Bence-Jones protein - quantitative
Immunoglobulin light chains - urine; Urine Bence-Jones protein ... Bence-Jones proteins are a part of regular antibodies called light chains. These proteins are not normally in urine. Sometimes, when ...
Whicher, J T; Hawkins, L.; Higginson, J.
1980-01-01
Immunofixation in agarose gel has been compared with agarose electrophoresis for the detection of Bence Jones protein in urine. The technique has a sensitivity between five and 10 times greater than electrophoresis and allows the identification of multiple Bence Jones proteins and Bence Jones proteins with fast mobility in the presence of other urinary proteins. In four out of 12 patients studied, Bence Jones protein was undetectable by electrophoresis of 300 times concentrated urine but was ...
21 CFR 866.5150 - Bence-Jones proteins immunological test system.
2010-04-01
... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Bence-Jones proteins immunological test system. 866.5150 Section 866.5150 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN... bone marrow cells), leukemia (cancer of the blood-forming organs), and lymphoma (cancer of the...
Ana Lucia Nicastri
2001-06-01
Full Text Available The aim of this investigation was to evaluate the endocytosis of two Bence-Jones proteins by renal cells in order to elucidate the interference of their physical and chemical characteristics on nephrotoxicity. Bence-Jones proteins (AK and GL were purified and isolated from the urine of two patients with multiple myeloma. The isotype of both proteins was characterised as being human monoclonal lambda light chain. The AK protein presented mainly an Ip>7.0, a high content of galactose and a low amount of sialic acid molecules. On the other hand, the GL protein presented a single band with an Ip of 4.3, a higher level of sialic acid and a reduced amount of galactose, in comparison with the AK protein. Baby Hamster Kidney (BHK cells were maintained in culture in bottles at 37ºC, using DMEM culture media supplemented with 10% of calf serum with a pH of 7.4. Once the monolayer was observed to be confluent, the BHK cells were incubated with the two proteins, dissolved in a serum-free medium for 1, 5, 15, 30, 60 minutes and 24 hours. Control cells were established omitting the incubation with Bence-Jones proteins, but maintaining all of the other conditions. After, this the cells were washed, trypsinised, centrifuged and fixed in a solution of 4% paraformaldehyde and 0.5% glutaraldehyde on a 0.1 M, pH 7.4 phosphate buffer. Cells were processed for immunocytochemical reactions by using protein A coupled with colloidal gold and further silver enhancement. Semi-thin sections of the pellets were obtained and submitted to the cytochemical reactions. Detection of labelling was made by using light microscopy. It was observed that GL protein tended to be directed towards a perinuclear position, whereas the AK protein tended to suffer lysosomal deviation, suggesting that there is a direct contribution of physical and chemical characteristics on intracellular direction taken by Bence-Jones proteins.O objetivo deste trabalho foi avaliar a endocitose de duas prote
Nephrotoxicity of Bence-Jones proteins: interference in renal epithelial cell acidification
Nicastri A.L.
2002-01-01
Full Text Available The aim of the present study was to evaluate the acidification of the endosome-lysosome system of renal epithelial cells after endocytosis of two human immunoglobulin lambda light chains (Bence-Jones proteins, BJP obtained from patients with multiple myeloma. Renal epithelial cell handling of two BJP (neutral and acidic BJP was evaluated by rhodamine fluorescence. Renal cells (MDCK were maintained in culture and, when confluent, were incubated with rhodamine-labeled BJP for different periods of time. Photos were obtained with a fluorescence microscope (Axiolab-Zeiss. Labeling density was determined on slides with a densitometer (Shimadzu Dual-Wavelength Flying-Spot Scanner CS9000. Endocytosis of neutral and acidic BJP was correlated with acidic intracellular compartment distribution using acridine orange labeling. We compared the pattern of distribution after incubation of native neutral and acidic BJP and after complete deglycosylation of BJP by periodate oxidation. The subsequent alteration of pI converted neutral BJP to acidic BJP. There was a significant accumulation of neutral BJP in endocytic structures, reduced lysosomal acidification, and a diffuse pattern of acidification. This pattern was reversed after total deglycosylation and subsequent alteration of the pI to an acidic BJP. We conclude that the physicochemical characteristics of BJP interfere with intracellular acidification, possibly explaining the strong nephrotoxicity of neutral BJP. Lysosomal acidification is fundamental for adequate protein processing and catabolism.
Prado, M J; Nicastri, A L; Costa, P L; Rockman, T; Tersariol, I L; Nader, H B; Barros, R T; Prado, E B
1997-07-01
The aim of the present study was to evaluate renal and liver distribution of two monoclonal immunoglobulin light chains. The chains were purified individually from the urine of patients with multiple myeloma and characterized as lambda light chains with a molecular mass of 28 kDa. They were named BJg (high amount of galactose residues exposed) and BJs (sialic acid residues exposed) on the basis of carbohydrate content. A scintigraphic study was performed on male Wistar rats weighing 250 g for 60 min after i.v. administration of 1 mg of each protein (7.4 MBq), as the intact proteins and also after carbohydrate oxidation. Images were obtained with a Siemens gamma camera with a high-resolution collimator and processed with a MicroDelta system. Hepatic and renal distribution were established and are reported as percent of injected dose. Liver uptake of BJg was significantly higher than liver uptake of BJs (94.3 vs 81.4%) (P hepatic accumulation of both proteins and consequently a higher renal overload. The tissue distribution of periodate-treated BJg was similar to that of native BJs: 82.7 vs 81.4% in the liver and 17.3 vs 18.6% in the kidneys. These observations indicate the important role of sugar residues of Bence Jones proteins for their recognition by specific membrane receptors, which leads to differential tissue accumulation and possible toxicity. PMID:9361711
M.J.B.A. Prado
1997-07-01
Full Text Available The aim of the present study was to evaluate renal and liver distribution of two monoclonal immunoglobulin light chains. The chains were purified individually from the urine of patients with multiple myeloma and characterized as lambda light chains with a molecular mass of 28 kDa. They were named BJg (high amount of galactose residues exposed and BJs (sialic acid residues exposed on the basis of carbohydrate content. A scintigraphic study was performed on male Wistar rats weighing 250 g for 60 min after iv administration of 1 mg of each protein (7.4 MBq, as the intact proteins and also after carbohydrate oxidation. Images were obtained with a Siemens gamma camera with a high-resolution collimator and processed with a MicroDelta system. Hepatic and renal distribution were established and are reported as percent of injected dose. Liver uptake of BJg was significantly higher than liver uptake of BJs (94.3 vs 81.4% (P<0.05. This contributed to its greater removal from the intravascular compartment, and consequently lower kidney accumulation of BJg in comparison to BJs (5.7 vs 18.6% (P<0.05. After carbohydrate oxidation, there was a decrease in hepatic accumulation of both proteins and consequently a higher renal overload. The tissue distribution of periodate-treated BJg was similar to that of native BJs: 82.7 vs 81.4% in the liver and 17.3 vs 18.6% in the kidneys. These observations indicate the important role of sugar residues of Bence Jones proteins for their recognition by specific membrane receptors, which leads to differential tissue accumulation and possible toxicity
M.J.B.A. Prado; A.L. Nicastri; P.L.A. Costa; T. Rockman; Tersariol, I.L.S.; Nader, H B; R.T. Barros; E.B.A. Prado
1997-01-01
The aim of the present study was to evaluate renal and liver distribution of two monoclonal immunoglobulin light chains. The chains were purified individually from the urine of patients with multiple myeloma and characterized as lambda light chains with a molecular mass of 28 kDa. They were named BJg (high amount of galactose residues exposed) and BJs (sialic acid residues exposed) on the basis of carbohydrate content. A scintigraphic study was performed on male Wistar rats weighing 250 g for...
from the original phonetic transcription to the conventional orthography). Much unpublished work, ranging from lecture notes on the sound systems of French, Spanish and Italian, to hitherto unpublished details of Jones' dealings with celebrities such as George Bernard Shaw and the Poet Laureate Robert...... underrated, impact on the American structuralist school. This eight volume collection makes available the first editions of Jones' standard books, i.e. The Pronunciation of English (1909), An English Pronouncing Dictionary (1917) and An Outline of English Phonetics (1918). In addition, Jones' crucial...... pioneering works, now out of print for many decades, are made easily accessible to scholars once again. Numerous articles encompassing a variety of phonetic/phonological topics, for example, phonemic analysis, juncture, models of pronunciation, and historiography, are also included (converted where necessary...
