183 resultados para nuclear potential energy surface


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Within the framework of the improved isospin-dependent quantum molecular dynamics model, the dynamics of pion emission in heavy-ion collisions in the region of 1A GeV energies as a probe of nuclear symmetry energy at suprasaturation densities is investigated systematically. The total pion multiplicities and the pi(-)/pi(+) yields are calculated for selected Skyrme parameters SkP, SLy6, Ska, and SIII and also for the cases of different stiffness of symmetry energy with the parameter SLy6. The influence of Coulomb potential, symmetry energy, and in-medium pion potential on the pion production is investigated and compared to each other by analyzing the distributions of transverse momentum and longitudinal rapidity and also the excitation functions of the total pion and the pi(-)/pi(+) ratio. The directed flow, elliptic flow, and polar-angle distributions are calculated for the cases of different collision centralities and also the various stiffnesses of the symmetry energies. A comparison of the calculations with the available experimental data is performed.

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Correlations between the behavior of the nuclear symmetry energy, the neutron skins, and the percentage of energy-weighted sum rule (EWSR) exhausted by the pygmy dipole resonance (PDR) in Ni-68 and Sn-132 are investigated by using different random phase approximation (RPA) models for the dipole response, based on a representative set of Skyrme effective forces plus meson-exchange effective Lagrangians. A comparison with the experimental data has allowed us to constrain the value of the derivative of the symmetry energy at saturation. The neutron skin radius is deduced under this constraint.

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The alpha-decay half-lives of nuclei in the ground states and Isomeric states have been calculated within the WKB approximation and Royer's formulas. The barrier in the quasimolecular shape path is determined within a generalized liquid drop model (GLDM). in which the centrifugal potential energy has been introduced to study the unfavored a-decay The agreement between the calculated results and experimental data indicates the reliability of studying alpha-decay of isomeric states with the generalized liquid drop model We find that their is no significant difference of preformation probability between Isomeric states and the corresponding ground states generally in favored alpha-decay Additionally. we extended Royer's formulas by taking account of the role of centrifugal harrier to study the unfavored alpha-decay, and some predicts oil the a decay half-lives of Isomers are made Finally. the effects of angular momontum transfer and Q(alpha) on alpha-decay half-life have been discussed Crown Copyright (C) 2009 Published by Elsevier B.V. All rights reserved

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Collisions involving Sn-112 and Sn-124 nuclei have been calculated with the ImQMD transport model in order to place constraints on the density dependences of the nuclear symmetry energy. Consistent constraints on the symmetry energy at sub-saturation density have been obtained by comparing these transport calculations to measurements of isospin diffusion and to the ratios of neutron and proton spectra. New isospin diffusion results from E/A = 35 MeV are also presented.

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The equilibrium properties and potential energy curves of the ground electronic state of CaF have been calculated using the Brueckner Doubles calculation with a triples contribution added [BD(T)] and the gradient-corrected density functional theory with three-parameter exact exchange mixing (B3LY-P) method, with 6-311 + G*,6-311 + G(2df,2pd) and 6-311 + G(3df,3pd) basis sets. All the computational PECs are fitted to analytical potential energy functions using Murrell-Sorbie, Huxley and Tang-Toennies potentials. Based on this, the spectroscopic parameters are calculated, and then compared with some other theoretical and experimental data. (C) 2004 Elsevier B.V. All rights reserved.

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Molybdenum phosphide (MoP) and supported molybdenum phosphide (MoP/gamma-Al2O3) have been prepared by the temperature-programmed reduction method. The surface sites of the MoP/gamma-Al2O3 catalyst were characterized by carbon monoxide (CO) adsorption with in situ Fourier transform infrared (FT-IR) spectroscopy. A characteristic IR band at 2037 cm(-1) was observed on the MoP/gamma-Al2O3 that was reduced at 973 K. This band is attributed to linearly adsorbed CO on Mo atoms of the MoP surface and is similar to IR bands at 2040-2060 cm(-1), which correspond to CO that has been adsorbed on some noble metals, such as platinum, palladium, and rhodium. Density functional calculations of the structure of molybdenum phosphides, as well as CO chemisorption on the MoP(001) surface, have also been studied on periodic surface models, using the generalized gradient approximation (GGA) for the exchange-correlation functional. The results show that the chemisorption of CO on MoP occurred mainly on top of molybdenum, because the bonding of CO requires a localized mininum potential energy. The adsorption energy obtained is DeltaH(ads) approximate to -2.18 eV, and the vibrational frequency of CO is 2047 cm-1, which is in good agreement with the IR result of CO chernisorption on MoP/gamma-Al2O3.

