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Robust inference based on the minimization of statistical divergences has proved to be a useful alternative to classical techniques based on maximum likelihood and related methods. Basu et al. (1998) introduced the density power divergence (DPD) family as a measure of discrepancy between two probability density functions and used this family for robust estimation of the parameter for independent and identically distributed data. Ghosh et al. (2017) proposed a more general class of divergence measures, namely the S-divergence family and discussed its usefulness in robust parametric estimation through several asymptotic properties and some numerical illustrations. In this paper, we develop the results concerning the asymptotic breakdown point for the minimum S-divergence estimators (in particular the minimum DPD estimator) under general model setups. The primary result of this paper provides lower bounds to the asymptotic breakdown point of these estimators which are independent of the dimension of the data, in turn corroborating their usefulness in robust inference under high dimensional data., Comment: Keywords: Breakdown Point, Minimum S-divergence Estimator, Density Power Divergence, Power Divergence Details: 28 pages, 7 figures

Repeated Compton scattering of photons with thermal electrons is one of the fundamental processes at work in many astrophysical plasma. Solving the exact evolution equations is hard and one common simplification is based on Fokker-Planck (FP) approximations of the Compton collision term. Here we carry out a detailed numerical comparison of several FP approaches with the exact scattering kernel solution for a range of test problems assuming isotropic media and thermal electrons at various temperatures. The Kompaneets equation, being one of the most widely used FP approximations, fails to account for Klein-Nishina corrections and enhanced Doppler boosts and recoil at high energies. These can be accounted for with an alternative FP approach based on the exact first and second moments of the scattering kernel. As demonstrated here, the latter approach works very well in dilute media, but inherently fails to reproduce the correct equilibrium solution in the limit of many scattering. Conditions for the applicability of the FP approximations are clarified, overall showing that the Kompaneets equation provides the most robust approximation to the full problem, even if inaccurate in many cases. We close our numerical analysis by briefly illustrating the solutions for the spectral distortions of the cosmic microwave background (CMB) after photon injection at redshift $z\lesssim 10^5$, when double Compton and Bremsstrahlung emission can be omitted. We demonstrate that the exact treatment using the scattering kernel computed with {\tt CSpack} is often needed. This work should provide an important step towards accurate computations of the CMB spectral distortions from high-energy particle cascades., Comment: Comments welcome

Compton scattering between electrons and photons plays a crucial role in astrophysical plasmas. Many important aspects of this process can be captured by using the so-called Compton scattering kernel. For isotropic media, exact analytic expressions (valid at all electron and photon energies) do exist but are hampered by numerical issues and often are presented in complicated ways. In this paper, we summarize, simplify and improve existing analytic expressions for the Compton scattering kernel, with an eye on clarity and physical understanding. We provide a detailed overview of important properties of the kernel covering a wide range of energies and highlighting aspects that have not been appreciated as much previously. We discuss analytic expressions for the moments of the kernel, comparing various approximations and demonstrating their precision. We also illustrate the properties of the scattering kernel for thermal electrons at various temperatures and photon energies, introducing new analytic approximations valid to high temperatures. The obtained improved formulae for the kernel and its moments should prove useful in many astrophysical computations, one of them being the evolution of spectral distortions of the cosmic microwave background in the early Universe. A novel code, CSpack, for efficient computations of the Compton scattering kernel and its properties (in the future also including anisotropies in the initial electron and photon distributions) is being developed in a series of papers and will be available within one month., Comment: Significantly edited based on the referee's comments. 18 pages + 3 pages appendix, 17 figures. Accepted for publication in MNRAS

