Accurate Evaluation of Charge Asymmetry in Aqueous Solvation

Charge hydration asymmetry (CHA)--a characteristic dependence of hydration free energy on the sign of the solute charge--quantifies the asymmetric response of water to electric field at microscopic level. Accurate estimates of CHA are critical for understanding hydration effects ubiquitous in chemistry and biology. However, measuring hydration energies of charged species is fraught with significant difficulties, which lead to unacceptably large (up to 300%) variation in the available estimates of the CHA effect. We circumvent these difficulties by developing a framework which allows us to extract and accurately estimate the intrinsic propensity of water to exhibit CHA from accurate experimental hydration free energies of neutral polar molecules. Specifically, from a set of 504 small molecules we identify two pairs that are analogous, with respect to CHA, to the K+/F- pair--a classical probe for the effect. We use these "CHA-conjugate" molecule pairs to quantify the intrinsic charge-asymmetric response of water to the microscopic charge perturbations: the asymmetry of the response is strong, ~50% of the average hydration free energy of these molecules. The ability of widely used classical water models to predict hydration energies of small molecules correlates with their ability to predict CHA

Attractor behaviour in ELKO cosmology

We study the dynamics of ELKO in the context of accelerated phase of our universe. To avoid the fine tuning problem associated with the initial conditions, it is required that the dynamical equations lead to an early-time attractor. In the earlier works, it was shown that the dynamical equations containing ELKO fields do not lead to early-time stable fixed points. In this work, using redefinition of variables, we show that ELKO cosmology admits early-time stable fixed points. More interestingly, we show that ELKO cosmology admit two sets of attractor points corresponding to slow and fast-roll inflation. The fast-roll inflation attractor point is unqiue for ELKO as it is independent of the form of the potential. We also discuss the plausible choice of interaction terms in these two sets of attractor points and constraints on the coupling constant.Comment: 13 pages, 1 figur

Large Miscibility Gap in the Ba(Mn_xFe_{1-x})2As2 System

The compounds BaMn2As2 and BaFe2As2 both crystallize in the body-centered-tetragonal ThCr2Si2-type (122-type) structure at room temperature but exhibit quite different unit cell volumes and very different magnetic and electronic transport properties. Evidently reflecting these disparities, we have discovered a large miscibility gap in the system Ba(Mn_xFe_{1-x})2As2. Rietveld refinements of powder x-ray diffraction (XRD) measurements on samples slow-cooled from 1000 C to room temperature (RT) reveal a two-phase mixture of BaMn2As2 and Ba(Mn_{0.12}Fe_{0.88})2As2 phases together with impurity phases for x = 0.2, 0.4, 0.5, 0.6 and 0.8. We infer that there exists a miscibility gap in this system at 300 K with composition limits 0.12 < x < 1. For samples quenched from 1000 C to 77 K, the refinements of RT XRD data indicate that the miscibility gap at RT narrows at 1000 C to 0.2 < x < 0.8. Samples with x=0.4, 0.5 and 0.6 quenched from 1100-1400 C to 77 K contain a single 122-type phase together with significant amounts of Fe_{1-x}Mn_xAs and FeAs2 impurity phases. These results indicate that the system is not a pseudo-binary system over the whole composition range and that the 122-type phase has a significant homogeneity range at these temperatures. Magnetic susceptibility, electrical resistivity and heat capacity measurements versus temperature of the single-phase quenched polycrystalline samples with x = 0.2 and 0.8 and for lightly doped BaMn2As2 crystals are reported.Comment: 14 pages, 16 figures, 3 tables; published versio

Modelling Ground-Foundation Interactions

Geotechnical practice deals with designing foundations and earth structures. Structure – Foundation –\ud Grou nd interaction is a unique field or topic that concerns both structural and geotechnical engineers. Most geotechnical problems are very sensitive to foundation geometry (length, diameter, spacing), flexural stiffness etc. Even basic parameters such as bearing capacity of shallow foundations, ultimate axial and lateral load capacities of deep/pile foundations, are influenced by the foundation characteristics. More importantly, the serviceability criterion can be satisfied only by proper and rational estimates of structure – found ation – ground interactions. The paper summarizes modelling approaches for foundation – ground interactions, a leaning instability approach for tall structures, and analysis of geosynthetic-reinforced foundation beds

