of state of seawater. The thermobaric effect, which arises because the thermal coefficient of expansion increases with depth, is an important ingredient of OCAPE. We develop an accurate algorithm to calculate the OCAPE for a given temperature and salinity profile. We then validate our calculation of OCAPE by comparing it with the conversion of OCAPE to KE in a 2-D numerical model. We propose that OCAPE is an important energy source of ocean deep convection and contributes to deep water formation. OCAPE, like Atmospheric CAPE, can help predict deep convection and may also provide a useful constraint for modelling deep convection in ocean GCMs. We plot the global distribution of OCAPE using data from the World Ocean Atlas 2009 (WOA09) and see many important features. These include large values of OCAPE in the Labrador, Greenland, Weddell and Mediterranean Seas, which are consistent with our present observations and understanding, but also identify some new features like the OCAPE pattern in the Antarctic Circumpolar Current (ACC). We propose that the diagnosis of OCAPE can improve our understanding of global patterns of ocean convection and deep water formation as well as ocean stratification, the meridional overturning circulation and mixed layer processes. The background of this work is briefly introduced as below. Open-ocean deep convection can significantly modify water properties both at the ocean surface and throughout the water column (Gordon 1982). Open-ocean convection is also an important mechanism for Ocean Deep Water formation and the transport of heat, freshwater and nutrient (Marshall and Schott 1999). Open
Tol, Paul J.J.; Hogervorst, Wim; Vassen, Wim
2004-07-01
The kinetic theory of evaporative cooling developed by Luiten et al. [Phys. Rev. A 53, 381 (1996)] is extended to include the dependence of the elastic scattering cross section on collision energy. We introduce a simple approximation by which the transition range between the low-temperature limit and the unitarity limit is described as well. Applying the modified theory to our measurements on evaporative cooling of metastable helium, we find a scattering length a=10(5) nm.
Anderson, E. K.; Boadle, R. A.; Machacek, J. R.; Makochekanwa, C.; Sullivan, J. P.; Chiari, L.; Buckman, S. J.; Brunger, M. J.; Garcia, G.; Blanco, F.; Ingolfsson, O.
2014-07-21
Measurements of the grand total and total positronium formation cross sections for positron scattering from uracil have been performed for energies between 1 and 180 eV, using a trap-based beam apparatus. Angular, quasi-elastic differential cross section measurements at 1, 3, 5, 10, and 20 eV are also presented and discussed. These measurements are compared to existing experimental results and theoretical calculations, including our own calculations using a variant of the independent atom approach.
The Wind Energy Potential of Iceland
NASA Astrophysics Data System (ADS)
Nawri, Nikolai; Nína Petersen, Guðrún; Bjornsson, Halldór; Hahmann, Andrea N.; Jónasson, Kristján; Bay Hasager, Charlotte; Clausen, Niels-Erik
2014-05-01
While Iceland has an abundant wind energy resource, its use for electrical power production has so far been limited. Electricity in Iceland is generated primarily from hydro- and geothermal sources, and adding wind energy has so far not been considered practical or even necessary. However, wind energy is becoming a more viable option, as opportunities for new hydro- or geothermal power installations become limited. In order to obtain an estimate of the wind energy potential of Iceland, a wind atlas has been developed as part of the joint Nordic project 'Improved Forecast of Wind, Waves and Icing' (IceWind). Downscaling simulations performed with the Weather Research and Forecasting (WRF) model were used to determine the large-scale wind energy potential of Iceland. Local wind speed distributions are represented by Weibull statistics. The shape parameter across Iceland varies between 1.2 and 3.6, with the lowest values indicative of near-exponential distributions at sheltered locations, and the highest values indicative of normal distributions at exposed locations in winter. Compared with summer, average power density in winter is increased throughout Iceland by a factor of 2.0 - 5.5. In any season, there are also considerable spatial differences in average wind power density. Relative to the average value within 10 km of the coast, power density across Iceland varies between 50 - 250%, excluding glaciers, or between 300 - 1500 W m-2 at 50 m above ground level in winter. At intermediate elevations of 500 - 1000 m above mean sea level, power density is independent of the distance to the coast. In addition to seasonal and spatial variability, differences in average wind speed and power density also exist for different wind directions. Along the coast in winter, power density of onshore winds is higher by 100 - 700 W m-2 than that of offshore winds. The regions with the highest average wind speeds are impractical for wind farms, due to the distances from road
Potential energy surfaces of Polonium isotopes
NASA Astrophysics Data System (ADS)
Nerlo-Pomorska, B.; Pomorski, K.; Schmitt, C.; Bartel, J.
