X-ray Diffraction and Molecular Dynamics Study of Medium-range Order in Ambient and Hot Water

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy resolution better than 15 eV has been achieved which eliminates influence from Compton scattering. The high quality of the data allows a precise oxygen-oxygen pair correlation function (PCF) to be directly derived from the Fourier transform of the experimental data resolving shell structure out to ~12 {\AA}, i.e. 5 hydration shells. Large-scale molecular dynamics (MD) simulations using the TIP4P/2005 force-field reproduce excellently the experimental shell-structure in the range 4-12 {\AA} although less agreement is seen for the first peak in the PCF. The Local Structure Index [J. Chem. Phys. 104, 7671 (1996)] identifies a tetrahedral minority giving the intermediate-range oscillations in the PCF and a disordered majority providing a more featureless background in this range. The current study supports the proposal that the structure of liquid water, even at high temperatures, can be described in terms of a two-state fluctuation model involving local structures related to the high-density and low-density forms of liquid water postulated in the liquid-liquid phase transition hypothesis.Comment: Submitted to Phys. Chem. Chem. Phy

Entropy/IP: Uncovering Structure in IPv6 Addresses

In this paper, we introduce Entropy/IP: a system that discovers Internet address structure based on analyses of a subset of IPv6 addresses known to be active, i.e., training data, gleaned by readily available passive and active means. The system is completely automated and employs a combination of information-theoretic and machine learning techniques to probabilistically model IPv6 addresses. We present results showing that our system is effective in exposing structural characteristics of portions of the IPv6 Internet address space populated by active client, service, and router addresses. In addition to visualizing the address structure for exploration, the system uses its models to generate candidate target addresses for scanning. For each of 15 evaluated datasets, we train on 1K addresses and generate 1M candidates for scanning. We achieve some success in 14 datasets, finding up to 40% of the generated addresses to be active. In 11 of these datasets, we find active network identifiers (e.g., /64 prefixes or `subnets') not seen in training. Thus, we provide the first evidence that it is practical to discover subnets and hosts by scanning probabilistically selected areas of the IPv6 address space not known to contain active hosts a priori.Comment: Paper presented at the ACM IMC 2016 in Santa Monica, USA (https://dl.acm.org/citation.cfm?id=2987445). Live Demo site available at http://www.entropy-ip.com

Measurement of positron lifetime to probe the mixed molecular states of liquid water

Positron lifetime spectra were measured in liquid water at temperatures between 0c and 50c. The long lifetime of ortho-positronium atoms (o-Ps) determined by electron pick-off in molecular substances decreases smoothly by 10% as the temperature is raised. This lifetime temperature dependence can be explained by combining the Ps-bubble model and the mixture state model of liquid water.Comment: 11 pages, 6 page

Model of a fluid at small and large length scales and the hydrophobic effect

We present a statistical field theory to describe large length scale effects induced by solutes in a cold and otherwise placid liquid. The theory divides space into a cubic grid of cells. The side length of each cell is of the order of the bulk correlation length of the bulk liquid. Large length scale states of the cells are specified with an Ising variable. Finer length scale effects are described with a Gaussian field, with mean and variance affected by both the large length scale field and by the constraints imposed by solutes. In the absence of solutes and corresponding constraints, integration over the Gaussian field yields an effective lattice gas Hamiltonian for the large length scale field. In the presence of solutes, the integration adds additional terms to this Hamiltonian. We identify these terms analytically. They can provoke large length scale effects, such as the formation of interfaces and depletion layers. We apply our theory to compute the reversible work to form a bubble in liquid water, as a function of the bubble radius. Comparison with molecular simulation results for the same function indicates that the theory is reasonably accurate. Importantly, simulating the large length scale field involves binary arithmetic only. It thus provides a computationally convenient scheme to incorporate explicit solvent dynamics and structure in simulation studies of large molecular assemblies

Surface Induced Order in Liquid Metals and Binary Alloys

Measurements of the surface x-ray scattering from several pure liquid metals (Hg, Ga, and In) and from three alloys (Ga-Bi, Bi-In, and K-Na) with different heteroatomic chemical interactions in the bulk phase are reviewed. Surface-induced layering is found for each elemental liquid metal. The surface structure of the K-Na alloy resembles that of an elemental liquid metal. Bi-In displays pair formation at the surface. Surface segregation and a wetting film are found for Ga-Bi.Comment: 10 pages, 3 fig, published in Journal of Physics: Condensed Matte

Optimized random phase approximations for arbitrary reference systems: extremum conditions and thermodynamic consistence

The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the addition of the same correction to two different first order approximations of the homogeneous liquid free energy. Furthermore, we show that it is possible to consistently use the ORPA with arbitrary reference systems described by continuous potentials and that the same approximation is equivalent to a particular extremum condition for the corresponding generating functional. Finally, it is possible to enforce the thermodynamic consistence between the thermal and the virial route to the equation of state by requiring the global extremum condition on the generating functional.Comment: 8 pages, RevTe

Experimental investigation of the temperature coefficients of Vmpp and Impp in a silicon solar cell