D'ovidio, Francesco; Bohr, Henrik; Lindgård, Per-Anker
2005-01-01
We study the propagation of solitons along the hydrogen bonds of an alpha helix. Modeling the hydrogen and peptide bonds with Lennard-Jones potentials, we show that the solitons can appear spontaneously and have long lifetimes. Remarkably, even if no explicit solution is known for the Lennard-Jon....... The soliton phenomena described in the simulations of alpha helices may help to explain recent x-ray experiments on long alpha helices in Rhodopsin where a long lifetime of the vibrational modes has been observed....
Koltunud Indiana Jones / Kutt Kommel
Kommel, Kutt
2008-01-01
Steven Spielbergi neljas Indiana Jones'i film Harrison Fordiga nimiosas "Indiana Jones ja kristallpealuu kuningriik" ("Indiana Jones and the Kingdom of the Crystal Skull") : Ameerika Ühendriigid 2008
Jones, Ernest Beachcroft; Kingham, Edward G; Radnai, Rudolf
1985-01-01
Jones' Instrument Technology, Volume 5: Automatic Instruments and Measuring Systems deals with general trends in automatic instruments and measuring systems. Specific examples are provided to illustrate the principles of such devices. A brief review of a considerable number of standards is undertaken, with emphasis on the IEC625 Interface System. Other relevant standards are reviewed, including the interface and backplane bus standards. This volume is comprised of seven chapters and begins with a short introduction to the principles of automatic measurements, classification of measuring system
Indiana Jones ja kristallpealuu kuningriik / Jaanus Noormets
Noormets, Jaanus
2008-01-01
Steven Spielbergi neljas Indiana Jones'i film Harrison Fordiga nimiosas "Indiana Jones ja kristallpealuu kuningriik" ("Indiana Jones and the Kingdom of the Crystal Skull") : Ameerika Ühendriigid 2008
Stabiilne Ashley Jones / Svea Suvi
Suvi, Svea
2006-01-01
Ameerika teleseriaali "Vaprad ja ilusad" ("The Bold and the Beautiful") osatäitja Ashley Jones (Bridget Forrester). Sama artikkel pealkirjaga "Uus Bridget" : Nädal, 30. jan. 2006, nr. 4, lk. 12 : ill
Tagging, Encoding, and Jones Optimality
Danvy, Olivier; López, Pablo Ernesto Martínes
typed, however, residual programs are cluttered with type tags. To obtain the original source program, these tags must be removed. A number of sophisticated solutions have already been proposed. We observe, however, that with a simple representation shift, ordinary partial evaluation is already Jones...
NMR Quantum Calculations of the Jones Polynomial
Marx, Raimund; Kauffman, Louis; Lomonaco, Samuel; Spörl, Andreas; Pomplun, Nikolas; Myers, John; Glaser, Steffen J
2009-01-01
The repertoire of problems theoretically solvable by a quantum computer recently expanded to include the approximate evaluation of knot invariants, specifically the Jones polynomial. The experimental implementation of this evaluation, however, involves many known experimental challenges. Here we present experimental results for a small-scale approximate evaluation of the Jones Polynomial by nuclear-magnetic resonance (NMR), in addition we show how to escape from the limitations of NMR approaches that employ pseudo pure states. Specifically, we use two spin 1/2 nuclei of natural abundance chloroform and apply a sequence of unitary transforms representing the Trefoil Knot, the Figure Eight Knot and the Borromean Rings. After measuring the state of the molecule in each case, we are able to estimate the value of the Jones Polynomial for each of the knots.
Dow Jones tugevdab oma koostist / Virge Lahe
Lahe, Virge
2008-01-01
USA tööstusettevõtteid koondav indeks Dow Jones vahetab nimekirjast välja kaks firmat ning lisab finants- ja kütusesektori osakaalu suurendamiseks Bank of America ja Chevroni. Vt. samas: Dow Jonesi tööstuskeskmisse lisandumine pole aktsiatele tiibu andnud; Dow Jonesi tööstuskeskmine
Reduction U(VI) using jones reductor
Reduction of dissolved oxide uranium in sulfuric acid use of reductor Jones Zn (Hg) was carried out. The reduced uranium sulfate solution was analyzed its U(IV) by measuring its absorbance on 652 nm and compared to oxidation U(IV) solution with KMnO4 solution. It was found that the comparison was in a good agreement. However, measuring of absorbance of U(VI) solution on 429 nm result of oxidation U(IV) with KMnO4 solution was not change. (author)
A new two-variable generalization of the Jones polynomial
Goundaroulis, Dimos; Lambropoulou, Sofia
2016-01-01
We present a new 2-variable generalization of the Jones polynomial that can be defined through the skein relation of the Jones polynomial. The well-definedness of this new generalization is proved algebraically. We also give a closed combinatorial formula for this new classical link invariant.
Robert T. Jones, One of a Kind
Vincenti, Walter G.
2005-01-01
His contemporaries saw R.T. Jones as one of the notably creative aerodynamicists of the twentieth century. This essay reviews his remarkable life and career, including his years as a farm-country boy, college dropout, and fledgling airplane designer in Missouri, his time as an elevator operator and self-directed student in Washington, D.C., and his long professional career as an aerodynamicist at the Langley and Ames Aeronautical Laboratories and Stanford University. The focus in his career is on his fundamental discovery of the benefits of sweepback for the wings of high-speed airplanes. This includes speculation about his highly intuitive thought processes in arriving at his creative ideas. I also give an account of his work on blood flow and the mechanical heart, his avocational accomplishments as a maker of telescopes and violins, and his philosophical interest in human affairs.
Obituary: Frank Culver Jones, 1932-2007
Ormes, Johnathan F.; Streitmatter, Robert E.