2015-11-01
The evolution of the potential energy landscape is analysed in detail for ten even-even polonium isotopes in the mass range 188\\lt A\\lt 220 as obtained within the macroscopic-microscopic approach, relying on the Lublin-Strasbourg drop model and the Yukawa-folded single-particle energies for calculating the microscopic shell and pairing corrections. A variant of the modified Funny-Hills nuclear shape parametrization is used to efficiently map possible fission paths. The approach explains the main features of the fragment partition as measured in low-energy fission along the polonium chain. The latter lies in a transitional region of the nuclear chart, and will be essential to consistently understand the evolution of fission properties from neutron-deficient mercury to heavy actinides. The ability of our method to predict fission observables over such an extended region looks promising.
Non-contacting transfer of elastic energy into explosive simulants for dynamic property estimation
Greeney, Nathan S.; Strovink, Kurt M.; Scales, John A.; Jessop, Andrew M.; Stuart Bolton, J.; Watson, Christopher C.; Adams, Douglas E.
2014-05-21
Non-contacting acoustical methods can be used to extract various material properties of liquid or solid samples without disturbing the sample. These methods are useful even in the lab since they do not involve coupling anything to the sample, which might change its properties. A forteriori, when dealing with potentially dangerous materials, non-contacting methods may be the only safe solutions to mechanical characterization. Here, we show examples of using laser ultrasound to remotely insonify and monitor the elastic properties of several granular explosive simulants. The relatively short near-infrared laser pulse length (a few hundred nanoseconds) provides a broad-band thermoelastic source of ultrasound; we intentionally stay in the thermoelastic regime to avoid damaging the material. Then, we use a scanning laser Doppler vibrometer to measure the ultrasonic response of the sample. LDV technology is well established and very sensitive at ultrasonic frequencies; atomic level motions can be measured with modest averaging. The resulting impulse response of the explosive simulant can be analyzed to determine decay rates and wave speeds, with stiffer samples showing faster wave speeds and lower decay rates. On the other hand, at the low-frequency end of the acoustic spectrum, we use an electronically phased array to couple into a freely suspended sample's normal modes. This allows us to gently heat up the sample (3 °C in just under 5 min, as shown with a thermal IR camera). In addition to the practical interest in making the sample more chemically visible through heat, these two measurements (low-frequency resonant excitation vs high-frequency wave propagation) bracket the frequency range of acoustic non-destructive evaluation methods available.
Elastic scattering of {sup 16}O+{sup 16}O at energies E/A between 5 and 8 MeV
Nicoli, M. P.; Haas, F.; Freeman, R. M.; Aissaoui, N.; Beck, C.; Elanique, A.; Nouicer, R.; Morsad, A.; Szilner, S.; Basrak, Z.
1999-12-01
The elastic scattering of {sup 16}O+{sup 16}O has been measured at nine energies between E{sub lab}=75 and 124 MeV. The data cover up to 100 degree sign in the c.m. and can be described in terms of phenomenological and folding model potentials which reproduce the main features observed. In agreement with studies at higher energies in this and similar systems, refractive effects are present in the angular distributions at all energies. In particular, the passage of Airy minima through 90 degree sign at E{sub c.m.}=40, 47.5, and 62 MeV explains the deep minima observed in the excitation function. The real part of the optical potential is found to vary very little with energy over the studied interval, but the imaginary part shows a rapid change in its shape at incident energy about 90 MeV. Nonetheless, the energy dependence of the volume integral of the real and imaginary parts is in agreement with dispersion relation predictions. (c) 1999 The American Physical Society.
Coda wave interferometry and the equilibration of energy in elastic media.