Master's thesis Renewable Energy ENE500 - University of Agder 2019This thesis is meant to provide an experimental investigation of the temperature coefficient(b)of Vmpp compared to Voc in amulticrystallinesilicon solar cell.With the main question being: to what degree is the temperature coefficient equal for Voc and Vmpp and how does series losses(Rs)affect the two? Also investigating the same question for Isc and Impp. Three types of multicrystalline cells have been measured using a NeonSee AAA sun simulator, for a total of 18 tested cells all produced by Elkem SolarSilicon. I-V data wascollected using temperature scan, Suns-Voc and Isc-Voc measurements, with temperatures reflecting normal operation range for solar cells, from 25 to 65°C. The different cells tested have been Al-BSF, PERC 0.5 and PERC 1.3 cells. Theresultingdata hasbeen calculated using Excel providingbresults for Voc, Vmpp, Isc and Impp. For all bresults, standard deviation of slope was also calculated to say something about the accuracy of the measurements.Results from theanalysed data show a trend where bVoc is statistically significant different from bVmpp. This is concluded based on the results where the majority cells tested show bVoc having a larger value than bVmpp, without any overlapping instandard deviation. The degree of differencevaries with the different cells and the different measuring techniques. As for the effect of Rs, the difference in results between the Tscan measuring technique and the Suns-Voc and Isc-Voc techniques have been analysed. A trend of lower values for bVmppfrom Tscan measurements indicates that Rs has a negative effect on the bVmpp. Generally, the results show that bfor current is more varyingthan for voltage data. Results compared between the different measuring techniques are showing less visible trends for bIsc and bImpp than for bVocand bVmpp. There are less systematic differences between Tscan data and the two other methods. This is probably because Rs should have little or no effect on the current.For most of the cells calculated, standard deviation is very low for both current and voltage calculations, which is a sign that the measurements are accurate, however more testing is requiredto statemore conclusive evidence

Between Framework and the Field: NIF’s Hybrid Role in Sport for Development in Southern Africa

This thesis investigates how Norwegian and local development goals are integrated and implemented within the movement of Sport for Development (SFD) of the Norwegian Olympic and Paralympic Committee and Confederation of Sports (NIF). The research draws on qualitative data from semi-structured interviews and document analysis, exploring how NIF navigates through donor expectations and accountability, especially from NORAD, as well as local realities from partner organizations in Zambia, Zimbabwe and Malawi. The research engages with the theoretical frameworks of critical sports sociology, postcolonial theory, and results-based management to assess power dynamics, participation and ownership structures of Norwegian-supported SFD implementation. The findings illustrate a multifaceted balance of upward and downward accountability to donors and efforts supporting local agency from partner-led programming. Though NIF showcases an understanding and commitment for inclusive, rights-based development initiatives, complex structural power asymmetries and challenges related to measurement and reporting affect the shaping of development goals. This thesis contributes to the growing field of academic work on SFD, offering a contextual analysis of real-life donor-local dynamics, and pointing to both the potential and limitations of using sports as a tool for reaching broad humanitarian and social goals

Surface Structure of Liquid Metals and the Effect of Capillary Waves: X-ray Studies on Liquid Indium

We report x-ray reflectivity (XR) and small angle off-specular diffuse scattering (DS) measurements from the surface of liquid Indium close to its melting point of $156^\circ$C. From the XR measurements we extract the surface structure factor convolved with fluctuations in the height of the liquid surface. We present a model to describe DS that takes into account the surface structure factor, thermally excited capillary waves and the experimental resolution. The experimentally determined DS follows this model with no adjustable parameters, allowing the surface structure factor to be deconvolved from the thermally excited height fluctuations. The resulting local electron density profile displays exponentially decaying surface induced layering similar to that previously reported for Ga and Hg. We compare the details of the local electron density profiles of liquid In, which is a nearly free electron metal, and liquid Ga, which is considerably more covalent and shows directional bonding in the melt. The oscillatory density profiles have comparable amplitudes in both metals, but surface layering decays over a length scale of $3.5\pm 0.6$ \AA for In and $5.5\pm 0.4$ \AA for Ga. Upon controlled exposure to oxygen, no oxide monolayer is formed on the liquid In surface, unlike the passivating film formed on liquid Gallium.Comment: 9 pages, 5 figures; submitted to Phys. Rev.

Transitions between Inherent Structures in Water

The energy landscape approach has been useful to help understand the dynamic properties of supercooled liquids and the connection between these properties and thermodynamics. The analysis in numerical models of the inherent structure (IS) trajectories -- the set of local minima visited by the liquid -- offers the possibility of filtering out the vibrational component of the motion of the system on the potential energy surface and thereby resolving the slow structural component more efficiently. Here we report an analysis of an IS trajectory for a widely-studied water model, focusing on the changes in hydrogen bond connectivity that give rise to many IS separated by relatively small energy barriers. We find that while the system \emph{travels} through these IS, the structure of the bond network continuously modifies, exchanging linear bonds for bifurcated bonds and usually reversing the exchange to return to nearly the same initial configuration. For the 216 molecule system we investigate, the time scale of these transitions is as small as the simulation time scale ($\approx 1$ fs). Hence for water, the transitions between each of these IS is relatively small and eventual relaxation of the system occurs only by many of these transitions. We find that during IS changes, the molecules with the greatest displacements move in small ``clusters'' of 1-10 molecules with displacements of $\approx 0.02-0.2$ nm, not unlike simpler liquids. However, for water these clusters appear to be somewhat more branched than the linear ``string-like'' clusters formed in a supercooled Lennar d-Jones system found by Glotzer and her collaborators.Comment: accepted in PR