The density of states approach for the simulation of finite density quantum field theories

10 pages, 6 figures, talk at at DISCRETE2014, King's College London, December 2014Finite density quantum field theories have evaded first principle Monte-Carlo simulations due to the notorious sign-problem. The partition function of such theories appears as the Fourier transform of the generalised density-of-states, which is the probability distribution of the imaginary part of the action. With the advent of Wang-Landau type simulation techniques and recent advances, the density-of-states can be calculated over many hundreds of orders of magnitude. Current research addresses the question whether the achieved precision is high enough to reliably extract the finite density partition function, which is exponentially suppressed with the volume. In my talk, I review the state-of-play for the high precision calculations of the density-of-states as well as the recent progress for obtaining reliable results from highly oscillating integrals. I will review recent progress for the $Z_3$ quantum field theory for which results can be obtained from the simulation of the dual theory, which appears to free of a sign problem

A quantification mechanism for assessing adherence to information security governance guidelines

Purpose: Boards of Directors and other organisational leaders make decisions about the information security governance systems to implement in their companies. The increasing number of cyber-breaches targeting businesses makes this activity inescapable. Recently, researchers have published comprehensive lists of recommended cyber measures, specifically to inform organisational boards. However, the young cybersecurity industry has still to confirm and refine these guidelines. As a starting point, it would be helpful for organisational leaders to know what other organisations are doing in terms of using these guidelines. In an ideal world, bespoke surveys would be developed to gauge adherence to guidelines, but this is not always feasible. What we often do have is data from existing cybersecurity surveys. The authors argue that such data could be repurposed to quantify adherence to existing information security guidelines, and this paper aims to propose, and test, an original methodology to do so. Design/methodology/approach: The authors propose a quantification mechanism to measure the degree of adherence to a set of published information security governance recommendations and guidelines targeted at organisational leaders. The authors test their quantification mechanism using a data set collected in a survey of 156 Italian companies on information security and privacy. Findings: The evaluation of the proposed mechanism appears to align with findings in the literature, indicating the validity of the present approach. An analysis of how different industries rank in terms of their adherence to the selected set of recommendations and guidelines confirms the usability of our repurposed data set to measure adherence. Originality/value: To the best of the authors’ knowledge, a quantification mechanism as the one proposed in this study has never been proposed, and tested, in the literature. It suggests a way to repurpose survey data to determine the extent to which companies are implementing measures recommended by published cybersecurity guidelines. This way, the proposed mechanism responds to increasing calls for the adoption of research practices that minimise waste of resources and enhance research sustainability

Photochemical Thiolation of Carbon Particles with Mercaptoproyltrimethoxysilane

Surface modification of carbon black (CB) is an important tool to refashion properties of its composites. CB surface modification is usually practiced through thermal procedures. However, environmental concerns have provided the base to rethink for alternate methods, particularly photochemical methods that are considered comparatively eco-friendly due to reduced chemical and thermal waste. Present investigation is based on a photochemical method for CB surface modification that has effectively modified particle surface with alkoxysilane. This method carries the active centers, generated by photoinitiator, to the shaded areas which otherwise are not possible to reach. Hence, this reaction scheme has prevailed over huge activation barrier without thermal support. A photo-thermal modification method has also been utilized for comparative analysis. Effectiveness of photochemical modification method to alter the surface of CB has been confirmed through different instrumental techniques, including XPS, TGA, FTIR, Raman and SEM

The density of states approach at finite chemical potential: a numerical study of the Bose gas

7 pages, 3 figures, LATTICE 2015Recently, a novel algorithm for computing the density of states in statistical systems and quantum field theories has been proposed. The same method can be applied to theories at finite density affected by the notorious sign problem, reducing a high-dimensional oscillating integral to a more tractable one-dimensional one. As an example we applied the method to the relativistic Bose gas

A durable coating to prevent stress corrosion effects on the surface strength of annealed glass

The durability of an innovative polymeric coating recently developed by the authors to prevent stress corrosion in annealed glass is herein examined. The coating, having functional graded properties through the thickness, is optimised to provide a very good adhesion with glass and an excellent hydrophobic behavior on the side exposed to the environment, thus creating a good barrier to humidity, which is the triggering agent for stress corrosion. Three scenarios are analysed in terms of ageing: (i) cyclic loading, accomplished by subjecting coated samples to repetitive loading; (ii) natural weathering, performed by exposing coated samples to atmospheric agents; (iii) artificial weathering, carried out by exposing coated specimens to fluorescent UV lamps, heat and water. The durability of the coating is assessed indirectly, on the base of its residual effectiveness in preventing stress corrosion, by comparing the bending strength, obtained with the coaxial double ring test, of aged coated glass specimens with that of un-coated and freshly coated specimens. The obtained results prove that the proposed formulation is almost insensitive to cyclic loading, maintains a very good performance in case of natural weathering, whereas is slightly more sensitive to artificial weathering

Solvent-free electrospinning of liquid polybutadienes and their in-situ photocuring

