Computational screening of magnetocaloric alloys

An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it is often found that the highest-performing materials contain substantial atomic site disorder. These are frequently overlooked in high-throughput computational searches however, due to difficulties in dealing with materials that do not possess simple, well-defined crystallographic unit cells. Here we demonstrate that the screening of magnetocaloric materials with the help of the density functional theory-based magnetic deformation proxy can be extended to systems with atomic site disorder. This is accomplished by thermodynamic averaging of the magnetic deformation for ordered supercells across a solid solution. We show that the highly non-monotonic magnetocaloric properties of the disordered solid solutions Mn(Co$_{1-x}$Fe$_x$)Ge and (Mn$_{1-x}$Ni$_x$)CoGe are successfully captured using this method.Comment: Main text: 8 pages, 6 figures. Supplemental Material: 2 pages, 2 figure

A Value-Based Approach for Sustainable Supplier-Customer Relationships: The Case of the Indian Steel Industry

The steel industry, which has endured years of mediocre performance due to a supply glut and consequent depressed world prices, has seen considerable resurgence during the last several months. The ever-widening demand-supply gap, and greatly increased input costs have resulted in prices firming up. The sharp increase in steel prices without any let-up is an issue that steel customers have found difficult to grapple with. Many customers believe that the steel industry is behaving opportunistically. The paper attempts to understand the dynamics of the Indian steel industry. Although the steel industry caters to both consumer (B2C) and business (B2B) markets, the focus of the paper is on the business markets, which accounts for 80% of the market. After presenting a picture of who the suppliers and customers of the steel industry are, the paper presents the various forces at play in the industry, a conceptual model to understand supplier-customer relationships in the industry, and traces the sources of animosity and hostility between the supplier and the customer firms. Forging meaningful value-based long-term relationships between supplier and customer firms as a way forward is explored. The paper presents possible remedies to the malady of distrust between customer and supplier firms. Collaborative working between competing suppliers and active pan-industry collaborative forums to bring better cooperation and trust between customer and supplier firms are essential first steps to bring normalcy back into the industry’s functioning.

A functorial construction of moduli of sheaves

We show how natural functors from the category of coherent sheaves on a projective scheme to categories of Kronecker modules can be used to construct moduli spaces of semistable sheaves. This construction simplifies or clarifies technical aspects of existing constructions and yields new simpler definitions of theta functions, about which more complete results can be proved.Comment: 52 pp. Dedicated to the memory of Joseph Le Potier. To appear in Inventiones Mathematicae. Slight change in the definition of the Kronecker algebra in Secs 1 (p3) and 2.2 (p6), with corresponding small alterations elsewhere, to make the constructions work for non-reduced schemes. Section 6.5 rewritten. Remark 2.6 and new references adde

Feedback Communication Systems with Limitations on Incremental Redundancy

This paper explores feedback systems using incremental redundancy (IR) with noiseless transmitter confirmation (NTC). For IR-NTC systems based on {\em finite-length} codes (with blocklength $N$) and decoding attempts only at {\em certain specified decoding times}, this paper presents the asymptotic expansion achieved by random coding, provides rate-compatible sphere-packing (RCSP) performance approximations, and presents simulation results of tail-biting convolutional codes. The information-theoretic analysis shows that values of $N$ relatively close to the expected latency yield the same random-coding achievability expansion as with $N = \infty$. However, the penalty introduced in the expansion by limiting decoding times is linear in the interval between decoding times. For binary symmetric channels, the RCSP approximation provides an efficiently-computed approximation of performance that shows excellent agreement with a family of rate-compatible, tail-biting convolutional codes in the short-latency regime. For the additive white Gaussian noise channel, bounded-distance decoding simplifies the computation of the marginal RCSP approximation and produces similar results as analysis based on maximum-likelihood decoding for latencies greater than 200. The efficiency of the marginal RCSP approximation facilitates optimization of the lengths of incremental transmissions when the number of incremental transmissions is constrained to be small or the length of the incremental transmissions is constrained to be uniform after the first transmission. Finally, an RCSP-based decoding error trajectory is introduced that provides target error rates for the design of rate-compatible code families for use in feedback communication systems.Comment: 23 pages, 15 figure

Superfluid-Insulator transition of ultracold atoms in an optical lattice in the presence of a synthetic magnetic field

We study the Mott insulator-superfluid transition of ultracold bosonic atoms in a two-dimensional square optical lattice in the presence of a synthetic magnetic field with p/q (p and q being co-prime integers) flux quanta passing through each lattice plaquette. We show that on approach to the transition from the Mott side, the momentum distribution of the bosons exhibits q precursor peaks within the first magnetic Brillouin zone. We also provide an effective theory for the transition and show that it involves q interacting boson fields. We construct, from a mean-field analysis of this effective theory, the superfluid ground states near the transition and compute, for q=2,3, both the gapped and the gapless collective modes of these states. We suggest experiments to test our theory.Comment: 4 pages, 4 figs; v

Exchange biasing of single-domain Ni nanoparticles spontaneously grown in an antiferromagnetic MnO matrix

Exchange biased composites of ferromagnetic single-domain Ni nanoparticles embedded within large grains of MnO have been prepared by reduction of Ni$_x$Mn$_{1-x}$O$_4$ phases in flowing hydrogen. The Ni precipitates are 15-30 nm in extent, and the majority are completely encased within the MnO matrix. The manner in which the Ni nanoparticles are spontaneously formed imparts a high ferromagnetic- antiferromagnetic interface/volume ratio, which results in substantial exchange bias effects. Exchange bias fields of up to 100 Oe are observed, in cases where the starting Ni content $x$ in the precursor Ni$_x$Mn$_{1-x}$O$_4$ phase is small. For particles of approximately the same size, the exchange bias leads to significant hardening of the magnetization, with the coercive field scaling nearly linearly with the exchange bias field.Comment: 6 pages PDFLaTeX with 9 figure

Structural disorder, magnetism, and electrical and thermoelectric properties of pyrochlore Nd2Ru2O7

Polycrystalline Nd2Ru2O7 samples have been prepared and examined using a combination of structural, magnetic, and electrical and thermal transport studies. Analysis of synchrotron X-ray and neutron diffraction patterns suggests some site disorder on the A-site in the pyrochlore sublattice: Ru substitutes on the Nd-site up to 7.0(3)%, regardless of the different preparative conditions explored. Intrinsic magnetic and electrical transport properties have been measured. Ru 4d spins order antiferromagnetically at 143 K as seen both in susceptibility and specific heat, and there is a corresponding change in the electrical resistivity behaviour. A second antiferromagnetic ordering transition seen below 10 K is attributed to ordering of Nd 4f spins. Nd2Ru2O7 is an electrical insulator, and this behaviour is believed to be independent of the Ru-antisite disorder on the Nd site. The electrical properties of Nd2Ru2O7 are presented in the light of data published on all A2Ru2O7 pyrochlores, and we emphasize the special structural role that Bi3+ ions on the A-site play in driving metallic behaviour. High-temperature thermoelectric properties have also been measured. When considered in the context of known thermoelectric materials with useful figures-of-merit, it is clear that Nd2Ru2O7 has excessively high electrical resistivity which prevents it from being an effective thermoelectric. A method for screening candidate thermoelectrics is suggested.Comment: 19 pages, 10 figure