Ground Versus Soil: A New Paradigm in Geotechnical Engineering Education

me of the practitioners of geotechnical engineering tend to confuse Ground with Soil. It is not just semantics but the terms have d eeper technical and philosophical implications. Soi l is a material which can be handled, felt, seen, sme lt, tasted, and tested in small to medium size samples while ‘Ground’ is an entity that exists in- situ. Just as the adage, ‘The total is more than th e sum of the individual parts’, predicting the behavi or of ground from the so-called properties measured on samples collected from the field is muc h more complex and involves judgment. Ground is an intricate natural entity very similar to ‘Humans’ and exhibits behavioral responses rather than merely possess properties like other en gineering materials. Humans have organs and traits such as being jovial, sad, friendly, angry, misanthropic, etc. but do not have properties. Thei r behavioral responses depend on genetics, environmen t in which they grow, personality they develop and to impetus they experience. Similarly, the genetics of ground is defined by its formation (alluvial, marine, residual, colluvial, a eolin, etc.) depending upon how physiogamy forms the deposit. Ground, one tends to believe, is a sol id mass on which structures are built, becomes suddenly a fluid under specific aggravating circums tances such as consisting loose saturated sand with small amount of fines but subjected to seismic activity of medium to high intensity. On the other hand, a river in flood can erode the ground b y removing particles by its high velocity leading to scour. Slopes on which civilizations thrive, bec ome unstable and sometimes even catastrophic under heavy rainfall, coupled with human activities of deforestation, cutting/steepening of slopes, saturating it by ignorance or callousness, etc. The paper presents a new paradigm that emphasizes the need to visualize Ground, not just as a materia l but rather an entity, and view Geotechnical Engineering comprehensively, beyond a mechanistic s tandpoint

Steady state, relaxation and first-passage properties of a run-and-tumble particle in one-dimension

We investigate the motion of a run-and-tumble particle (RTP) in one dimension. We find the exact probability distribution of the particle with and without diffusion on the infinite line, as well as in a finite interval. In the infinite domain, this probability distribution approaches a Gaussian form in the long-time limit, as in the case of a regular Brownian particle. At intermediate times, this distribution exhibits unexpected multi-modal forms. In a finite domain, the probability distribution reaches a steady state form with peaks at the boundaries, in contrast to a Brownian particle. We also study the relaxation to the steady state analytically. Finally we compute the survival probability of the RTP in a semi-infinite domain. In the finite interval, we compute the exit probability and the associated exit times. We provide numerical verifications of our analytical results

Development of sunlight-driven eutectic phase change material nanocomposite for applications in solar water heating

Organic phase change materials (PCMs) have been utilized as latent heat energy storage medium for effective thermal management. In this work, a PCM nanocomposite, consisting of a mixture of two organic PCMs (referred to as eutectic gel PCM) and minimal amount (0.5 wt%) of nanographite (NG) as a supporting material, was prepared. Differential scanning calorimeter was used to determine the melting temperature and latent heat of pristine PCM, paraffin (61.5 °C and 161.5 J/g), eutectic gel PCM (54 °C and 158 J/g) and eutectic gel PCM nanocomposite (53.5 °C and 155 J/g). The prepared PCM nanocomposites exhibited enhanced thermal conductivity and ultrafast thermal charging characteristics. The nanocomposites were employed for two different applications: (i) providing hot water using an indigenously fabricated solar water heating (SWH) system and (ii) solar rechargeable glove that can be rapidly warmed and used. Experimental results on SWH system show that the use of PCM nanocomposites helps to increase the charging rate of PCM while reducing the discharging rate of heat by PCM to water, thus enhancing the maximum utilization of solar energy and hence improving the efficiency of the SWH system. The experimental results on solar rechargeable glove revealed that the glove has the ability to retain the temperature up to 3 hours

Heat conduction in the disordered harmonic chain revisited

A general formulation is developed to study heat conduction in disordered harmonic chains with arbitrary heat baths that satisfy the fluctuation-dissipation theorem. A simple formal expression for the heat current J is obtained, from which its asymptotic system-size (N) dependence is extracted. It is shown that the ``thermal conductivity'' depends not just on the system itself but also on the spectral properties of the fluctuation and noise used to model the heat baths. As special cases of our heat baths we recover earlier results which reported that for fixed boundaries $J \sim 1/N^{3/2}$, while for free boundaries $J \sim 1/N^{1/2}$. For other choices we find that one can get other power laws including the ``Fourier behaviour'' $J \sim 1/N$.Comment: 5 pages, 3 figures, accepted for publication in Phys. Rev. Let