Snieder, Roel
2002-10-01
Multiple-scattered waves usually are not useful for creating deterministic images of the interior of elastic media. However, in many applications, one is not so much interested in making a deterministic image as in detecting changes in the medium. Cases in point are volcano monitoring and measuring the change in hydrocarbon reservoirs during enhanced recovery operations. Coda wave interferometry is a technique wherein changes in multiple-scattered waves are used as a diagnostic for minute changes in the medium. This technique was developed previously for scalar waves; however, the application of this technique in geophysics, nondestructive testing, and other applications where elastic waves are used, requires the extension of the existing formulation of coda wave interferometry to include conversions between P and S waves. Here, a simple model for the equilibration between P and S waves incorporates into the theory of coda wave interferometry the mode conversions that are inherent to multiply scattered elastic waves. PMID:12443357
Synergy of elastic and inelastic energy loss on ion track formation in SrTiO_{3}
Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H.; Sachan, Ritesh; Chisholm, Matthew F.; Liu, Peng; Xue, Haizhou; Jin, Ke; Zhang, Yanwen
2015-01-12
While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontium titanate (SrTiO_{3}), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties.
Synergy of elastic and inelastic energy loss on ion track formation in SrTiO3
Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H.; Sachan, Ritesh; Chisholm, Matthew F.; Liu, Peng; Xue, Haizhou; Jin, Ke; Zhang, Yanwen
2015-01-12
While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontiummore » titanate (SrTiO3), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties.« less
So, W.Y.; Hong, S.W.; Kim, B.T.; Udagawa, T.
2005-12-15
Based on the extended optical model approach in which the polarization potential is decomposed into direct reaction (DR) and fusion parts, simultaneous {chi}{sup 2} analyses are performed for elastic scattering, DR, and fusion cross section data for the {sup 9}Be+{sup 208}Pb system at near-Coulomb-barrier energies. Similar {chi}{sup 2} analyses are also performed by taking into account only the elastic scattering and fusion data as was previously done by the present authors, and the results are compared with those of the full analysis including the DR cross section data as well. We find that the analyses using only elastic scattering and fusion data can produce very consistent and reliable predictions of cross sections, particularly when the DR cross section data are incomplete. Discussions are also given on the results obtained from similar analyses made earlier for the {sup 9}Be+{sup 209}Bi system.
The wind energy potential of western Greece
Katsoulis, B.D.; Metaxas, D.A. )
1992-12-01
In this study wind data were used to determine the monthly and annual variations of the wind at 13 meterological stations in western Greece. An analysis of the available wind data for the Ionian Sea islands and the western coasts of Greece is carried out to ascertain its potential for wind energy development. The effect of the limited number of daily observations available on the accuracy of the mean wind speed and annual wind energy estimates is ascertained. The wind speed and direction distributions are represented with Weibull functions. Besides, a mass-consistent numerical mesoscale model was used to give an overview of the wind prospecting and siting problem, and an example of its use for Corfu (Kerkira), an island in the Ionian Sea, is given. The comparison of the accuracy of the stimulation results versus measured wind at an available site is quite encouraging even though it cannot be conclusive since only one station is available.
Computed potential energy surfaces for chemical reactions
NASA Technical Reports Server (NTRS)
Walch, Stephen P.; Levin, Eugene
1993-01-01
A new global potential energy surface (PES) is being generated for O(P-3) + H2 yields OH + H. This surface is being fit using the rotated Morse oscillator method, which was used to fit the previous POL-CI surface. The new surface is expected to be more accurate and also includes a much more complete sampling of bent geometries. A new study has been undertaken of the reaction N + O2 yields NO + O. The new studies have focused on the region of the surface near a possible minimum corresponding to the peroxy form of NOO. A large portion of the PES for this second reaction has been mapped out. Since state to state cross sections for the reaction are important in the chemistry of high temperature air, these studies will probably be extended to permit generation of a new global potential for reaction.
Theoretical studies of potential energy surfaces.
Harding, L. B.
2006-01-01
The goal of this program is to calculate accurate potential energy surfaces for both reactive and nonreactive systems. To do this the electronic Schroedinger equation must be solved. Our approach starts with multiconfiguration self-consistent field (MCSCF) reference wave functions. These reference wavefunctions are designed to be sufficiently flexible to accurately describe changes in electronic structure over a broad range of geometries. Dynamical electron correlation effects are included via multireference, singles and doubles configuration interaction (MRCI) calculations. With this approach, we are able to provide chemically useful predictions of the energetics for many systems. A second aspect of this program is the development of techniques to fit multi-dimensional potential surfaces to convenient, global, analytic functions that can then be used in dynamics calculations.