2007-12-01
Frank C. Jones, an emeritus theoretical physicist at NASA, died May 2, 2007 at age 74 after a struggle with a rare form of cancer. He died at his home in Silver Spring, Maryland, surrounded by his family. Frank was born July 30, 1932 in Fort Worth, Texas, the oldest of three boys. His parents were Kenneth Hugh and Nancy Culver Jones. Frank's father was a lawyer, and his grandfather was a Methodist minister. Frank graduated from Rice University in 1954 and earned a master's degree in 1955 and a doctorate in 1961, both in physics, from the University of Chicago. He did his graduate work with Prof. John Simpson. Dr. Jones began his professional career as an instructor in physics at Princeton University before joining NASA's Goddard Space Flight Center in 1963 as a National Research Council associate. He subsequently became a member of the Theory Division and the Laboratory for High Energy Astrophysics. His area of expertise was the origin, transport, and electromagnetic interactions of cosmic rays. His particular focus was the stochastic physics related to the diffusion of particles in random fields, plasma turbulence, and the shock acceleration of charged particles in collisionless plasmas. From 1993 to 1995, Frank was head of Goddard's Theoretical High Energy Astrophysics Office and continued to serve as Head of the Theory group. In 2003 he served as Acting Chief of the Laboratory for High Energy Astrophysics. He retired in 2005 and continued his affiliation with NASA as an emeritus scientist at Goddard until his death. As a youngster, Frank showed the signs of curiosity and initiative that indicated he might become an experimentalist. At the memorial service for Frank, his brother related the stories of how Frank had rigged a hidden microphone to play through the family television as his brother courted a young woman on the front porch swing, and how one of Frank's early chemistry experiments caused all the family silverware to turn black. Although Frank started
Accurate Jones Matrix of the Practical Faraday Rotator
王林斗; 祝昇翔; 李玉峰; 邢文烈; 魏景芝
2003-01-01
The Jones matrix of practical Faraday rotators is often used in the engineering calculation of non-reciprocal optical field. Nevertheless, only the approximate Jones matrix of practical Faraday rotators has been presented by now. Based on the theory of polarized light, this paper presents the accurate Jones matrix of practical Faraday rotators. In addition, an experiment has been carried out to verify the validity of the accurate Jones matrix. This matrix accurately describes the optical characteristics of practical Faraday rotators, including rotation, loss and depolarization of the polarized light. The accurate Jones matrix can be used to obtain the accurate results for the practical Faraday rotator to transform the polarized light, which paves the way for the accurate analysis and calculation of practical Faraday rotators in relevant engineering applications.
2012-04-02
... Federal Register on February 8, 2012 (77 FR 6590). At the request of the New Jersey State agency, the... Employment and Training Administration Dow Jones & Company, Inc., Dow Jones Content Services Including On-Site Workers From Aerotek, Inc., Princeton, NJ; Amended Certification Regarding Eligibility To...
Triangular dissections, aperiodic tilings and Jones algebras
Coquereaux, Robert
1994-01-01
The Brattelli diagram associated with a given bicolored Dynkin-Coxeter graph of type A_n determines planar fractal sets obtained by infinite dissections of a given triangle. All triangles appearing in the dissection process have angles that are multiples of \\pi/ (n+1). There are usually several possible infinite dissections compatible with a given n but a given one makes use of n/2 triangle types if n is even. Jones algebra with index [ 4 \\ \\cos^2{\\pi \\over n+1}]^{-1} (values of the discrete range) act naturally on vector spaces associated with those fractal sets. Triangles of a given type are always congruent at each step of the dissection process. In the particular case n=4, there are isometric and the whole structure lead, after proper inflation, to aperiodic Penrose tilings. The other "tilings" associated with other values of the index are discussed and shown to be encoded by equivalence classes of infinite sequences (with appropriate constraints) using only n/2 digits (if n is even) and generalizing the ...
Chuck Jones lahkus, tema kangelased elavad edasi / Neeme Korv
Korv, Neeme, 1974-
2002-01-01
Suri Chuck Jones (1912-2002), kuulus USA animafilmirežissöör, kelle animasari "Tom & Jerry" on praegugi Eestis väga populaarne. Ta on loonud enam kui 300 animafilmi, saanud 3 Oscarit ning 1996. aastal ka elutöö Oscari. Eesti lapsed nägid nõukogude ajal esmakordselt Chuck Jones'i loomingut Raivo Järvi lastesaadetes "Laupäeval koos isaga"
Differential diagnosis of plasma cell dyscrasias in rheumatological practice
V I Vasilyev
2010-12-01
Conclusion. Many clinical and laboratory manifestations of primary PCD and RD are similar and only the absence of classical laboratory markers of autoimmune disease, as well as the presence of serum monoclonal immunoglobulins and urinary Bence Jones protein suggest the presence of PCD, both primary PCDs and those with RD.
Guts of surfaces and the colored Jones polynomial
Futer, David; Purcell, Jessica
2013-01-01
This monograph derives direct and concrete relations between colored Jones polynomials and the topology of incompressible spanning surfaces in knot and link complements. Under mild diagrammatic hypotheses, we prove that the growth of the degree of the colored Jones polynomials is a boundary slope of an essential surface in the knot complement. We show that certain coefficients of the polynomial measure how far this surface is from being a fiber for the knot; in particular, the surface is a fiber if and only if a particular coefficient vanishes. We also relate hyperbolic volume to colored Jones polynomials. Our method is to generalize the checkerboard decompositions of alternating knots. Under mild diagrammatic hypotheses, we show that these surfaces are essential, and obtain an ideal polyhedral decomposition of their complement. We use normal surface theory to relate the pieces of the JSJ decomposition of the complement to the combinatorics of certain surface spines (state graphs). Since state graphs have p...
The Dow-Jones,NASDAQ and the Standard & Poor Index
刘健平; 刘宏丽
2000-01-01
The Dow-Jones Industrial Average isthe most popular and best known measure ofstock prices on the New York Stock Ex-change.It is a list of the stocks of 30 majorAmerican companies.It is designed to showwhich directions stock prices are moving.Itis the one considered most important inworld money markets.Many investors mea-sure the health of all American stocks by theDow-Jones Industrial Average.It measuresthe average value of stocks sold on the New
Imaginando Palmares: a obra de Gayl Jones Imagining Palmares: the work of Gayl Jones
Stelamaris Coser
2005-12-01
Full Text Available O longo poema narrativo Song for Anninho (1981, da escritora negra Gayl Jones (Estados Unidos, interfere na narrativa da história colonial brasileira ao resgatar a figura feminina na República de Palmares, reescrever a saga de resistência dos palmaristas do ponto de vista imaginário de uma mulher negra do século XVII e, através dela, reinventar o cotidiano, os amores, as disputas e os sonhos das pessoas comuns que integravam o quilombo. O texto reflete sobre a verdade histórica, o aspecto construído de documentos, as seleções e exclusões da linguagem, e a importância do relato oral para o conhecimento de vivências e identidades à margem da história oficial. Nessa versão especial, o relato dramático do sonho, da luta e da destruição do mais famoso quilombo brasileiro usa a imaginação literária para expandir a memória e os arquivos de um dos fatos mais importantes da história das Américas, contribuindo para estimular o diálogo interamericano e iluminar a diáspora africana no Brasil e no continente.The long narrative poem Song for Anninho (1981, written by black U.S. writer Gayl Jones, interferes in the narrative of Brazilian colonial history as it highlights the female presence in the Republic of Palmares, rewrites the tale of resistance from the point of view of a black woman in the 17th Century, and, through her, reinvents the everyday lives, loves, disputes, and dreams of common people in the quilombo. The text reflects about historical truth, the constructed character of documents, selections and exclusions in language, and the importance of oral accounts to give visibility to experiences and identities marginalized by official history. In this special version, the dramatic report of the dreams, struggles, and destruction of the most famous Brazilian quilombo uses literary imagination to expand the memory and the archives of one of the most important facts in the history of the Americas, contributing to stimulate
Jones polynomials, volume, and essential knot surfaces: a survey
Futer, David; Kalfagianni, Efstratia; Purcell, Jessica S.
2011-01-01
This paper is a brief overview of recent results by the authors relating colored Jones polynomials to geometric topology. The proofs of these results appear in the papers [arXiv:1002.0256] and [arXiv:1108.3370], while this survey focuses on the main ideas and examples.
Free energy of the Lennard-Jones solid
Hoef, van der Martin A.
