Entropy-driven phase transition in a polydisperse hard-rods lattice system

We study a system of rods on the 2d square lattice, with hard-core exclusion. Each rod has a length between 2 and N. We show that, when N is sufficiently large, and for suitable fugacity, there are several distinct Gibbs states, with orientational long-range order. This is in sharp contrast with the case N=2 (the monomer-dimer model), for which Heilmann and Lieb proved absence of phase transition at any fugacity. This is the first example of a pure hard-core system with phases displaying orientational order, but not translational order; this is a fundamental characteristic feature of liquid crystals

Two-dimensional lattice-fluid model with water-like anomalies

We investigate a lattice-fluid model defined on a two-dimensional triangular lattice, with the aim of reproducing qualitatively some anomalous properties of water. Model molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three bonding arms. Bond formation depends both on orientation and local density. We work out phase diagrams, response functions, and stability limits for the liquid phase, making use of a generalized first order approximation on a triangle cluster, whose accuracy is verified, in some cases, by Monte Carlo simulations. The phase diagram displays one ordered (solid) phase which is less dense than the liquid one. At fixed pressure the liquid phase response functions show the typical anomalous behavior observed in liquid water, while, in the supercooled region, a reentrant spinodal is observed.Comment: 9 pages, 1 table, 7 figure

Complex-Temperature Properties of the Ising Model on 2D Heteropolygonal Lattices

Using exact results, we determine the complex-temperature phase diagrams of the 2D Ising model on three regular heteropolygonal lattices, $(3 \cdot 6 \cdot 3 \cdot 6)$ (kagom\'{e}), $(3 \cdot 12^2)$, and $(4 \cdot 8^2)$ (bathroom tile), where the notation denotes the regular $n$-sided polygons adjacent to each vertex. We also work out the exact complex-temperature singularities of the spontaneous magnetisation. A comparison with the properties on the square, triangular, and hexagonal lattices is given. In particular, we find the first case where, even for isotropic spin-spin exchange couplings, the nontrivial non-analyticities of the free energy of the Ising model lie in a two-dimensional, rather than one-dimensional, algebraic variety in the $z=e^{-2K}$ plane.Comment: 31 pages, latex, postscript figure

C-ME: A 3D Community-Based, Real-Time Collaboration Tool for Scientific Research and Training

The need for effective collaboration tools is growing as multidisciplinary proteome-wide projects and distributed research teams become more common. The resulting data is often quite disparate, stored in separate locations, and not contextually related. Collaborative Molecular Modeling Environment (C-ME) is an interactive community-based collaboration system that allows researchers to organize information, visualize data on a two-dimensional (2-D) or three-dimensional (3-D) basis, and share and manage that information with collaborators in real time. C-ME stores the information in industry-standard databases that are immediately accessible by appropriate permission within the computer network directory service or anonymously across the internet through the C-ME application or through a web browser. The system addresses two important aspects of collaboration: context and information management. C-ME allows a researcher to use a 3-D atomic structure model or a 2-D image as a contextual basis on which to attach and share annotations to specific atoms or molecules or to specific regions of a 2-D image. These annotations provide additional information about the atomic structure or image data that can then be evaluated, amended or added to by other project members

Clinical Sequencing Exploratory Research Consortium: Accelerating Evidence-Based Practice of Genomic Medicine

Despite rapid technical progress and demonstrable effectiveness for some types of diagnosis and therapy, much remains to be learned about clinical genome and exome sequencing (CGES) and its role within the practice of medicine. The Clinical Sequencing Exploratory Research (CSER) consortium includes 18 extramural research projects, one National Human Genome Research Institute (NHGRI) intramural project, and a coordinating center funded by the NHGRI and National Cancer Institute. The consortium is exploring analytic and clinical validity and utility, as well as the ethical, legal, and social implications of sequencing via multidisciplinary approaches; it has thus far recruited 5,577 participants across a spectrum of symptomatic and healthy children and adults by utilizing both germline and cancer sequencing. The CSER consortium is analyzing data and creating publically available procedures and tools related to participant preferences and consent, variant classification, disclosure and management of primary and secondary findings, health outcomes, and integration with electronic health records. Future research directions will refine measures of clinical utility of CGES in both germline and somatic testing, evaluate the use of CGES for screening in healthy individuals, explore the penetrance of pathogenic variants through extensive phenotyping, reduce discordances in public databases of genes and variants, examine social and ethnic disparities in the provision of genomics services, explore regulatory issues, and estimate the value and downstream costs of sequencing. The CSER consortium has established a shared community of research sites by using diverse approaches to pursue the evidence-based development of best practices in genomic medicine

