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Bridging the Gap in the Chemical Thermodynamic Database for Nuclear Waste Repository: Studies of the Effect of Temperature on Actinide Complexation

Description: Recent results of thermodynamic studies on the complexation of actinides (UO{sub 2}{sup 2+}, NpO{sub 2}{sup +} and Pu{sup 4+}) with F{sup -}, SO{sub 4}{sup 2-} and H{sub 2}PO{sub 4}{sup -}/HPO{sub 4}{sup 2-} at elevated temperatures are reviewed. The data indicate that, for all systems except the 1:1 complexation of Np(V) with HPO{sub 4}{sup 2-}, the complexation of actinides is enhanced by the increase in temperature. The enhancement is primarily due to the increase in the entropy term (T{Delt… more
Date: December 21, 2009
Creator: Rao, Linfeng; Tian, Guoxin; Xia, Yuanxian; Friese, Judah I.; Zanonato, PierLuigi & Di Bernardo, Plinio
open access

Arsenic chemistry in soils and sediments

Description: Arsenic is a naturally occurring trace element that poses a threat to human and ecosystem health, particularly when incorporated into food or water supplies. The greatest risk imposed by arsenic to human health results from contamination of drinking water, for which the World Health Organization recommends a maximum limit of 10 {micro}g L{sup -1}. Continued ingestion of drinking water having hazardous levels of arsenic can lead to arsenicosis and cancers of the bladder, skin, lungs and kidneys.… more
Date: October 15, 2009
Creator: Fendorf, S.; Nico, P.; Kocar, B.D.; Masue, Y. & Tufano, K.J.
open access

Optimized Volumetric Scanning for X-Ray Array Sources

Description: Non-destructive evaluation (NDE) is the science and technology of determining non-invasively the internal structure of manufactured parts, objects, and materials. NDE application areas include medicine, industrial manufacturing, military, homeland security, and airport luggage screening. X-ray measurement systems are most widely used because of their ability to image through a wide range of material densities (from human tissue in medical applications to the dense materials of weapon components… more
Date: September 29, 2009
Creator: Lehman, S. K.; Foudray, A. M.; Wang, A.; Kallman, J. S. & Martz, H.
open access

The use of microarrays in microbial ecology

Description: Microarrays have proven to be a useful and high-throughput method to provide targeted DNA sequence information for up to many thousands of specific genetic regions in a single test. A microarray consists of multiple DNA oligonucleotide probes that, under high stringency conditions, hybridize only to specific complementary nucleic acid sequences (targets). A fluorescent signal indicates the presence and, in many cases, the abundance of genetic regions of interest. In this chapter we will look at… more
Date: September 15, 2009
Creator: Andersen, G. L.; He, Z.; DeSantis, T. Z.; Brodie, E. L. & Zhou, J.
open access

Monodisperse metal nanoparticle catalysts on silica mesoporous supports: synthesis, characterizations, and catalytic reactions

Description: The design of high performance catalyst achieving near 100% product selectivity at maximum activity is one of the most important goals in the modern catalytic science research. To this end, the preparation of model catalysts whose catalytic performances can be predicted in a systematic and rational manner is of significant importance, which thereby allows understanding of the molecular ingredients affecting the catalytic performances. We have designed novel 3-dimensional (3D) high surface area … more
Date: September 14, 2009
Creator: Somorjai, G.A.
open access

Chapter 27 -- Breast Cancer Genomics, Section VI, Pathology and Biological Markers of Invasive Breast Cancer

Description: Breast cancer is predominantly a disease of the genome with cancers arising and progressing through accumulation of aberrations that alter the genome - by changing DNA sequence, copy number, and structure in ways that that contribute to diverse aspects of cancer pathophysiology. Classic examples of genomic events that contribute to breast cancer pathophysiology include inherited mutations in BRCA1, BRCA2, TP53, and CHK2 that contribute to the initiation of breast cancer, amplification of ERBB2 … more
Date: June 18, 2009
Creator: Spellman, Paul T.; Heiser, Laura & Gray, Joe W.
open access

Hydrological consequences of global warming

Description: The 2007 Intergovernmental Panel for Climate Change indicates there is strong evidence that the atmospheric concentration of carbon dioxide far exceeds the natural range over the last 650,000 years, and this recent warming of the climate system is unequivocal, resulting in more frequent extreme precipitation events, earlier snowmelt runoff, increased winter flood likelihoods, increased and widespread melting of snow and ice, longer and more widespread droughts, and rising sea level. The effects… more
Date: June 1, 2009
Creator: Miller, Norman L.
open access

Model Components of the Certification Framework for Geologic Carbon Sequestration Risk Assessment

Description: We have developed a framework for assessing the leakage risk of geologic carbon sequestration sites. This framework, known as the Certification Framework (CF), emphasizes wells and faults as the primary potential leakage conduits. Vulnerable resources are grouped into compartments, and impacts due to leakage are quantified by the leakage flux or concentrations that could potentially occur in compartments under various scenarios. The CF utilizes several model components to simulate leakage scena… more
Date: June 1, 2009
Creator: Oldenburg, Curtis M.; Bryant, Steven L.; Nicot, Jean-Philippe; Kumar, Navanit; Zhang, Yingqi; Jordan, Preston et al.
open access

Benefits of Parallel I/O in Ab Initio Nuclear Physics Calculations, ICCS 2009 Proceedings

Description: Many modern scientific applications rely on highly parallel calculations, which scale to 10's of thousands processors. However, most applications do not concentrate on parallelizing input/output operations. In particular, sequential I/O has been identified as a bottleneck for the highly scalable MFDn (Many Fermion Dynamics for nuclear structure) code performing ab initio nuclear structure calculations. In this paper, we develop interfaces and parallel I/O procedures to use a well-known parallel… more
Date: May 20, 2009
Creator: Laghave, Nikhil; Sosonkina, Masha; Maris, Pieter & Vary, James P.
open access

Electronic Structure Calculations and Adaptation Scheme in Multi-core Computing Environments

Description: Multi-core processing environments have become the norm in the generic computing environment and are being considered for adding an extra dimension to the execution of any application. The T2 Niagara processor is a very unique environment where it consists of eight cores having a capability of running eight threads simultaneously in each of the cores. Applications like General Atomic and Molecular Electronic Structure (GAMESS), used for ab-initio molecular quantum chemistry calculations, can be… more
Date: May 20, 2009
Creator: Seshagiri, Lakshminarasimhan; Sosonkina, Masha & Zhang, Zhao
open access

Hadron Production in Heavy Ion Collisions

Description: Heavy ion collisions are an ideal tool to explore the QCD phase diagram. The goal is to study the equation of state (EOS) and to search for possible in-medium modifications of hadrons. By varying the collision energy a variety of regimes with their specific physics interest can be studied. At energies of a few GeV per nucleon, the regime where experiments were performed first at the Berkeley Bevalac and later at the Schwer-Ionen-Synchrotron (SIS) at GSI in Darmstadt, we study the equation of st… more
Date: May 19, 2009
Creator: Ritter, Hans Georg & Xu, Nu
open access

Experimental Mathematics and Computational Statistics

Description: The field of statistics has long been noted for techniques to detect patterns and regularities in numerical data. In this article we explore connections between statistics and the emerging field of 'experimental mathematics'. These includes both applications of experimental mathematics in statistics, as well as statistical methods applied to computational mathematics.
Date: April 30, 2009
Creator: Bailey, David H. & Borwein, Jonathan M.
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