After numerous astronomical and experimental searches, the precise particle nature of dark matter is still unknown. The standard Weakly Interacting Massive Particle(WIMP) dark matter, despite successfully explaining the large-scale features of the universe, has long-standing small-scale issues. The spectral distortion in the Cosmic Microwave Background(CMB) caused by Silk damping in the pre-recombination era allows one to access information on a range of small scales $0.3 \, {\rm Mpc} < k < 10^4 \, \rm Mpc^{-1}$, whose dynamics can be precisely described using linear theory. In this paper, we investigate the possibility of using the Silk damping induced CMB spectral distortion as a probe of the small-scale power. We consider four suggested alternative dark matter candidates---Warm Dark Matter (WDM), Late Forming Dark Matter, Ultra Light Axion dark matter and Charged Decaying Dark Matter; the matter power in all these models deviate significantly from the $\Lambda$CDM model at small scales. We compute the spectral distortion of CMB for these alternative models and compare our results with the $\Lambda$CDM model. We show that the main impact of alternative models is to alter the sub-horizon evolution of the Newtonian potential which affects the late-time behaviour of spectral distortion of CMB. The $y$-parameter diminishes by a few percent as compared to the $\Lambda$CDM model for a range of parameters of these models: LFDM for formation redshift $z_f = 10^5$ (7\%); WDM for mass $m_{\rm wdm} = 1 \, \rm keV$ (2\%); CHDM for decay redshift $z_{\rm decay} = 10^5$ (5\%); ULA for mass $m_a = 10^{-24} \, \rm eV$ (3\%). We also briefly discuss the detectability of this deviation in light of the upcoming CMB experiment PIXIE, which might have the sensitivity to detect this signal from the pre-recombination phase., Comment: 21 Pages, 7 figures. Accepted in JCAP

The particle nature of dark matter remains a mystery. In this paper, we consider two dark matter models---Late Forming Dark Matter (LFDM) and Ultra-Light Axion (ULA) models---where the matter power spectra show novel effects on small scales. The high redshift universe offers a powerful probe of their parameters. In particular, we study two cosmological observables: the neutral hydrogen (HI) redshifted 21-cm signal from the epoch of reionization, and the evolution of the collapsed fraction of HI in the redshift range $2 < z < 5$. We model the theoretical predictions of the models using CDM-like N-body simulations with modified initial conditions, and generate reionization fields using an excursion-set model. The N-body approximation is valid on the length and halo mass scales studied. We show that LFDM and ULA models predict an increase in the HI power spectrum from the epoch of reionization by a factor between 2--10 for a range of scales $0.1 4 \times 10^5$ (for LFDM) and the axion mass $m_a > 2.6 \times 10^{-23} \, \rm eV$ (for ULA). The comparison of the collapsed mass fraction inferred from damped Lyman-$\alpha$ observations to the theoretical predictions of our models lead to the weaker bounds: $z_f > 2 \times 10^5$ and $m_a > 10^{-23} \, \rm eV$. These bounds are consistent with other constraints in the literature using different observables; we briefly discuss how these bounds compare with possible constraints from the observation of luminosity function of galaxies at high redshifts. In the case of ULAs, these constraints are also consistent with a solution to the cusp-core problem of CDM., Comment: 19 Pages, 10 Figures, 1 Table. This version is accepted in JCAP

We put constraints on the epoch of dark matter formation for a class of non-WIMP (Weakly Interacting Massive Particle) dark matter candidates. These models allow a fraction of Cold Dark Matter (CDM) to be formed between the epoch of Big Bang Nucleosynthesis (BBN) and the matter radiation equality. We show that for such models the matter power spectra might get strong suppression even on scales that could be probed by linear perturbation theory at low redshifts. Unlike the case of Warm Dark Matter (WDM), where the mass of the dark matter particle controls the suppression scale, in Late Forming Dark Matter (LFDM) scenario, it is the redshift of the dark matter formation which determines the form of the matter power spectra. We use the Sloan Digital Sky Survey (SDSS) galaxy clustering data and the linear matter power spectrum reconstructed from the Lyman-$\alpha$ data to find the latest epoch of the dark matter formation in our universe. If all the observed dark matter is late forming, we find lower bounds on the redshift of dark matter formation $z_f > 1.08 \times 10^5 $ at 99.73 $\%$ C.L from the SDSS data and $z_f > 9 \times 10^5$, at the same C.L, from the Lyman-$\alpha$ data. If onlya fraction of the dark matter is late forming then we find tentative evidence of the presence of LFDM from the Lyman-$\alpha$ data. Upcoming data from SDSS-III/BOSS (Baryon Oscillation Spectroscopic Survey) will allow us to explore this issue in more detail., Comment: 11 pages, 6 figures; , v2: 17 pages, 8 figures with new colours, extended discussion on model and data section added, new refs. added, conclusions unchanged, matches version accepted by JCAP