Pretreatment Engineering Platform Phase 1 Final Test Report

Pacific Northwest National Laboratory (PNNL) was tasked by Bechtel National Inc. (BNI) on the River Protection Project, Hanford Tank Waste Treatment and Immobilization Plant (RPP-WTP) project to conduct testing to demonstrate the performance of the WTP Pretreatment Facility (PTF) leaching and ultrafiltration processes at an engineering-scale. In addition to the demonstration, the testing was to address specific technical issues identified in Issue Response Plan for Implementation of External Flowsheet Review Team (EFRT) Recommendations - M12, Undemonstrated Leaching Processes.( ) Testing was conducted in a 1/4.5-scale mock-up of the PTF ultrafiltration system, the Pretreatment Engineering Platform (PEP). Parallel laboratory testing was conducted in various PNNL laboratories to allow direct comparison of process performance at an engineering-scale and a laboratory-scale. This report presents and discusses the results of those tests

Measurements of waste tank passive ventilation rates using tracer gases

This report presents the results of ventilation rate studies of eight passively ventilated high-level radioactive waste tanks using tracer gases. Head space ventilation rates were determined for Tanks A-101, AX-102, AX-103, BY-105, C-107, S-102, U-103, and U-105 using sulfur hexafluoride (SF{sub 6}) and/or helium (He) as tracer gases. Passive ventilation rates are needed for the resolution of several key safety issues. These safety issues are associated with the rates of flammable gas production and ventilation, the rates at which organic salt-nitrate salt mixtures dry out, and the estimation of organic solvent waste surface areas. This tracer gas study involves injecting a tracer gas into the tank headspace and measuring its concentration at different times to establish the rate at which the tracer is removed by ventilation. Tracer gas injection and sample collection were performed by SGN Eurisys Service Corporation and/or Lockheed Martin Hanford Corporation, Characterization Project Operations. Headspace samples were analyzed for He and SF{sub 6} by Pacific Northwest National Laboratory (PNNL). The tracer gas method was first demonstrated on Tank S-102. Tests were conducted on Tank S-102 to verify that the tracer gas was uniformly distributed throughout the tank headspace before baseline samples were collected, and that mixing was sufficiently vigorous to maintain an approximately uniform distribution of tracer gas in the headspace during the course of the study. Headspace samples, collected from a location about 4 in away from the injection point and 15, 30, and 60 minutes after the injection of He and SF{sub 6}, indicated that both tracer gases were rapidly mixed. The samples were found to have the same concentration of tracer gases after 1 hour as after 24 hours, suggesting that mixing of the tracer gas was essentially complete within 1 hour

Seasonal changes in the composition of passively ventilated waste tank headspaces

The headspaces of four passively ventilated high-level radioactive waste tanks were sampled five times over a one-year period to evaluate seasonal changes in composition. Tanks BX-104, BY-108, C-107, and SX-102 were selected for the study on the bases of their widely varying headspace compositions, waste types, and physical headspace conditions. Samples were collected and analyzed for inorganic vapors, permanent gases, and organic vapors. Data from the 20 sampling events were compiled and reviewed. Raw mass spectral data for organic vapors were reprocessed by a single analyst. Measurement precision for results within individual sampling events, which includes both sampling and analytical random errors, was generally within the requirement of a 25% relative standard deviation. Data were fit to an analysis of variance (ANOVA) model and tested for correlation with headspace temperature. The ANOVA results indicate that the majority of headspace constituents studied were at relatively constant levels during the year-long study. The percent relative standard deviation (RSD{sub TIME}) of analyte means obtained for the five sampling events were generally low; only 15 of the 152 analytes had RSD{sub TIME} values above 60%. These highest RSD{sub TIME} values were obtained for 13 organic vapors in Tank BX-104 and two permanent gases in Tank C-107