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The main modes of interannal variabilities of thermocline and sea surface wind stress in the tropical Pacific and their interactions are investigated, which show the following results. (1) The thermocline anomalies in the tropical Pacific have a zonal dipole pattern with 160 W as its axis and a meridional seesaw pattern with 6-8 degrees N as its transverse axis. The meridional oscillation has a phase lag of about 90 to the zonal oscillation, both oscillations get together to form the El Nino/La Nina cycle, which behaves as a mixed layer water oscillates anticlockwise within the tropical Pacific basin between equator and 12 degrees N. (2) There are two main patterns of wind stress anomalies in the tropical Pacific, of which the first component caused by trade wind anomaly is characterized by the zonal wind stress anomalies and its corresponding divergences field in the equatorial Pacific, and the abnormal cross- equatorial flow wind stress and its corresponding divergence field, which has a sign opposite to that of the equatorial region, in the off-equator of the tropical North Pacific, and the second component represents the wind stress anomalies and corresponding divergences caused by the ITCZ anomaly. (3) The trade winds anomaly plays a decisive role in the strength and phase transition of the ENSO cycle, which results in the sea level tilting, provides an initial potential energy to the mixed layer water oscillation, and causes the opposite thermocline displacement between the west side and east side of the equator and also between the equator and 12 degrees N of the North Pacific basin, therefore determines the amplitude and route for ENSO cycle. The ITCZ anomaly has some effects on the phase transition. (4) The thermal anomaly of the tropical western Pacific causes the wind stress anomaly and extends eastward along the equator accompanied with the mixed layer water oscillation in the equatorial Pacific, which causes the trade winds anomaly and produces the anomalous wind stress and the corresponding divergence in favor to conduce the oscillation, which in turn intensifies the oscillation. The coupled system of ocean-atmosphere interactions and the inertia gravity of the mixed layer water oscillation provide together a phase-switching mechanism and interannual memory for the ENSO cycle. In conclusion, the ENSO cycle essentially is an inertial oscillation of the mixed layer water induced by both the trade winds anomaly and the coupled ocean-atmosphere interaction in the tropical Pacific basin between the equator and 12 degrees N. When the force produced by the coupled ocean-atmosphere interaction is larger than or equal to the resistance caused by the mixed layer water oscillation, the oscillation will be stronger or maintain as it is, while when the force is less than the resistance, the oscillation will be weaker, even break.