2000-01-01
We have determined a simple expression for the absolute Helmholtz free energy of the fcc Lennard-Jones solid from molecular dynamics simulations. The pressure and energy data from these simulations have been fitted to a simple functional form (18 parameters) for densities ranging from around 0.94–1.
Rhodessa Jones: Saving Lives Through Song and Story
Johnson, Courtney D.
2006-01-01
On October 16, CSW and the Center for Performance Studies hosted an appearance by Rhodessa Jones as part of a weeklong series on African American performance, and her performance/discussion was a rousing and poignant exploration of the role of art in the transformation of both hearts and politics.
Edward Burne-Jones' Heavenly Conception: A Biblical Cosmos
Cheney, L. D. G.
2016-01-01
Edward Burne-Jones was a Pre-Raphaelite artist and designer, who collaborated with William Morris on many decorative arts (stained glass windows, book illustrations, ceramic and tapestry designs). He was a founding partner in the firm Morris, Marshall, Faulkner & Company. Burne-Jones composed The Days of Creation between 1870 and 1876 for the Morris firm. These paintings were executed in gouache and gold paint, and cartoons were made for tile and in stained glass, for the Church of St. Editha at Tamworth in Staffordshire. Burne-Jones' creation was highly praised and elegantly described by Oscar Wilde: “The picture is divided into six compartments, each representing a day in the Creation of the World, under the symbol of an angel holding a crystal globe, within which is shown the work of a day.” This paper will examine how Burne-Jones visualized an unusual celestial creation where angels holding magical spheres unveil the divine manifestation for the creation of a terrestrial realm. He created a cosmic utopia of the natural world.
Are there Psychological Barriers in the Dow-Jones Index?
Eduardo Ley; Hal R. Varian
1994-01-01
The popular press attaches particular significance to certain numerical values of the Dow-Jones index. These magic numbers are referred to as `resistance levels' or `psychological barriers.' We examine 38 years of closing values of this index to see if it is of any help in predicting future stock market returns.
Cluster fusion algorithm: application to Lennard-Jones clusters
Solov'yov, Ilia; Solov'yov, Andrey V.; Greiner, Walter
2008-01-01
We present a new general theoretical framework for modelling the cluster structure and apply it to description of the Lennard-Jones clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing ...
Cluster fusion algorithm: application to Lennard-Jones clusters
Solov'yov, Ilia; Solov'yov, Andrey V.; Greiner, Walter
2006-01-01
We present a new general theoretical framework for modelling the cluster structure and apply it to description of the Lennard-Jones clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing ...
Public lecture | "Science and society" by Bob Jones | 22 May
2014-01-01
Public lecture: "Science and society: the impact of computing at CERN on society" by Bob Jones 22 May at 7.30 p.m. Globe of Science and Innovation Lecture in English, translated in French. Entrance free. Limited number of seats. Reservation essential: +41 22 767 76 76 or cern.reception@cern.ch
Indiana Jones on tagasi ja näitab, kuidas käituda / Kristiina Davidjants
Davidjants, Kristiina, 1974-
2008-01-01
22 mail esilinastub Steven Spielbergi järjekordne Indiana Jones'i film, kaasstsenaristiks ja produtsendiks George Lucas ja Harrison Fordiga nimiosas "Indiana Jones ja kristallpealuu kuningriik" ("Indiana Jones and the Kingdom of the Crystal Skull"). Saaga varasemast kolmest filmist
The Kauffman bracket and the Jones polynomial in quantum gravity
In the loop representation the quantum states of gravity are given by knot invariants. From general arguments concerning the loop transform of the exponential of the Chern-Simons form, a certain expansion of the Kauffman bracket knot polynomial can be formally viewed as a solution of the Hamiltonian constraint with a cosmological constant in the loop representation. The Kauffman bracket is closely related to the Jones polynomial. In this paper the operation of the Hamiltonian on the power expansions of the Kauffman bracket and Jones polynomials is analyzed. It is explicitly shown that the Kauffman bracket is a formal solution of the Hamiltonian constraint to third order in the cosmological constant. We make use of the extended loop representation of quantum gravity where the analytic calculation can be thoroughly accomplished. Some peculiarities of the extended loop calculus are considered and the significance of the results to the case of the conventional loop representation is discussed. (orig.)
Tubo de Lester-Jones: indicações e resultados Lester-Jones tube: indications and results
Walberto Passos Junior
2004-12-01
Full Text Available OBJETIVO: Avaliar as indicações, resultados e complicações advindas do seu uso. MÉTODOS: Avaliaram-se retrospectivamente 25 pacientes submetidos a 27 conjuntivorrinostomias com colocação de tubo de Lester-Jones. Foram estudados os dados do portador, a etiologia da afecção e as complicações que ocorreram no intra e no pós-operatório. Os dados foram avaliados segundo a freqüência de ocorrência. RESULTADOS: O tubo de Lester-Jones foi usado igualmente em ambos os sexos, mais em indivíduos abaixo dos 10 ou acima dos 50 anos de idade. As causas mais freqüentes para utilização foram a idiopática ou a agenesia congênita de pontos e canalículos. Houve melhora dos sintomas em 88% dos pacientes. Complicações ocorreram em 59,25% dos casos, dentre as quais: extrusão (40,74% e a migração (14,8% do tubo. CONCLUSÃO: Apesar das complicações observadas, o índice de cura com a utilização do tubo de Lester-Jones é alto, sendo boa opção para o tratamento das obstruções lacrimais altas.PURPOSE: To evaluate the results and the complications occurring with this procedure. METHODS: The authors retrospectively reviewed charts of 25 patients (27 lacrimal viers with upper lacrimal system obstruction who underwent conjunctivorhinostomy and Lester-Jones tube bypass. The patients were evaluated according to gender, causative factors and the com plications during and after surgery. The data were submitted to statistical analysis. RESULTS: The Lester-Jones bypass tube was used in both sexes and most frequently in patients under 10 or above 50 years. The most common obstructive factor was unknown and congenital agenesis. Eighty-eight per cent of the patients had no epiphora at the end of the treatment. Complications occurred in 59.25% of the patients, most of them related to tube extrusion (40.74% or migration (14.8%. The authors concluded that the Lester-Jones bypass tube is a good option to treat the upper lacrimal obstruction, in spite
Environmental Groundwater Monitoring of Jones Creek Field, Niger Delta, Nigeria
Felix C. Ugbe
2012-01-01
Groundwater monitoring exercise was carried out in Jones Creek field of Western Niger Delta. The aim was to ascertain the groundwater status of the area where oil exploration has been carried out for over four decades. Ten boreholes were drilled to capture the ground water flow direction. Both in situ and laboratory analyses were conducted on the water samples to ascertain whether or not there is contamination. The status of the groundwater indicates that it meets WHO maximum permissible stan...
Marine geophysics. By E.J.W. Jones
Rao, D.G.
at the National Institute of Oceanography, Goa, India, I read the book AMarine GeophysicsB written by Prof. E.J.W. Jones with great interest. I must place on record the author’s efforts to deal with all disciplines in marine geophysics fully covering basic... global positioning system, acoustic navigation and integrated navigation systems were also explained in order to optimize the advantages of each. This basic information is definitely useful to the budding re- searchers. Chapter 3 outlines different...
Hopping in a supercooled binary Lennard-Jones liquid
Schrøder, Thomas; Dyre, Jeppe
1998-01-01
A binary LennardJones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function. To......", as often argued, and that the system has a single-peaked distribution of hopping-distances centered around the characteristic intermolecular distance....
