890 research outputs found

    Optimized Verlet-like algorithms for molecular dynamics simulations

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    New explicit velocity- and position-Verlet-like algorithms of the second order are proposed to integrate the equations of motion in many-body systems. The algorithms are derived on the basis of an extended decomposition scheme at the presence of a free parameter. The nonzero value for this parameter is obtained by reducing the influence of truncated terms to a minimum. As a result, the new algorithms appear to be more efficient than the original Verlet versions which correspond to a particular case when the introduced parameter is equal to zero. Like the original versions, the proposed counterparts are symplectic and time reversible, but lead to an improved accuracy in the generated solutions at the same overall computational costs. The advantages of the new algorithms are demonstrated in molecular dynamics simulations of a Lennard-Jones fluid.Comment: 5 pages, 2 figures; submitted to Phys. Rev.

    On the construction of high-order force gradient algorithms for integration of motion in classical and quantum systems

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    A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic algorithms are first derived up to the eighth order by direct decompositions of exponential propagators and further collected using an advanced composition scheme to obtain the algorithms of higher orders. Contrary to the scheme by Chin and Kidwell [Phys. Rev. E 62, 8746 (2000)], where high-order algorithms are introduced by standard iterations of a force-gradient integrator of order four, the present method allows to reduce the total number of expensive force and its gradient evaluations to a minimum. At the same time, the precision of the integration increases significantly, especially with increasing the order of the generated schemes. The algorithms are tested in molecular dynamics and celestial mechanics simulations. It is shown, in particular, that the efficiency of the new fourth-order-based algorithms is better approximately in factors 5 to 1000 for orders 4 to 12, respectively. The results corresponding to sixth- and eighth-order-based composition schemes are also presented up to the sixteenth order. For orders 14 and 16, such highly precise schemes, at considerably smaller computational costs, allow to reduce unphysical deviations in the total energy up in 100 000 times with respect to those of the standard fourth-order-based iteration approach.Comment: 23 pages, 2 figures; submitted to Phys. Rev.

    Dynamical Properties and Plasmon Dispersion of a Weakly Degenerate Correlated One-Component Plasma

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    Classical Molecular Dynamics (MD) simulations for a one-component plasma (OCP) are presented. Quantum effects are included in the form of the Kelbg potential. Results for the dynamical structure factor are compared with the Vlasov and RPA (random phase approximation) theories. The influence of the coupling parameter Γ\Gamma, degeneracy parameter ρΛ3\rho \Lambda^3 and the form of the pair interaction on the optical plasmon dispersion is investigated. An improved analytical approximation for the dispersion of Langmuir waves is presented.Comment: 23 pages, includes 7 ps/eps-figures and 2 table

    Spontaneous alloying in binary metal microclusters - A molecular dynamics study -

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    Microcanonical molecular dynamics study of the spontaneous alloying(SA), which is a manifestation of fast atomic diffusion in a nano-sized metal cluster, is done in terms of a simple two dimensional binary Morse model. Important features observed by Yasuda and Mori are well reproduced in our simulation. The temperature dependence and size dependence of the SA phenomena are extensively explored by examining long time dynamics. The dominant role of negative heat of solution in completing the SA is also discussed. We point out that a presence of melting surface induces the diffusion of core atoms even if they are solid-like. In other words, the {\it surface melting} at substantially low temperature plays a key role in attaining the SA.Comment: 15 pages, 12 fgures, Submitted to Phys.Rev.

    Study of solid 4He in two dimensions. The issue of zero-point defects and study of confined crystal

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    Defects are believed to play a fundamental role in the supersolid state of 4He. We report on studies by exact Quantum Monte Carlo (QMC) simulations at zero temperature of the properties of solid 4He in presence of many vacancies, up to 30 in two dimensions (2D). In all studied cases the crystalline order is stable at least as long as the concentration of vacancies is below 2.5%. In the 2D system for a small number, n_v, of vacancies such defects can be identified in the crystalline lattice and are strongly correlated with an attractive interaction. On the contrary when n_v~10 vacancies in the relaxed system disappear and in their place one finds dislocations and a revival of the Bose-Einstein condensation. Thus, should zero-point motion defects be present in solid 4He, such defects would be dislocations and not vacancies, at least in 2D. In order to avoid using periodic boundary conditions we have studied the exact ground state of solid 4He confined in a circular region by an external potential. We find that defects tend to be localized in an interfacial region of width of about 15 A. Our computation allows to put as upper bound limit to zero--point defects the concentration 0.003 in the 2D system close to melting density.Comment: 17 pages, accepted for publication in J. Low Temp. Phys., Special Issue on Supersolid

