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Results for “VIRIAL THEOREM”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Ground-state-energy theorem and the virial theorem of a many-particle system in d dimensions

The equivalence of Pauli's ground-state-energy theorem and the virial theorem is demonstrated for a many-particle system interacting with an interparticle potential in d dimensions at zero and finite temperatures. Pauli's theorem has an integral form in which the variable is the coupling constant e-squared, while the virial theorem has a differential form in which the variable has the number density n. The essence of the equivalence proof consists in changing the variable from n to e-squared by noting the dependence of the excess free energy on dimensionless quantities for zero-temperature and classical cases.

Iwamoto, N.↗
DOE OSTI2014

The virial theorem for the polarizable continuum model

The electronic virial theorem is extended to molecular systems within the framework of the Polarizable Continuum Model (PCM) to describe solvation effects. The theorem is given in the form of a relation involving the components of the energy (kinetic and potential) of a molecular solute and its electrostatic properties (potential and field) at the boundary of the cavity in the continuum medium. The virial theorem is also derived in the presence of the Pauli repulsion component of the solute-solvent interaction. Furthermore, it is shown that these forms of the PCM virial theorem may be related to the virial theorem of more simple systems as a molecule in the presence of fixed point charges, and as an atom in a spherical box with confining potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The virial theorem and the ground state problem in polaron theory

The virial theorem for the translation-invariant theory of a polaron [3] is discussed. It is shown that, in [3], Tulub made a nonoptimal choice of variational parameters in the strong-coupling limit, which led to the violation of the virial relations. The introduction of an additional variational parameter to the test function reduces the polaron energy and makes it possible to satisfy the relations of the virial theorem for a strong-coupling polaron (the Pekar 1: 2: 3: 4 theorem).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Density functional, density matrix functional, and the virial theorem

On the basis of the virial theorem for finite motion of interacting electrons in a static external field, it is shown that ground-state energy is determined evidently by the one-particle density matrix. The exact expression for ground-state energy is found and can be applied to various problems, in particular, in studying the electronic structure of atoms, molecules, and other bound complexes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

STABILITY OF GAS CLOUDS IN GALACTIC NUCLEI: AN EXTENDED VIRIAL THEOREM

Cold gas entering the central 1–10{sup 2} pc of a galaxy fragments and condenses into clouds. The stability of the clouds determines whether they will be turned into stars or can be delivered to the central supermassive black hole (SMBH) to turn on an active galactic nucleus (AGN). The conventional criteria to assess the stability of these clouds, such as the Jeans criterion and Roche (or tidal) limit, are insufficient here, because they assume the dominance of self-gravity in binding a cloud, and neglect external agents, such as pressure and tidal forces, which are common in galactic nuclei. We formulate a new scheme for judging this stability. We first revisit the conventional Virial theorem, taking into account an external pressure, to identify the correct range of masses that lead to stable clouds. We then extend the theorem to further include an external tidal field, which is equally crucial for the stability in the region of our interest—in dense star clusters, around SMBHs. We apply our extended Virial theorem to find new solutions to controversial problems, namely, the stability of the gas clumps in AGN tori, the circum-nuclear disk in the Galactic Center, and the central molecular zone of the Milky Way. The masses we derive for these structures are orders of magnitude smaller than the commonly used Virial masses (equivalent to the Jeans mass). Moreover, we prove that these clumps are stable, contrary to what one would naively deduce from the Roche (tidal) limit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

The virial theorem and the dark matter problem in hybrid metric-Palatini gravity

Hybrid metric-Palatini gravity is a recently proposed theory, consisting of the superposition of the metric Einstein-Hilbert Lagrangian with an f(R) term constructed à la Palatini. The theory predicts the existence of a long-range scalar field, which passes the Solar System observational constraints, even if the scalar field is very light, and modifies the cosmological and galactic dynamics. Thus, the theory opens new possibilities to approach, in the same theoretical framework, the problems of both dark energy and dark matter. In this work, we consider the generalized virial theorem in the scalar-tensor representation of the hybrid metric-Palatini gravity. More specifically, taking into account the relativistic collisionless Boltzmann equation, we show that the supplementary geometric terms in the gravitational field equations provide an effective contribution to the gravitational potential energy. We show that the total virial mass is proportional to the effective mass associated with the new terms generated by the effective scalar field, and the baryonic mass. In addition to this, we also consider astrophysical applications of the model and show that the model predicts that the mass associated to the scalar field and its effects extend beyond the virial radius of the clusters of galaxies. In the context of the galaxy cluster velocity dispersion profiles predicted by the hybrid metric-Palatini model, the generalized virial theorem can be an efficient tool in observationally testing the viability of this class of generalized gravity models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Virial theorem and Gibbs thermodynamic potential for Coulomb systems

Using the grand canonical ensemble and the virial theorem, we show that the Gibbs thermodynamic potential of the non-relativistic system of charged particles is uniquely defined by single-particle Green functions of electrons and nuclei. This result is valid beyond the perturbation theory with respect to the interparticle interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Virial theorem analysis of the structure and stability of magnetized clouds

The tensor virial theorem is used to analyze the structure and stability of self-gravitating, magnetized spheroids surrounded by a low-density medium with pressure and magnetic field. Analytical expressions are developed for the effect of a weak field and calculate critical states when the effect of the field is arbitrarily strong, comparing the results with full magnetohydrostatic calculations. This analysis suggests that a magnetic field may prevent gravitational collapse but may also be destabilizing, depending on its degree of concentration within the cloud.