Hydrogen storage capacity, stability, bonding mechanism and the electronic structure of polylithiated molecules (OLi2) functionalized graphane (CH) has been studied by means of first principle density functional theory (DFT). Molecular dynamics (MD) have confirmed the stability, while Bader charge analysis describe the bonding mechanism of OLi2 with CH. The binding energy of OLi2 on CH sheet has been found to be large enough to ensure its uniform distribution without any clustering. It has been found that each OLi2 unit can adsorb up to six H2 molecules resulting into a storage capacity of 12.90 wt% with adsorption energies within the range of practical H2 storage application., Comment: 11 pages, 4 figures, 1 table, Phys. Chem. Chem. Phys. (submitted)

Strain effects on the stability, electronic structure, and hydrogen storage capacity of lithium-doped graphane (CHLi) have been investigated by stateof-the art first principle density functional theory (DFT). Molecular dynamics MD) simulations have confirmed the stability of Li on graphane sheet when it is subject to 10% of tensile strain. Under biaxial asymmetric strain, the binding energy of Li of graphane (CH) sheet increases by 52% with respect to its bulk's cohesive energy. With 25% doping concentration of Li on CH sheet,the gravimetric density of hydrogen storage is found to reach up to 12.12wt%. The adsorption energies of H2 are found to be within the range of practical H2 storage applications., Comment: 13 pages, 7 figures, 1 table, Applied Physics Letters (Under Review)

Strain effects on the stabilization of Al ad-atom on graphene oxide(GO)nanosheet as well as its implications for NH3 storage have been investigated using first-principles calculations.The binding energy of Al ad-atom on GO is found to be a false indicator of its stability.Tensile strain is found to be very effective in stabilizing the Al ad-atom on GO.It strengthens the C-O bonds through an enhanced charge transfer from C to O atoms. Interestingly,C-O bond strength is found to be the correct index for Al's stability.Optimally strained Al-functionalized GO binds up to 6 NH3 molecules,while it binds no NH3 molecule in unstrained condition., Comment: 11 pages, 3 figures, 4 tables, Applied Physics Letters (Under Review)

We scrutinize the accuracy of the pseudopotential approximation in density-functional theory (DFT) calculations of surfaces by systematically comparing to results obtained within a full-potential setup. As model system we choose the CO oxidation at a RuO2(110) surface and focus in particular on the adsorbate binding energies and reaction barriers as target quantities for the comparison. Rather surprisingly, the major reason for discrepancy does not result from the neglected semi-core state relaxation in the frozen-core approximation, but from an inadequate description of the local part of the Ru pseudopotential, responsible for the scattering of f like waves. Tiny, seemingly irrelevant, imprecisions appearing in these properties can have a noticeable influence on the surface energetics. At least for the present example, we obtain excellent agreement between both approaches, if the pseudopotential describes these scattering properties accurately., Comment: 8 pages including 3 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html

Monte-Carlo simulation technique has been used to investigate the effect of temperature and adsorbed gases on the composition profile of unsupported Pt-Rh nanocatalysts. For a 2406 atom fcc cubo-octahedral Pt$_{\rm{}50}$Rh$_{\rm{}50}$ nanocatalyst the shell-wise composition for all the eight shells has been simulated. For the temperatures 700 K, 1000 K and 1300 K, the top shell of clean Pt-Rh nanocatalysts is found to be mildly Pt-enriched, while the second shell is Pt-depleted. The Pt concentration of the top shell shows a maximum at T = 1000 K. In presence of a quarter monolayer of adsorbed oxygen the top shell shows Rh enrichment, while all the other shells show Pt-enrichment. This is true for all the three temperatures for which the composition profiles have been studied., Comment: 9 pages (LATEX), 4 postscript figures ; Accepted for publication in Physica B