The homological content of the Jones representations at $q = -1$
Egsgaard, Jens Kristian; Fuglede Jørgensen, Søren
We generalize a discovery of Kasahara and show that the Jones representations of braid groups, when evaluated at $q = -1$, are related to the action on homology of a branched double cover of the underlying punctured disk. As an application, we prove for a large family of pseudo-Anosov mapping cla...... classes a conjecture put forward by Andersen, Masbaum, and Ueno by extending their original argument for the sphere with four marked points to our more general case....
A Viola-Jones based hybrid face detection framework
Murphy, Thomas M.; Broussard, Randy; Schultz, Robert; Rakvic, Ryan; Ngo, Hau
2013-12-01
Improvements in face detection performance would benefit many applications. The OpenCV library implements a standard solution, the Viola-Jones detector, with a statistically boosted rejection cascade of binary classifiers. Empirical evidence has shown that Viola-Jones underdetects in some instances. This research shows that a truncated cascade augmented by a neural network could recover these undetected faces. A hybrid framework is constructed, with a truncated Viola-Jones cascade followed by an artificial neural network, used to refine the face decision. Optimally, a truncation stage that captured all faces and allowed the neural network to remove the false alarms is selected. A feedforward backpropagation network with one hidden layer is trained to discriminate faces based upon the thresholding (detection) values of intermediate stages of the full rejection cascade. A clustering algorithm is used as a precursor to the neural network, to group significant overlappings. Evaluated on the CMU/VASC Image Database, comparison with an unmodified OpenCV approach shows: (1) a 37% increase in detection rates if constrained by the requirement of no increase in false alarms, (2) a 48% increase in detection rates if some additional false alarms are tolerated, and (3) an 82% reduction in false alarms with no reduction in detection rates. These results demonstrate improved face detection and could address the need for such improvement in various applications.
Quantum algorithms for virtual Jones polynomials via Thistlethwaite theorems
Vélez, Mario; Ospina, Juan
2010-04-01
Recently a quantum algorithm for the Jones polynomial of virtual links was proposed by Kauffman and Dye via the implementation of the virtual braid group in anyonic topological quantum computation when the virtual crossings are considered as generalized swap gates. Also recently, a mathematical method for the computation of the Jones polynomial of a given virtual link in terms of the relative Tuttle polynomial of its face (Tait) graph with some suitable variable substitutions was proposed by Diao and Hetyei. The method of Diao and Hetyei is offered as an alternative to the ribbon graph approach according to which the Tutte polynomial of a given virtual link is computed in terms of the Bollobás- Riordan polynomial of the corresponding ribbon graph. The method of Diao and Hetyei can be considered as an extension of the celebrated Thistlethwaite theorem according to which invariant polynomials for knots and links are derived from invariant polynomials for graphs. Starting from these ideas we propose a quantum algorithm for the Jones polynomial of a given virtual link in terms of the generalized Tutte polynomials by exploiting the Thistlethwaite theorem and the Kauffman algorithm . Our method is claimed as the quantum version of the Diao-Hetyei method. Possible supersymmetric implementations of our algortihm are discussed jointly with its formulations using topological quantum lambda calculus.
Structure diagram of binary Lennard-Jones clusters
Mravlak, Marko; Kister, Thomas; Kraus, Tobias; Schilling, Tanja
2016-07-01
We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions, and interaction energies and present a publicly accessible database of 180 000 minimal energy structures (http://softmattertheory.lu/clusters.html). We identify a variety of structures such as core-shell clusters, Janus clusters, and clusters in which the minority species is located at the vertices of icosahedra. Such clusters can be synthesized from nanoparticles in agglomeration experiments and used as building blocks in colloidal molecules or crystals. We discuss the factors that determine the formation of clusters with specific structures.
The BQP-hardness of approximating the Jones polynomial
Aharonov, Dorit; Arad, Itai
2011-03-01
A celebrated important result due to Freedman et al (2002 Commun. Math. Phys. 227 605-22) states that providing additive approximations of the Jones polynomial at the kth root of unity, for constant k=5 and k>=7, is BQP-hard. Together with the algorithmic results of Aharonov et al (2005) and Freedman et al (2002 Commun. Math. Phys. 227 587-603), this gives perhaps the most natural BQP-complete problem known today and motivates further study of the topic. In this paper, we focus on the universality proof; we extend the result of Freedman et al (2002) to ks that grow polynomially with the number of strands and crossings in the link, thus extending the BQP-hardness of Jones polynomial approximations to all values to which the AJL algorithm applies (Aharonov et al 2005), proving that for all those values, the problems are BQP-complete. As a side benefit, we derive a fairly elementary proof of the Freedman et al density result, without referring to advanced results from Lie algebra representation theory, making this important result accessible to a wider audience in the computer science research community. We make use of two general lemmas we prove, the bridge lemma and the decoupling lemma, which provide tools for establishing the density of subgroups in SU(n). Those tools seem to be of independent interest in more general contexts of proving the quantum universality. Our result also implies a completely classical statement, that the multiplicative approximations of the Jones polynomial, at exactly the same values, are #P-hard, via a recent result due to Kuperberg (2009 arXiv:0908.0512). Since the first publication of those results in their preliminary form (Aharonov and Arad 2006 arXiv:quant-ph/0605181), the methods we present here have been used in several other contexts (Aharonov and Arad 2007 arXiv:quant-ph/0702008; Peter and Stephen 2008 Quantum Inf. Comput. 8 681). The present paper is an improved and extended version of the results presented by Aharonov and Arad
Stereotype Threat Paradigm in Search of a Phenomenon: A Comment on Kellow and Jones's (2008) Study
Whaley, Arthur L.
2009-01-01
In a recent study, Kellow and Jones apply the stereotype threat paradigm to a sample of African American students attending an urban high school. The purpose of this commentary is to provide a conceptual and methodological critique of Kellow and Jones's study. Implications for the role of Black psychologists in evaluating research on African…
Nucleation for Lennard-Jones Fluid by Density Functional Theory
FU Dong
2005-01-01
@@ A non-mean field density functional theory is employed to investigate the vapour-liquid nucleation. The excess Helmholtz free energy functional is formulated in terms of a local density approximation for short ranged repulsion and a density-gradient expansion for long-ranged attractions. An analytical expression for the direct correlation function of a Lennard-Jones fluid is utilized to take into account the effect of long-ranged attractions on intermolecular correlations. With the predicted bulk properties and surface tension as input, the nucleation properties including density profile, work of formation and number of particles at the reduced temperatures T* = 0.694 and 0.741 are inuestigated. The obtained number of particles in the critical nucleus agrees well with the simulation data.
Vectorial polarization modes platform realized with Jones vectors in mathematica
Choi, Yong-Dae; Yun, Hee-Joong
2015-09-01
The fundamental concept in physics of polarization propagation of electromagnetic waves is newly understood to be a cardinal keyword in quantum cryptography transport technology and the Standard Model. Interactive visualization of the propagation mechanism of polarized electromagnetism in a medium with its helicity has received attention recently from scientists in the age of information and communication. This study presents a new dynamic polarization platform that presents the polarization modes of a transverse electromagnetic wave by using Jones vectors calculations in the symbolic program Mathematica to convert the state of polarization through the arrangement of the optical elements. The platform simulates a propagation process that satisfies Maxwell's two vector equations precisely with the vectorial nature of the electromagnetic wave.
The Lennard-Jones melting line and isomorphism
Heyes, D. M.; Brańka, A. C.
