Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions

Accurate models of alkali and halide ions in aqueous solution are necessary for computer simulations of a broad variety of systems. Previous efforts to develop ion force fields have generally focused on reproducing experimental measurements of aqueous solution properties such as hydration free energies and ion-water distribution functions. This dependency limits transferability of the resulting parameters because of the variety and known limitations of water models. We present a solvent-independent approach to calibrating ion parameters based exclusively on crystal lattice properties. Our procedure relies on minimization of lattice sums to calculate lattice energies and interionic distances instead of equilibrium ensemble simulations of dense fluids. The gain in computational efficiency enables simultaneous optimization of all parameters for Li+, Na+, K+, Rb+, Cs+, F-, Cl-, Br-, and I- subject to constraints that enforce consistency with periodic table trends. We demonstrate the method by presenting lattice-derived parameters for the primitive model and the Lennard-Jones model with Lorentz-Berthelot mixing rules. The resulting parameters successfully reproduce the lattice properties used to derive them and are free from the influence of any water model. To assess the transferability of the Lennard-Jones parameters to aqueous systems, we used them to estimate hydration free energies and found that the results were in quantitative agreement with experimentally measured values. These lattice-derived parameters are applicable in simulations where coupling of ion parameters to a particular solvent model is undesirable. The simplicity and low computational demands of the calibration procedure make it suitable for parametrization of crystallizable ions in a variety of force fields.Comment: 9 pages, 5 table

Bosonic Operator Methods for the Quark Model

Quark model matrix elements can be computed using bosonic operators and the holomorphic representation for the harmonic oscillator. The technique is illustrated for normal and exotic baryons for an arbitrary number of colors. The computations are much simpler than those using conventional quark model wavefunctions

Critical Analysis of Baryon Masses and Sigma-Terms in Heavy Baryon Chiral Perturbation Theory

We present an analysis of the octet baryon masses and the $\pi N$ and $KN$ $\sigma$--terms in the framework of heavy baryon chiral perturbation theory. At next-to-leading order, ${\cal O}(q^3)$, knowledge of the baryon masses and $\sigma_{\pi N}(0)$ allows to determine the three corresponding finite low--energy constants and to predict the the two $KN$ $\sigma$--terms $\sigma^{(1,2)}_{KN} (0)$. We also include the spin-3/2 decuplet in the effective theory. The presence of the non--vanishing energy scale due to the octet--decuplet splitting shifts the average octet baryon mass by an infinite amount and leads to infinite renormalizations of the low--energy constants. The first observable effect of the decuplet intermediate states to the baryon masses starts out at order $q^4$. We argue that it is not sufficient to retain only these but no other higher order terms to achieve a consistent description of the three--flavor scalar sector of baryon CHPT. In addition, we critically discuss an SU(2) result which allows to explain the large shift of $\sigma_{\pi N}(2M_\pi^2) - \sigma_{\pi N}(0)$ via intermediate $\Delta (1232)$ states.Comment: 18 pp, TeX, BUTP-93/05 and CRN-93-0

Surprisingly different star-spot distributions on the near equal-mass equal-rotation-rate stars in the M dwarf binary GJ 65 AB

We aim to understand how stellar parameters such as mass and rotation impact the distribution of star-spots on the stellar surface. To this purpose, we have used Doppler imaging to reconstruct the surface brightness distributions of three fully convective M dwarfs with similar rotation rates. We secured high cadence spectral time series observations of the 5.5 au separation binary GJ 65, comprising GJ 65A (M5.5V, Prot = 0.24 d) and GJ 65B (M6V, Prot = 0.23 d). We also present new observations of GJ 791.2A (M4.5V, Prot = 0.31 d). Observations of each star were made on two nights with UVES, covering a wavelength range from 0.64 - 1.03μm. The time series spectra reveal multiple line distortions that we interpret as cool star-spots and which are persistent on both nights suggesting stability on the time-scale of 3 d. Spots are recovered with resolutions down to 8.3° at the equator. The global spot distributions for GJ 791.2A are similar to observations made a year earlier. Similar high latitude and circumpolar spot structure is seen on GJ 791.2A and GJ 65A. However, they are surprisingly absent on GJ 65B, which instead reveals more extensive, larger, spots concentrated at intermediate latitudes. All three stars show small amplitude latitude-dependent rotation that is consistent with solid body rotation. We compare our measurements of differential rotation with previous Doppler imaging studies and discuss the results in the wider context of other observational estimates and recent theoretical predictions