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Rockmass movement due to mining steep metallic ore body is a considerable question in the surface movement and deformation issue caused by underground mining. Research on coal mining induced rockmass movement and its prediction problem have been performed for a long-term, and have achieved great progress at home and abroad. However, the rockmass movement caused by mining steep metal mine is distinctivly different from coal seam mining.. Existing surface movement laws and deformation prediction methods are not applicable to the rockmass movement caused by mining steep metal mine. So far the home and abroad research to this theory is presently at an early stage, and there isn’t mature theory or practical prediction method, which made a great impact on production. In this paper, the research object—Jinchuan nickel mine, which is typical steep metal mine, characterized by complex geological conditions, developed faults, cracked rockmass, high geostress, and prominent engineering stability problems. In addition, backfill mining method is used in the mine, the features of rockmass movement caused by this mining method are also different from other mining methods. In this paper, the laws of rock mass movement, deformation and destroy mechanism, and its prediction were analyzed based on the collection of data, detailed in-sit engineering geology survey, ground movement monitoring by GPS, theoretical analysis and numerical simulation. According to the GPS monitoring of ground surface movement, ground subsidence basin with apparent asymmetry is developing, the influence scope is larger in the upper faulted block than in the lower faulted block, and the center of ground movement is moving along the upper faulted block direction with increasing depth of mining. During the past half and seven years, the largest settlement has amounted to 1287.5mm, and corresponding horizontal displacement has amounted to 664.6mm. On the ground surface, two fissure belts show a fast-growing trend of closure. To sum up, mining steep metal mine with backfill method also exist the same serious problem of rockmass movement hazards. Fault, as a low intensity zone in rockmass, when it located within the region of mining influence, the change of potential energy mainly consumed in fault deformation associated with rockmass structure surface friction, which is the essence of displacement and stress barrier effects characterized by fault rupture zone. when steep fault located in the tensile deformation region incurred by underground excavation, no matter excavation in hangingwall or in footwall of the fault, there will be additional tensile stress on the vertical fault plane and decrease in the shear strength, and always showing characteristics of normal fault slip, which is the main reason of fault escarpment appeared on the ground surface. The No.14 shaft deformation and failure is triggered by fault activation, which showed with sidewall move, rupture, and break down features as the main form of a concentrated expression of fault effects. The size and orientation of principal stress in surrounding rock changed regularly with mining; therefore, roadway deformation and damage at different stages have different characteristics and distribution models. During the process of mining, low-intensity weak structures surface always showed the most obvious reaction, accompany with surface normal stress decrease and shear strength bring down, to some extent, occurred with relative slide and deformation. Meanwhile, the impact of mining is a relatively long process, making the structure surface effect of roadway deformation and damage more prominent than others under the influence of mining. Roadway surrounding rockmass deformation caused by the change of strain energy density field after excavation mainly belongs to elastic deformation, and the correspondented damage mainly belongs to brittle rupture, in this circumstance, surrounding rockmass will not appear large deformation. The large deformation of surrounding rockmass can only be the deformation associated with structure surface friction or the plastic deformation of itself, which mainly caused by the permanent self-weigh volume force,and long-term effect of mining led to the durability of this deformation Good pitting fill effect and supporting effect of backfill, as well as the friction of rockmass structure surface lead to obvious macro-rockmass movement with long-lag characteristics. In addition, the loss of original intensity and new structure surface arisen increased flexibility in rockmass and fill deformation in structure surface, which made the time required for rockmass potential energy translate into deformation work associated with plastic deformation and structure surface friction consumed much, and to a large extent, eliminated the time needed to do those plastic work during repeated mining, all of which are the fundamental reason of rockmass movement aftereffect more significant than before. Mining steep deposits in high tectonic stress area and in gravity stress area have different movement laws and deformation mechanism. The steep deposit, when the vertical size of the mining areas is smaller than the horizontal size of the orebody, no matter mining in gravity stress area or in high tectonic stress area, they have similar features of ground movement with mining horizontal orebody; contrarily, there will appear double settlement centers on the ground surface under the condition of mining in high tectonic stress area, while there will always be a single center under the other condition. Meanwhile the ground movement lever, scale of mining influence area and macro features of ground movement, deformation and fracture are also different from mining in gravity stress area, and the fundamental reason lies in the impact of orientation of the maximum principal stress on rock movement features in in-site rock stress field. When mining thick and steep deposit, the ground surface movement and deformation characteristic curves are significantly different from excavating the horizontal ore bed and thin steep deposit. According to the features of rockmass movement rate, the development process of mining-induced rockmass movement is divided into three stages: raising stage, steadily stage and gradually decay stage. Considering the actual exploitation situation, GPS monitoring results and macro-characteristics of surface movement, the current subsidence pattern of Jinchuan No.2 mine is in the early stage of development. Based on analysis of surface movement rate, surface subsidence rate increase rapidly when mining in double lever at the same time, and reach its peak until the exploitation model ended. When double lever mining translate into single, production decreased, surface subsidence rate suddenly start to reduce and maintain a relatively low value, and the largest subsidence center will slowly move along with the hangingwall ore body direction with increasing depth of mining, at the same time, the scope and extent of subsidence in footwall ore body will begin magnify, and a sub-settlement center will appear on ground surface, accompanied with the development and closure trend of ground fissure, the surrounding rockmass of shaft and roadway will be confronted to more frequent and severe deformation and failure, and which will have a negative impact on the overall stability of No.2 mine mining. On the premise of continuity of rockmass movement, gray system model can be used in ground rockmass movement prediction for good results. Under the condition of backfill mining step by step, the loose effect of compact status of the hard, broken rockmass led to lower energy release rate, although surrounding rockmass has high elastic energy, loose and damage occurred in the horizontal ore body, which made the mining process safety without any large geological hazards. During the period of mining the horizontal ore body to end, in view of its special “residual support role”, there will be no large scale rockmass movement hazards. Since ground surface movement mainly related to the intensity of mining speed and backfill effect, on the premise of constant mining speed, during the period of mining the horizontal ore body to end, the rate of ground surface rockmass movement and deformation won’t have sudden change.