The Effect of VMoS3 Point Defect on the Elastic Properties of Monolayer MoS2 with REBO Potentials
NASA Astrophysics Data System (ADS)
Li, Minglin; Wan, Yaling; Tu, Liping; Yang, Yingchao; Lou, Jun
2016-03-01
Structural defects in monolayer molybdenum disulfide (MoS2) have significant influence on the electric, optical, thermal, chemical, and mechanical properties of the material. Among all the types of structural defects of the chemical vapor phase-grown monolayer MoS2, the VMoS3 point defect (a vacancy complex of Mo and three nearby S atoms) is another type of defect preferentially generated by the extended electron irradiation. Here, using the classical molecular dynamics simulation with reactive empirical bond-order (REBO) potential, we first investigate the effect of VMoS3 point defects on the elastic properties of monolayer MoS2 sheets. Under the constrained uniaxial tensile test, the elastic properties of monolayer MoS2 sheets containing VMoS3 vacancies with defect fraction varying from 0.01 to 0.1 are obtained based on the plane anisotropic constitutive relations of the material. It is found that the increase of VMoS3 vacancy concentration leads to the noticeable decrease in the elastic modulus but has a slight effect on Poisson's ratio. The maximum decrease of the elastic modulus is up to 25 %. Increasing the ambient temperature from 10 K to 500 K has trivial influences on the elastic modulus and Poisson's ratio for the monolayer MoS2 without defect and with 5 % VMoS3 vacancies. However, an anomalous parabolic relationship between the elastic modulus and the temperature is found in the monolayer MoS2 containing 0.1 % VMoS3 vacancy, bringing a crucial and fundamental issue to the application of monolayer MoS2 with defects.
The Effect of VMoS3 Point Defect on the Elastic Properties of Monolayer MoS2 with REBO Potentials.
Li, Minglin; Wan, Yaling; Tu, Liping; Yang, Yingchao; Lou, Jun
2016-12-01
Structural defects in monolayer molybdenum disulfide (MoS2) have significant influence on the electric, optical, thermal, chemical, and mechanical properties of the material. Among all the types of structural defects of the chemical vapor phase-grown monolayer MoS2, the VMoS3 point defect (a vacancy complex of Mo and three nearby S atoms) is another type of defect preferentially generated by the extended electron irradiation. Here, using the classical molecular dynamics simulation with reactive empirical bond-order (REBO) potential, we first investigate the effect of VMoS3 point defects on the elastic properties of monolayer MoS2 sheets. Under the constrained uniaxial tensile test, the elastic properties of monolayer MoS2 sheets containing VMoS3 vacancies with defect fraction varying from 0.01 to 0.1 are obtained based on the plane anisotropic constitutive relations of the material. It is found that the increase of VMoS3 vacancy concentration leads to the noticeable decrease in the elastic modulus but has a slight effect on Poisson's ratio. The maximum decrease of the elastic modulus is up to 25 %. Increasing the ambient temperature from 10 K to 500 K has trivial influences on the elastic modulus and Poisson's ratio for the monolayer MoS2 without defect and with 5 % VMoS3 vacancies. However, an anomalous parabolic relationship between the elastic modulus and the temperature is found in the monolayer MoS2 containing 0.1 % VMoS3 vacancy, bringing a crucial and fundamental issue to the application of monolayer MoS2 with defects. PMID:27000023
Theoretical studies of potential energy surfaces
Harding, L.B.
1993-12-01
The goal of this program is to calculate accurate potential energy surfaces (PES) for both reactive and nonreactive systems. To do this the electronic Schrodinger equation must be solved. Our approach to this problem starts with multiconfiguration self-consistent field (MCSCF) reference wavefunctions. These reference wavefunctions are designed to be sufficiently flexible to accurately describe changes in electronic structure over a broad range of geometries. Electron correlation effects are included via multireference, singles and doubles configuration interaction (MRSDCI) calculations. With this approach, the authors are able to provide useful predictions of the energetics for a broad range of systems.
Elster, C.; Gloeckle, W.
1997-03-01
Transition potentials for elastic p-d scattering and the coupled processes p+{sup 3}He {r_arrow} p+{sup 3}He and n+{sup 3}He {r_arrow} d+d are derived in the Faddeev-Yakubovsky framework with special emphasis on leading order terms, which are expected to be valid at intermediate energies. In addition, equations for the fragmentations {sup 3}He(p,ppp)n and {sup 3}He(p,pp)d are derived within the same framework. Again leading order terms for intermediate energies are considered. {copyright} {ital 1997} {ital The American Physical Society}