BARYON-BARYON INTERACTIONS IN LARGE N_C CHIRAL PERTURBATION THEORY

Interactions of two baryons are considered in large $N_C$ chiral perturbation theory and compared to the interactions derived from the Skyrme model. Special attention is given to a torus-like configuration known to be present in the Skyrme model.Comment: 18 pages, REVTEX, 8 uuencoded PS figures appende

Sand as Maxwell's demon

We consider a dilute gas of granular material inside a box, kept in a stationary state by shaking. A wall separates the box into two identical compartments, save for a small hole at some finite height $h$. As the gas is cooled, a second order phase transition occurs, in which the particles preferentially occupy one side of the box. We develop a quantitative theory of this clustering phenomenon and find good agreement with numerical simulations

Topics in Chiral Perturbation Theory

I consider some selected topics in chiral perturbation theory (CHPT). For the meson sector, emphasis is put on processes involving pions in the isospin zero S-wave which require multi-loop calculations. The advantages and shortcomings of heavy baryon CHPT are discussed. Some recent results on the structure of the baryons are also presented.Comment: 30 pp, TeX, Review talk, Third Workshop on High Energy Particle Physics (WHEPP III), Madras, India, January 1994. 7 figures available upon request. CRN--94/0

Masses, Oxygen and Carbon abundances in CHEPS dwarf stars

Reproduced with permission from Astronomy & Astrophysics. © 2019 ESOContext. We report the results from the determination of stellar masses, carbon, and oxygen abundances in the atmospheres of 107 stars from the Calan-Hertfordshire Extrasolar Planet Search (CHEPS) programme. Our stars are drawn from a population with a significantly super-solar metallicity. At least 10 of these stars are known to host orbiting planets. Aims. In this work, we set out to understand the behaviour of carbon and oxygen abundance in stars with different spectral classes, metallicities, and V sin i within the metal-rich stellar population. Methods. Masses of these stars were determined using data from Gaia DR2. Oxygen and carbon abundances were determined by fitting the absorption lines. We determined oxygen abundances with fits to the 6300.304 Å O I line, and we used 3 lines of the C I atom and 12 lines of the C 2 molecule for the determination of carbon abundances. Results. We determine masses and abundances of 107 CHEPS stars. There is no evidence that the [C/O] ratio depends on V sin i or the mass of the star within our constrained range of masses, i.e. 0.82 5 km s -1) are massive stars.Peer reviewedFinal Published versio

Effective field theory and the quark model

We analyze the connections between the quark model (QM) and the description of hadrons in the low-momentum limit of heavy-baryon effective field theory in QCD. By using a three-flavor-index representation for the effective baryon fields, we show that the ``nonrelativistic'' constituent QM for baryon masses and moments is completely equivalent through O(m_s) to a parametrization of the relativistic field theory in a general spin--flavor basis. The flavor and spin variables can be identified with those of effective valence quarks. Conversely, the spin-flavor description clarifies the structure and dynamical interpretation of the chiral expansion in effective field theory, and provides a direct connection between the field theory and the semirelativistic models for hadrons used in successful dynamical calculations. This allows dynamical information to be incorporated directly into the chiral expansion. We find, for example, that the striking success of the additive QM for baryon magnetic moments is a consequence of the relative smallness of the non-additive spin-dependent corrections.Comment: 25 pages, revtex, no figure