2015-12-01
The location of the melting line (ML) of the Lennard-Jones (LJ) system and its associated physical properties are investigated using molecular dynamics computer simulation. The radial distribution function and the behavior of the repulsive and attractive parts of the potential energy indicate that the ML is not a single isomorph, but the isomorphic state evolves gradually with temperature, i.e., it is only "locally isomorphic." The state point dependence of the unitless isomorphic number, X ˜ , for a range of static and dynamical properties of the LJ system in the solid and fluid states, and for fluid argon, are also reported. The quantity X ˜ typically varies most with state point in the vicinity of the triple point and approaches a plateau in the high density (temperature) limit along the ML.
More on the melting of Lennard-Jones clusters
The melting of 13-atom clusters interacting via Lennard-Jones potentials has been revisited using molecular dynamics coupled to steepest descent quenches. A procedure was devised to account for the fraction of times the global and local minima of the potential energy surface are accessed during a long trajectory. This quantity presents a sigmoid shape. A phenomenological model of melting is given in terms of a correlated walk that maps the short time excursions among the global and local minima in configuration space. Comparison between the simulation results and the theoretical model shows that the melting transition is well described in terms of the temperature changes of the fraction of high energy minima accessed during the cluster trajectory. Cooperativity is clear from the S shape of this quantity, i.e., the access to a local minimum favours the access to other local minima. (orig.)
Structure and dynamics of Lennard-Jones clusters with impurities
Molecular dynamics simulations and Lennard-Jones potentials have been used to study binary mixed clusters. The low temperature structures, impurity solvation and the melting and freezing transitions for different values of the relative atomic size and interaction energy have been studied for A13B, A12B, A55B and A13B13 clusters. For A13B large impurities do not solvate even for high interaction energy. For A55B larger impurities remain on the surface for low interaction energies but solvate as the energy of interaction increases. The presence of the impurity very strongly affects the solid-liquid transition. Icosahedral structures remain as the minimum energy configurations for A13B13 clusters with atoms of the same size and different interaction energies. For A13B13 clusters with atoms of the same interaction energy and different size, smaller atoms go inside surrounded by the bigger surface atoms. (orig.)
Freezing point depression in model Lennard-Jones solutions
Koschke, Konstantin; Jörg Limbach, Hans; Kremer, Kurt; Donadio, Davide
2015-09-01
Crystallisation of liquid solutions is of uttermost importance in a wide variety of processes in materials, atmospheric and food science. Depending on the type and concentration of solutes the freezing point shifts, thus allowing control on the thermodynamics of complex fluids. Here we investigate the basic principles of solute-induced freezing point depression by computing the melting temperature of a Lennard-Jones fluid with low concentrations of solutes, by means of equilibrium molecular dynamics simulations. The effect of solvophilic and weakly solvophobic solutes at low concentrations is analysed, scanning systematically the size and the concentration. We identify the range of parameters that produce deviations from the linear dependence of the freezing point on the molal concentration of solutes, expected for ideal solutions. Our simulations allow us also to link the shifts in coexistence temperature to the microscopic structure of the solutions.
Water in the presence of inert Lennard-Jones obstacles
Kurtjak, Mario; Urbic, Tomaz
2014-04-01
Water confined by the presence of a 'sea' of inert obstacles was examined. In the article, freely mobile two-dimensional Mercedes-Benz (MB) water put to a disordered, but fixed, matrix of Lennard-Jones disks was studied by the Monte Carlo computer simulations. For the MB water molecules in the matrix of Lennard-Jones disks, we explored the structures, hydrogen-bond-network formation and thermodynamics as a function of temperature and size and density of matrix particles. We found that the structure of model water is perturbed by the presence of the obstacles. Density of confined water, which was in equilibrium with the bulk water, was smaller than the density of the bulk water and the temperature dependence of the density of absorbed water did not show the density anomaly in the studied temperature range. The behaviour observed as a consequence of confinement is similar to that of increasing temperature, which can for a matrix lead to a process similar to capillary evaporation. At the same occupancy of space, smaller matrix molecules cause higher destruction effect on the absorbed water molecules than the bigger ones. We have also tested the hypothesis that at low matrix densities the obstacles induce an increased ordering and 'hydrogen bonding' of the MB model molecules, relative to pure fluid, while at high densities the obstacles reduce MB water structuring, as they prevent the fluid to form good 'hydrogen-bonding' networks. However, for the size of matrix molecules similar to that of water, we did not observe this effect.
Die sondeleer in die apologetiek van Dr. D. Martyn Lloyd-Jones / Johannes Louis Aucamp
Aucamp, Johannes Louis
2004-01-01
1. The central theoretical argument of this study is that Dr. D. Martyn Lloyd-Jones maintains a true and Biblical view of sin and that he sets off his view meaningfully and apologetically against unbiblical views regarding sin. The purpose of the study is to investigate Lloyd-Jones's view of sin and to indicate that it can at present be applied meaningfully and apologetically. 2. To develop and substantiate this argument, the following procedure has been followed: 2.1. Lloyd-Jones's the...
Modified Kenneth Jones criteria for diagnosing tuberculous meningitis in children
To evaluate accuracy of modified Kenneth Jones scoring criteria (MKJSC) as a screening tool to diagnose tuberculous meningitis in children. Study Design: Cross-sectional study. Place and Duration of Study: Paediatric Medicine, Unit-I, Bahawal Victoria Hospital, Bahawalpur, from May 2006 to March 2007. Methodology: A total of 100 children admitted through emergency in Paediatric Medicine, Unit-I, were included who were having fever and features suggestive of central nervous system (CNS) infection. Lumbar puncture was done in all patients after written consent. Findings of lumbar puncture were taken as gold standard for the diagnosis of TBM. MKJSC was applied on each patient and accuracy determined against the gold standard. Results: Out of 100 children, 47 were diagnosed as TBM on the basis of CSF results. All children had scored 0-7 or above according to MKJSC. A score 1-2, 3-4, 5-6 and 7 or more was obtained in 23, 25, 30 and 22 children respectively. Children who had scored 5 or more received ATT. Accuracy of MKJSC was calculated to be 91%. Conclusion: MKJSC is a simple and accurate tool to improve tuberculous meningitis case detection rate in children. (author)
Metastable Lennard-Jones fluids. II. Thermal conductivity.
Baidakov, Vladimir G; Protsenko, Sergey P
2014-06-01
The method of equilibrium molecular dynamics with the use of the Green-Kubo formalism has been used to calculate the thermal conductivity λ in stable and metastable regions of a Lennard-Jones fluid. Calculations have been made in the range of reduced temperatures 0.4 ≤ T* = k(b)T/ε ≤ 2.0 and densities 0.01 ≤ ρ* = ρσ³ ≤ 1.2 on 15 isotherms for 234 states, 130 of which refer to metastable regions: superheated and supercooled liquids, supersaturated vapor. Equations have been built up which describe the dependence of the regular part of the thermal conductivity on temperature and density, and also on temperature and pressure. It has been found that in (p, T) variables in the region of a liquid-gas phase transition a family of lines of constant value of excess thermal conductivity Δλ = λ - λ0, where λ0 is the thermal conductivity of a dilute gas, has an envelope which coincides with the spinodal. Thus, at the approach to the spinodal of a superheated liquid and supersaturated vapor (∂Δλ/∂p)T → ∞, (∂Δλ/∂T)p → ∞. PMID:24908025
Environmental Groundwater Monitoring of Jones Creek Field, Niger Delta, Nigeria
Felix C. Ugbe
2012-05-01
Full Text Available Groundwater monitoring exercise was carried out in Jones Creek field of Western Niger Delta. The aim was to ascertain the groundwater status of the area where oil exploration has been carried out for over four decades. Ten boreholes were drilled to capture the ground water flow direction. Both in situ and laboratory analyses were conducted on the water samples to ascertain whether or not there is contamination. The status of the groundwater indicates that it meets WHO maximum permissible standards acceptable for domestic purposes. The water is mildly acidic due to the gas flaring associated with exploitation activities. The water is devoid of contamination of oil and grease but has appreciably high iron content thereby requiring treatment to enhance groundwater quality for domestic purposes. The observed high TDS may be due to the incursion of saline water into the phreatic zone. The study establishes the fact that oil exploration and exploitation companies have over the years been adopting environmentally friendly strategies to conserve the prolific aquifer of the area.