A single-step approach to rapidly convert low molecular weight polybutadienes into fine rubber crosslinked fibers and nonwoven mats without using any heat or solvent was described. This environmentally friendly method consisted in the electrospinning at room temperature of liquid polybutadiene and polybutadiene-graft-maleic anhydride polymers without any solvent; the flying jet was irradiated to trigger the in-situ curing of the forming fibers at ambient conditions, obtaining a good control over the fibrous morphology and enhancing the performance of the membranes. The kinetics of the photo-crosslinking reaction was studied through FT-IR spectroscopy. Liquid polybutadiene-graft-maleic anhydride polymers demonstrated a faster rate of photocuring, compared to neat polybutadienes. In order to further speed up the reaction, a thiol-based crosslinker and a photoinitiator were introduced into the formulations. The photo-induced crosslinking was more efficient as different reactions concomitantly took place: besides the thiol-ene crosslinking involving the multifunctional thiol crosslinker, the oxidation of the polybutadiene chains and the esterification of the maleic anhydride moieties occurred. Moreover, a polar additive was used to control the electrospinning process by lowering the viscosity and increasing the electrical conductivity. The structural, thermal and surface properties of the fabricated polybutadiene-based electrospun membranes were assessed. The membranes exhibited an excellent morphology stability, high insolubility, good thermal properties and a pronounced hydrophobic character

Flash Melting Amorphous Ice

Water can be vitrified if it is cooled at rates exceeding $3*10^5$ K/s. This makes it possible to outrun crystallization in so-called no man's land, a range of deeply supercooled temperatures where water crystallizes rapidly. One would naively assume that the process can simply be reversed by heating the resulting amorphous ice at a similar rate. We demonstrate that this is not the case. When amorphous ice samples are flash melted with a microsecond laser pulse, time-resolved electron diffraction reveals that the sample transiently crystallizes despite a heating rate of more than $5*10^6$ K/s, demonstrating that the critical heating rate for outrunning crystallization is significantly higher than the critical cooling rate during vitrification. Moreover, we observe different crystallization kinetics for amorphous solid water (ASW) and hyperquenched glassy water (HGW), which suggests that the supercooled liquids formed during laser heating transiently retain distinct non-equilibrium structures that are associated with different nucleation rates. These experiments open up new avenues for elucidating the crystallization mechanism of water and studying its dynamics in no man's land. They also add important mechanistic details to the laser melting and revitrification process that is integral to the emerging field of microsecond time-resolved cryo-electron microscopy.Comment: arXiv admin note: text overlap with arXiv:2211.0441

Electron Diffraction of Water in No Man's Land

A generally accepted understanding of the anomalous properties of water will only emerge if it becomes possible to systematically characterize water in the deeply supercooled regime, from where the anomalies appear to emanate. This has largely remained elusive because water crystallizes rapidly between 160 K and 232 K. Here, we present an experimental approach to rapidly prepare deeply supercooled water at a well-defined temperature and probe it with electron diffraction before crystallization occurs. We show that as water is cooled from room temperature to cryogenic temperature, its structure evolves smoothly, approaching that of amorphous ice just below 200 K. Our experiments narrow down the range of possible explanations of the origin for the water anomalies and open up new avenues for studying supercooled water

Correlated electron-hole plasma in organometal perovskites

Organic-inorganic perovskites are a class of solution-processed semiconductors holding promise for the realization of low-cost efficient solar cells and on-chip lasers. Despite the recent attention they have attracted, fundamental aspects of the photophysics underlying device operation still remain elusive. Here we use photoluminescence and transmission spectroscopy to show that photoexcitations give rise to a conducting plasma of unbound but Coulomb-correlated electron-hole pairs at all excitations of interest for light-energy conversion and stimulated optical amplification. The conductive nature of the photoexcited plasma has crucial consequences for perovskite-based devices: in solar cells, it ensures efficient charge separation and ambipolar transport while, concerning lasing, it provides a low threshold for light amplification and justifies a favourable outlook for the demonstration of an electrically driven laser. We find a significant trap density, whose cross-section for carrier capture is however low, yielding a minor impact on device performance

Eugenol: A Promising Building Block for Synthesis of Radically Polymerizable Monomers

Eugenol, a natural phenol currently mainly obtained from clove oil, is an interesting aromatic building block for the synthesis of novel biobased monomers. It can also be obtained from lignin depolymerization, becoming a promising building block due to lignin availability as biomass feedstock. The synthesis of eight monomers derived from eugenol containing polymerizable functional groups is achieved. The (meth)acrylation of eugenol, isoeugenol, and dihydroeugenol is performed and the solution homopolymerization of these biobased monomers is studied. Moreover, aiming to prepare functional polymers, the introduction of epoxy and cyclic carbonate groups is executed via modification of the allylic double bond present in eugenol derived methacrylate. Thus, a novel platform of versatile biobased monomers derived from eugenol is presented, opening the opportunity to use them in a wide range of polymerization processes and applications