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With the improving of mantle convection theory, the developing of computing method and increasing of the measurement data, we can numerically simulate more clearly about the effects on some geophysical observed phenomenons such as the global heat flow and global lithospheric stress field in the Earth's surface caused by mantle convection, which is the primary mechanism for the transport of heat from the Earth's deep interior to its surface and the underlying force mechanism of dynamics in the Earth.Chapter 1 reviews the historical background and present research state of mantle convection theory.In Chapter 2, the basic conception of thermal convection and the basic theory about mantle flow.The effects on generation and distribution of global lithospheric stres s field induced by mantle flow are the subject of Chapter 3. Mantle convection causes normal stress and tangential stresses at the bottom of the lithosphere, and then the sublithospheric stress field induces the lithospheric deformation as sixrface force and results in the stress field within the lithosphere. The simulation shows that the agreement between predictions and observations is good in most regions. Most of subduction zones and continental collisions are under compressive. While ocean ridges, such as the east Pacific ridge, the Atlantic ridge and the east African rift valley, are under tensile. And most of the hotspots preferentially occur in regions where calculated stress is tensile. The calculated directions of the most compressive principal horizontal stress are largely in accord with that of the observation except for some regions such as the NW-Pacifie subduction zone and Qinghai-Tibet Plateau, in which the directions of the most compressive principal horizontal stress are different. It shows that the mantel flow plays an important role in causing or affecting the large-scale stress field within the lithosphere.The global heat flow simulation based on a kinematic model of mantle convection is given in Chapter 4. Mantle convection velocities are calculated based on the internal loading theory at first, the velocity field is used as the input to solve the thermal problem. Results show that calculated depth derivatives of the near surface temperature are closely correlated to the observed surface heat flow pattern. Higher heat flow values around midocean ridge systems can be reproduced very well. The predicted average temperature as a function of function of depth reveals that there are two thermal boundary layers, one is close to the surface and another is close to the core-mantle boundary, the rest of the mantle is nearly isothermal. Although, in most of the mantle, advection dominates the heat transfer, the conductive heat transfer is still locally important in the boundary layers and plays an important role for the surface heat flow pattern. The existence of surface plates is responsible for the long wavelength surface heat flow pattern.In Chapter 5, the effects on present-day crustal movement in the China Mainland resulted from the mantle convection are introduced. Using a dynamic method, we present a quantitative model for the present-day crustal movement in China. We consider not only the effect of the India-Eurasia collision, the gravitational potential energy difference of the Tibet Plateau, but also the contribution of the shear traction on the bottom of the lithosphere induced by the global mantle convection. The comparison between our results and the velocity field obtained from the GPS observation shows that our model satisfactorily reproduces the general picture of crustal deformation in China. Numerical modeling results reveal that the stress field on the base of the lithosphere induced by the mantle flow is probably a considerable factor that causes the movement and deformation of the lithosphere in continental China with its eflfcet focuing on the Eastern China A numerical research on the small-scale convection with variable viscosity in the upper mantle is introduced in Chapter 6. Based on a two-dimensional model, small-scale convection in the mantle-lithosphere system with variable viscosity is researched by using of finite element method. Variation of viscosity in exponential form with temperature is considered in this paper The results show that if viscosity is strongly temperature-dependent, the upper part of the system does not take a share in the convection and a stagnant lid, which is identified as lithosphere, is formed on the top of system because of low temperature and high viscosity. The calculated surface heat flow, topography and gravity anomaly are associated well with the convection pattern, namely, the regions with high heat flow and uplift correspond to the upwelling flow, and vice versa.In Chapter 7, we give a brief of future research subject: The inversion of lateral density heterogeneity in the mantle by minimizing the viscous dissipation.