    WILLS - RIGHT OF CREDITORS OF TESTAMENTARY DONEE TO SET ASIDE HIS RENUNCIATION - RIGHT OF SURVIVING SPOUSE TO SHARE IN INTESTATE PROPERTY AFTER ELECTING TO TAKE UNDER WILL IN LIEU OF HER DISTRIBUTIVE SHARE

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    Testator left all his real and personal property to his wife for life, and the remainder to his son and daughter in equal shares. The widow elected to take under the will in lieu of dower and other legal rights in the estate. The daughter renounced any right under the will, and seven months later filed a petition for voluntary bankruptcy. Her trustee in bankruptcy instituted this suit in equity to annul the renunciation. Held, the daughter had the right to file an unconditional disclaimer of all benefits granted her under the will and her creditors cannot complain thereof; and secondly, the widow having accepted the provisions in the will in lieu of all other legal rights in the estate is not entitled to share in the part of the property passing by intestacy because of the rejection of benefits by another beneficiary. McGarry v. Mathis, (Iowa 1938) 282 N. W. 786

    Discovery of Bright Galactic R Coronae Borealis and DY Persei Variables: Rare Gems Mined from ACVS

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    We present the results of a machine-learning (ML) based search for new R Coronae Borealis (RCB) stars and DY Persei-like stars (DYPers) in the Galaxy using cataloged light curves from the All-Sky Automated Survey (ASAS) Catalog of Variable Stars (ACVS). RCB stars - a rare class of hydrogen-deficient carbon-rich supergiants - are of great interest owing to the insights they can provide on the late stages of stellar evolution. DYPers are possibly the low-temperature, low-luminosity analogs to the RCB phenomenon, though additional examples are needed to fully establish this connection. While RCB stars and DYPers are traditionally identified by epochs of extreme dimming that occur without regularity, the ML search framework more fully captures the richness and diversity of their photometric behavior. We demonstrate that our ML method can use newly discovered RCB stars to identify additional candidates within the same data set. Our search yields 15 candidates that we consider likely RCB stars/DYPers: new spectroscopic observations confirm that four of these candidates are RCB stars and four are DYPers. Our discovery of four new DYPers increases the number of known Galactic DYPers from two to six; noteworthy is that one of the new DYPers has a measured parallax and is m ~ 7 mag, making it the brightest known DYPer to date. Future observations of these new DYPers should prove instrumental in establishing the RCB connection. We consider these results, derived from a machine-learned probabilistic classification catalog, as an important proof-of-concept for the efficient discovery of rare sources with time-domain surveys.Comment: 18 pages, 2 new figures, accepted for publication in Ap

    MORTGAGES - LIMITATION OF ACTIONS - DEFICIENCY DECREE ON BASIS OF COVENANT IN MORTGAGE WHEN ACTION ON NOTE BARRED

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    Defendant executed and delivered to plaintiff a promissory note and a mortgage securing it. The mortgage contained a covenant to pay $10,000 (the principal amount of the note) according to the terms of a certain promissory note bearing even date herewith. Upon foreclosure it was held, three judges dissenting, that the mortgagee was entitled to a deficiency decree notwithstanding action on the note was barred by the statute of limitations. Guardian Depositors Corporation of Detroit v. Savage, 287 Mich. 193,283 N. W. 26 (1938)

    WORKMEN\u27S COMPENSATION - LEAD POISONING CONTRACTED BY AN AUTOMOBILE MECHANIC NOT AN OCCUPATIONAL DISEASE - CANCER CONTRACTED BY BATTERY PLANT EMPLOYEE AN OCCUPATIONAL DISEASE

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    Plaintiff contracted lead poisoning through the gradual daily inhalation of poisonous fumes from a gasoline torch used in his occupation as an automobile mechanic. If the employer had provided another type of gasoline, it appeared that plaintiff\u27s disability would have been avoided. Held, that under these circumstances lead poisoning was not an occupational disease, and plaintiff should be compensated under the Iowa Workmen\u27s Compensation Law. Black v. Creston Auto Co., (Iowa, 1938) 281 N. W. 189
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