Zweibel, Ellen G.↗
NASA NTRS1990

Virial theorem analysis of the structure and stability of magnetized clouds

The tensor virial theorem is used to analyze the structure and stability of self-gravitating, magnetized spheroids surrounded by a low-density medium with pressure and magnetic field. Analytical expressions are developed for the effect of a weak field and calculate critical states when the effect of the field is arbitrarily strong, comparing the results with full magnetohydrostatic calculations. This analysis suggests that a magnetic field may prevent gravitational collapse but may also be destabilizing, depending on its degree of concentration within the cloud.

Zweibel, Ellen G.↗
NASA NTRS1992

On the virial theorem for turbulent molecular clouds

An Eulerian, rather than Lagrangian, form of the virial theorem is derived for a turbulent, magnetized cloud embedded in a steady, turbulent, low-density intercloud medium. The role of turbulent pressure in cloud confinement is clarified, and it is shown that, in the absence of a magnetic field, a cloud can be at a somewhat lower pressure than the intercloud medium. Simple forms for the magnetic term in the virial equation are obtained. Radiation pressure is considered; its effects are relatively small under average conditions in the interstellar medium. Under typical conditions, external pressure and magnetic fields are shown to have a relatively small effect on virial estimates of the mass of self-gravitating clouds.

Mckee, Christopher F.↗
DOE OSTI2015

The virial theorem in Eddington-Born-Infeld gravity

We consider the possibility that the Eddington-Born-Infeld (EBI) modified gravity provides an alternative explanation for the mass discrepancy in clusters of galaxies. For this purpose we derive the modified Einstein field equations, finding an additional 'geometrical mass' term which provides an effective contribution to the gravitational binding energy. Using some approximations and assumptions for weak gravitational fields, and taking into account the collisionless relativistic Boltzmann equation, we derive a generalized version of the virial theorem in the framework of EBI gravity. We show that the 'geometrical mass' term may account for the well known virial mass discrepancy in clusters of galaxies. We also derive the velocity dispersion relation for galaxies in the clusters, which could provide an efficient method for testing EBI gravity from astrophysical observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Local Group timing argument and virial theorem mass estimators from cosmological simulations

ABSTRACT We identify Local Group (LG) analogues in the IllustrisTNG cosmological simulation, and use these to study two-mass estimators for the LG: One based on the timing argument (TA) and one based on the virial theorem (VT). Including updated measurements of the Milky Way-M31 tangential velocity and the cosmological constant, we show that the TA mass estimator slightly overestimates the true median LG-mass, though the ratio of the TA to the true mass is consistent at the approximate 90 per cent c.l.. These are in broad agreement with previous results using dark matter-only simulations. We show that the VT estimator better estimates the true LG-mass, though there is a larger scatter in the virial mass to true mass ratio relative to the corresponding ratio for the TA. We attribute the broader scatter in the VT estimator to several factors, including the predominantly radial orbits for LG satellite galaxies, which differs from the VT assumption of isotropic orbits. With the systematic uncertainties we derive, the updated measurements of the LG mass at 90 per cent c.l. are $4.75_{-2.41}^{+2.22} \times 10^{12}$ M⊙ from the TA and $2.0_{-1.5}^{+2.1} \times 10^{12}$ M⊙ from the VT. We consider the LMC’s effect on the TA and VT LG mass estimates, and do not find exact LMC–MW–M31 analogues in the Illustris simulations. However, in LG simulations with satellite companions as massive as the LMC, we find that the effect on the TA and VT estimators is small, though we need further studies on a larger sample of LMC–MW–M31 systems to confirm these results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Validity of virial theorem in all-electron mixed basis density functional, Hartree–Fock, and GW calculations

In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree–Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The virial theorem for the smoothly and sharply, penetrably and impenetrably confined hydrogen atom

Confinement of atoms by finite or infinite boxes containing sharp (discontinuous) jumps has been studied since the fourth decade of the previous century, modelling the effect of external pressure. Smooth (continuous) counterparts of such confining potentials, that depend on a parameter such that in an appropriate limit they coincide with the sharp confining potentials, are investigated, with an emphasis on deriving the corresponding virial and Hellmann-Feynman theorems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Hellmann–Feynman connection for the relative Fisher information

The (i) reciprocity relations for the relative Fisher information (RFI, hereafter) and (ii) a generalized RFI–Euler theorem are self-consistently derived from the Hellmann–Feynman theorem. These new reciprocity relations generalize the RFI–Euler theorem and constitute the basis for building up a mathematical Legendre transform structure (LTS, hereafter), akin to that of thermodynamics, that underlies the RFI scenario. This demonstrates the possibility of translating the entire mathematical structure of thermodynamics into a RFI-based theoretical framework. Virial theorems play a prominent role in this endeavor, as a Schrödinger-like equation can be associated to the RFI. Lagrange multipliers are determined invoking the RFI–LTS link and the quantum mechanical virial theorem. An appropriate ansatz allows for the inference of probability density functions (pdf’s, hereafter) and energy-eigenvalues of the above mentioned Schrödinger-like equation. The energy-eigenvalues obtained here via inference are benchmarked against established theoretical and numerical results. A principled theoretical basis to reconstruct the RFI-framework from the FIM framework is established. Numerical examples for exemplary cases are provided. - Highlights: • Legendre transform structure for the RFI is obtained with the Hellmann–Feynman theorem. • Inference of the energy-eigenvalues of the SWE-like equation for the RFI is accomplished. • Basis for reconstruction of the RFI framework from the FIM-case is established. • Substantial qualitative and quantitative distinctions with prior studies are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