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Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress) in excellent agreement with ``exact'' fully atomistic results.

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Potential energy can be approximated by ‘‘pair-functional’’ potentials which is composed of pair potentials and embedding energy. Pair potentials are grouped according to discrete directions of atomic bonds such that each group is represented by an orientational component. Meanwhile, another kind of component, the volumetric one is derived from embedding energy. Damage and fracture are the changing and breaking of atomic bonds at the most fundamental level and have been reflected by the changing of these components’ properties. Therefore, material is treated as a component assembly, and its constitutive equations are formed by means of assembling these two kinds of components’ response functions. This material model is referred to as the component assembling model. Theoretical analysis and numerical computing indicate that the proposed model has the capacity of reproducing some results satisfactorily, with the advantages of physical explicitness and intrinsic induced anisotropy, etc.

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Based on the sub-region generalized variational principle, a sub-region mixed version of the newly-developed semi-analytical 'finite element method of lines' (FEMOL) is proposed in this paper for accurate and efficient computation of stress intensity factors (SIFs) of two-dimensional notches/cracks. The circular regions surrounding notch/crack tips are taken as the complementary energy region in which a number of leading terms of singular solutions for stresses are used, with the sought SIFs being among the unknown coefficients. The rest of the arbitrary domain is taken as the potential energy region in which FEMOL is applied to obtain approximate displacements. A mixed system of ordinary differential equations (ODEs) and algebraic equations is derived via the sub-region generalized variational principle. A singularity removal technique that eliminates the stress parameters from the mixed equation system eventually yields a standard FEMOL ODE system, the solution of which is no longer singular and is simply and efficiently obtained using a standard general-purpose ODE solver. A number of numerical examples, including bi-material notches/cracks in anti-plane and plane elasticity, are given to show the generally excellent performance of the proposed method.

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Material potential energy is well approximated by '' pair-functional '' potentials. During calculating potential energy, the orientational and volumetric components have been derived from pair potentials and embedding energy, respectively. Slip results in plastic deformation, and slip component has been proposed accordingly. Material is treated as a component assembly, and its elastic, plastic and damage properties are reflected by different components respectively. Material constitutive relations are formed by means of assembling these three kinds of components. Anisotropy has been incorporated intrinsically via the concept of component. Theoretical and numerical results indicate that this method has the capacity of reproducing some results satisfactorily, with the advantages of physical explicitness, etc. (c) 2007 Elsevier Ltd. All rights reserved.

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A systematic study on the available data of 26 metallic glasses shows that there is an intrinsic correlation between fragility of a liquid and bulk modulus of its glass. The underlying physics can be rationalized within the formalism of potential energy landscape thermodynamics. It is surprising to find that the linear correlation between the fragility and the bulk-shear modulus ratio exists strictly at either absolute zero temperature or very high frequency. Further analyses indicate that a real flow event in bulk metallic glasses is shear dominant, and fragility is in inverse proportion to shear-induced bulk dilatation. Finally, extension of these findings to nonmetallic glasses is discussed.

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The potential energy in materials is well approximated by pair functional which is composed of pair potentials and embedding energy. During calculating material potential energy, the orientational component and the volumetric component are derived respectively from pair potentials and embedding energy. The sum of energy of all these two kinds of components is the material potential. No matter how microstructures change, damage or fracture, at the most level, they are all the changing and breaking atomic bonds. As an abstract of atomic bonds, these components change their stiffness during damaging. Material constitutive equations have been formulated by means of assembling all components' response functions. This material model is called the component assembling model. Theoretical analysis and numerical computing indicate that the proposed model has the capacity of reproducing some results satisfactorily, with the advantages of great conceptual simplicity, physical explicitness, and intrinsic induced anisotropy, etc.