Diffusion Time-Scale Invariance, Markovization Processes and Memory Effects in Lennard-Jones Liquids
Yulmetyev, Renat M.; Mokshin, Anatolii V.; Hänggi, Peter
2004-01-01
We report the results of calculation of diffusion coefficients for Lennard-Jones liquids, based on the idea of time-scale invariance of relaxation processes in liquids. The results were compared with the molecular dynamics data for Lennard-Jones system and a good agreement of our theory with these data over a wide range of densities and temperatures was obtained. By calculations of the non-Markovity parameter we have estimated numerically statistical memory effects of diffusion in detail.
Jones calculus modeling and analysis of the thermal distortion in a Ti:sapphire laser amplifier.
Cho, Seryeyohan; Jeong, Jihoon; Yu, Tae Jun
2016-06-27
The mathematical modeling of an anisotropic Ti:sapphire crystal with a significant thermal load is performed. The model is expressed by the differential Jones matrix. A thermally induced distortion in the chirped-pulse amplification process is shown by the solution of the differential Jones matrix. Using this model, the thermally distorted spatio-temporal laser beam shape is calculated for a high-power and high-repetition-rate Ti:sapphire amplifier. PMID:27410590
Regulatory restrictions and energy: The impact of the Jones Act on spot gasoline prices
The purpose of the present study is to estimate the effects of the Jones Act on spot gasoline prices. Although the Jones Act pertains to the domestic shipment of all types of goods, the present study will only focus on gasoline. The present study will use data obtained from the Energy Information Administration in order to determine if the price of gasoline declined during Jones Act waiver periods. Looking at daily prices, the results regarding the effects of the Jones Act on spot gasoline prices are mixed. When using a t-test, the results indicated either that there was no significant difference or that prices were actually higher during the waiver periods. When using a first-order autoregressive model, it was found that prices were lower during the 2005 waiver period but higher during the 2012 waiver. Given these inconclusive results, it is not possible to conclude that the Jones Act restrictions contribute to higher gasoline prices. - Highlights: • I examine the effect of the Jones Act on spot gasoline prices. • I use daily price data over a seven year period. • I find that the results are mixed. • For the Hurricane Katrina waiver, prices fell, but for the Hurricane Sandy waiver, prices rose
Die Dag van die Here in As Silo kom van Hennie Jones
P. Verster
1999-05-01
Full Text Available The Day of the Lord in As Silo kom (When Silo comes by Hennie JonesAs Silo kom (When Silo comes by Hennie Jones is an important novel in view of the fact that biblical themes like those of the Messianic child and the Day of the Lord are incorporated in and dealt with extensively in the novel. The way in which the Day of the Lord is described in the Bible emphasizes that it will be a day of judgement for Israel and the other nations - a given that became a fixed concept for post-exilic prophets. The Day of the Lord, however, holds not only judgement but also salvation for Israel and the other nations. The question asked in this article is whether these functions of the Day of the Lord become clear enough in Jones' novel.
Gingival Enlargement in a Case of Variant Jones Syndrome: a Case Report
DA, Roopa; Singh, Shinkhala; Gupta, Ira; Gopal, Saumiya
2016-01-01
Gingival enlargement can be caused by a variety of etiological factors like inflammation, drugs, and systemic diseases or can be presented as a part of a syndrome. One such syndrome is Jones Syndrome, which is associated with gingival enlargement and progressive hearing loss. We present here a case of fifteen-year-old boy with gingival enlargement, hearing loss, and generalized alveolar bone loss and diagnosed as Jones syndrome. The diagnosis was made based on history, clinical, radiographic, and histopathological findings. Gingival enlargement was surgically managed using gingivectomy and no recurrence was observed. The patient showed remarkable esthetical and functional improvement. PMID:26966711
Investigation of the Role of Coordination Number in the Lennard-Jones-Devonshire Theory
Vakili-Nezhaad, Gholamreza
2007-01-01
The theory of Lennard-Jones-Devonshire (LJD) has been studied for more than six decades by many researchers. Recently, Magee and Wilding have shown that in addition to the critical point originally reported for the 12–6 Lennard-Jones potential, the model exhibits a further critical point. In the present work, the effect of coordination number on the pressure-volume-temperature behavior of systems represented by the LJD-based equation of state was investigated. It was found that by varying ...
The SL_3 Jones polynomial of the trefoil: a case study of $q$-holonomic sequences
Garoufalidis, Stavros; Koutschan, Christoph
2010-01-01
The SL_3 colored Jones polynomial of the trefoil knot is a $q$-holonomic sequence of two variables with natural origin, namely quantum topology. The paper presents an explicit set of generators for the annihilator ideal of this $q$-holonomic sequence as a case study. On the one hand, our results are new and useful to quantum topology: this is the first example of a rank 2 Lie algebra computation concerning the colored Jones polynomial of a knot. On the other hand, this work illustrates the ap...
OXYGEN TRANSFER EFFICIENCY SURVEYS AT THE JONES ISLAND TREATMENT PLANTS - 1985-1988
Ceramic plate diffusers were among the earliest forms of fine pore diffusers used for oxygen transfer in activated sludge treatment. They have been successfully used for over 60 years in the Jones Island West Plant of the Milwaukee Metropolitan Sewerage District and, since initia...
Creative Imagination and Subjective Agency in Wynne-Jones' "The Maestro"
Cairns, Sue Ann
2009-01-01
The Canadian young adult novel "The Maestro" by Tim Wynne-Jones foregrounds the relationship between imagination and subjective agency. While Burl uses his imagination at the beginning to protect himself from his abusive father, his fantasies become dress rehearsals for small performances that allow him to try on new identities and exercise…
On the Farrell-Jones Conjecture for higher algebraic K-theory
Bartels, A; Reich, H
2003-01-01
We prove the Farrell-Jones Isomorphism Conjecture about the algebraic K-theory of a group ring RG in the case where the group G is the fundamental group of a closed Riemannian manifold with strictly negative sectional curvature. The coefficient ring R is an arbitrary associative ring with unit and the result applies to all dimensions.
Baron, Christopher; Hamlin, Christopher
2015-01-01
Between 1906 and 1909 the biologist Ronald Ross and the classicist W.H.S. Jones pioneered interdisciplinary research in biology and history in advancing the claim that malaria had been crucial in the decline of golden-age Greece (fourth century BCE). The idea had originated with Ross, winner of the Nobel Prize for demonstrating the importance of…
Martínez-Roldan, Carmen M.
