• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.864-880
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• 2003

A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

• 천문학회지
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• 제36권3호
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• pp.89-95
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• 2003

Observations of dark matter dominated dwarf and low surface brightness disk galaxies favor density profiles with a flat-density core, while cold dark matter (CDM) N-body simulations form halos with central cusps, instead. This apparent discrepancy has motivated a re-examination of the microscopic nature of the dark matter in order to explain the observed halo profiles, including the suggestion that CDM has a non-gravitational self-interaction. We study the formation and evolution of self-interacting dark matter (SIDM) halos. We find analytical, fully cosmological similarity solutions for their dynamics, which take proper account of the collisional interaction of SIDM particles, based on a fluid approximation derived from the Boltzmann equation. The SIDM particles scatter each other elastically, which results in an effective thermal conductivity that heats the halo core and flattens its density profile. These similarity solutions are relevant to galactic and cluster halo formation in the CDM model. We assume that the local density maximum which serves as the progenitor of the halo has an initial mass profile ${\delta}M / M {\propto} M^{-{\epsilon}$, as in the familiar secondary infall model. If $\epsilon$ = 1/6, SIDM halos will evolve self-similarly, with a cold, supersonic infall which is terminated by a strong accretion shock. Different solutions arise for different values of the dimensionless collisionality parameter, $Q {\equiv}{\sigma}p_br_s$, where $\sigma$ is the SIDM particle scattering cross section per unit mass, $p_b$ is the cosmic mean density, and $r_s$ is the shock radius. For all these solutions, a flat-density, isothermal core is present which grows in size as a fixed fraction of $r_s$. We find two different regimes for these solutions: 1) for $Q < Q_{th}({\simeq} 7.35{\times} 10^{-4}$), the core density decreases and core size increases as Q increases; 2) for $Q > Q_{th}$, the core density increases and core size decreases as Q increases. Our similarity solutions are in good agreement with previous results of N-body simulation of SIDM halos, which correspond to the low-Q regime, for which SIDM halo profiles match the observed galactic rotation curves if $Q {\~} [8.4 {\times}10^{-4} - 4.9 {\times} 10^{-2}]Q_{th}$, or ${\sigma}{\~} [0.56 - 5.6] cm^2g{-1}$. These similarity solutions also show that, as $Q {\to}{\infty}$, the central density acquires a singular profile, in agreement with some earlier simulation results which approximated the effects of SIDM collisionality by considering an ordinary fluid without conductivity, i.e. the limit of mean free path ${\lambda}_{mfp}{\to} 0$. The intermediate regime where $Q {\~} [18.6 - 231]Q_{th}$ or ${\sigma}{\~} [1.2{\times}10^4 - 2.7{\times}10^4] cm^2g{-1}$, for which we find flat-density cores comparable to those of the low-Q solutions preferred to make SIDM halos match halo observations, has not previously been identified. Further study of this regime is warranted.