2013-01-01
This study illustrates the presence of Mock Spanish in some English-based picture books and the ways this usage misrepresents Latino people, language, and culture. The author conducted a critical content analysis of five Skippyjon Jones books. Her guiding question was, How is language used, particularly Spanish, in these English texts, and what…
Enhancing Undergraduates' Capabilities through Team-Based Competitions: The Edward Jones Challenge
Umble, Elisabeth J.; Umble, Michael; Artz, Kendall
2008-01-01
The Edward Jones Company recently initiated financial sponsorship of team-based competitions in six undergraduate business core classes at Baylor University. The challenges were chosen to take place in an introductory freshman business class, Managerial Accounting, Principles of Marketing, Corporate Finance, Operations Management, and Strategic…
"Armastuse retsepti" tippkokk Zeta Jones ei oska muna keeta / Triin Tael
Tael, Triin
2007-01-01
Scott Hicksi romantiline komöödiafilm "Armastuse retsept" ("No Reservations"), mille peaosas Walesist pärit näitlejanna Catherine Zeta Jones. Näitlejanna muljeid oma rolliks ettevalmistustest, mille hulka käis ka praktika pärisrestoranis
Thermodynamic Perturbation Theory for Solid-Liquid Phase Transition of Lennard-Jones Model
ZHOUShi-Qi; ZHANGXiao-Qi
2004-01-01
Both a free volume approach for Helmholtz free energy and a theoretically-based fitted formula for radial distribution function (rdf) of hard sphere solid are employed to describe the Helmholtz free energy of Lennard-Jones solid in the framework of the first order thermodynamic perturbation theory, which also is employed for the uniform Lennard Jones fluid. The dividing of the Lennard-Jones potential follows from the INCA prescription, but the specification of the equivalent hard sphere diameter is determined by a simple iteration procedure devised originally for liquid state, but extended to solid state in the present study. Two hundred shells are used in the rdf to get an accurate perturbation term.The present approach is very accurate for the description of excess Helmholtz free energy of LJ solid, but shows some deviation from the simulation for excess Helmholtz free energy of uniform LJ fluid when the reduced temperature kT/ε is higher then 5. The present approach is satisfactory for description of solid-liquid phase transition of the Lennard-Jones model.
Thermodynamic Perturbation Theory for Solid-Liquid Phase Transition of Lennard-Jones Model
ZHOU Shi-Qi; ZHANG Xiao-Qi
2004-01-01
Both a free volume approach for Helmholtz free energy and a theoretically-based fitted formula for radial distribution function (rdf) of hard sphere solid are employed to describe the Helmholtz free energy of Lennard-Jones solid in the framework of the first order thermodynamic perturbation theory, which also is employed for the uniform LennardJones fluid. The dividing of the Lennard-Jones potential follows from the WCA prescription, but the specification of the equivalent hard sphere diameter is determined by a simple iteration procedure devised originally for liquid state, but extended to solid state in the present study. Two hundred sheiks are used in the rdf to get an accurate perturbation term.The present approach is very accurate for the description of excess Helmholtz free energy of LJ solid, but shows some deviation from the simulation for excess Helmholtz free energy of uniform LJ fluid when the reduced temperature kT/ε is higher then 5. The present approach is satisfactory for description of solid-liquid phase transition of the Lennard-Jones model.
The Game TV Plays: Or, Why an English Teacher Came to Hate Barnaby Jones.
Shaw, Patrick W.
The message of current popular television shows in which the hero is, or appears to be, a dumb clod (e.g., Archie Bunker, Fred Sanford, Columbo, and Barnaby Jones), apparently is that corruption may be equated with articulation, wealth, and education, while virtue may be equated with poverty and, often, illiteracy. Unfortunately, the effect of…
Käsitsi tegemise võlu / David Jones ; intervjueerinud Kai Lobjakas
Jones, David, 1953-
2010-01-01
10. Kohila keraamikasümpoosionil osalenud briti keraamik ja teoreetik David Jones endast, rakutehnikast, huvist põletamisega seonduvate teemade vastu, Kohila sümpoosioni raames tehtust, keraamika õpetamisest Inglismaal, käsitöö ja keraamika positsioonist praegu ja tulevikus jm.
Fusion process of Lennard-Jones clusters: global minima and magic numbers formation
Solov'yov, Ilia; Solov'yov, Andrey V.; Greiner, Walter
2004-01-01
We present a new theoretical framework for modeling the fusion process of Lennard–Jones (LJ) clusters. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing paths up to the cluster size of 150 atoms...
SUN Zong-Li; KANG Yan-Shuang
2011-01-01
Classical density functional theory is used to study the associating Lennard Jones fluids in contact with spherical hard wall of different curvature radii. The interfacial properties including contact density and fluid-solid interfacial tension are investigated. The influences of associating energy, curvature of hard wall and the bulk density of Huids on these properties are analyzed in detail. The results may provide helpful clues to understand the interfacial properties of other complex fluids.%@@ Classical density functional theory is used to study the associating Lennard Jones fluids in contact with spherical hard wall of different curvature radii.The interfacial properties including contact density and fluid-solid intcrfacial tension are investigated.The influences of associating energy, curvature of hard wall and the hulk density of fluids on these properties are analyzed in detail.The results may provide helpful clues to understand the interfacial properties of other complex fluids.
Long range correction for multi-site Lennard-Jones models and planar interfaces
Werth, Stephan; Horsch, Martin; Vrabec, Jadran; Hasse, Hans
2015-01-01
A slab based long range correction approach for multi-site Lennard-Jones models is presented for systems with a planar film geometry that is based on the work by Janecek, J. Phys. Chem. B 110: 6264 (2006). It is efficient because it relies on a center-of-mass cutoff scheme and scales in terms of numerics almost perfectly with the molecule number. For validation, a series of simulations with the two-center Lennard-Jones model fluid, carbon dioxide and cyclohexane is carried out. The results of the present approach, a site-based long range correction and simulations without any long range correction are compared with respect to the saturated liquid density and the surface tension. The present simulation results exhibit only a weak dependence on the cutoff radius, indicating a high accuracy of the implemented long range correction.
A Lennard-Jones embedded-atom potential and its application to the study of melting
王暾; 周富信; 刘曰武
2002-01-01
The nearest-neighbour Lennard-Jones potential from the embedded-atom method is extended to a form thatincludes more than nearest neighbours. The model has been applied to study melting with molecular dynamics. Thecalculated melting point, fractional volume change on melting, heat of fusion and linear coefficients of thermal expansionare in good agreement with experimental data. We have found that the second and third neighbours influence the meltingpoint distinctly.
Effect of Energy Polydispersity on the Nature of Lennard-Jones Liquids
Ingebrigtsen, Trond S.; Tanaka, Hajime
2016-01-01
In the companion paper [T. S. Ingebrigtsen and H. Tanaka, J. Phys. Chem. B 119, 11052 (2015)] the effect of size polydispersity on the nature of Lennard-Jones (LJ) liquids, which represent most molecular liquids without hydrogen bonds, was studied. More specifically, it was shown that even highly size polydisperse LJ liquids are Roskilde-simple (RS) liquids. RS liquids are liquids with strong correlation between constant volume equilibrium fluctuations of virial and potential energy and are s...
Designing for the future: a post-occupancy evaluation of the Peter Jones Learning Centre
Pizzuti-Ashby, Jacqueline Grace
2013-01-01
This exploratory study examines the Peter Jones Learning Centre’s (PJLC) transition from a quiet, autonomous interior to a learning commons model encouraging collaboration and socialization. Located at University of the Fraser Valley (UFV) in British Columbia, the PJLC has been revitalized to support new learning theories, in addition to providing a hub for students’ involvement and engagement on campus. Research in the planning, function, and utilization of non-formal learning environments i...
PENDETEKSIAN BAGIAN TUBUH MANUSIA UNTUK FILTER PORNOGRAFI DENGAN METODE VIOLA-JONES
Benny Senjaya
2012-05-01
application. First, several parts of the human body are chosen to be detected as the data training using the Viola-Jones method. Then, another set of images (similar body parts but different images are run through the application to be recognized. The result shows 86.25% of successful detection. The failures are identified and show that the inputted data are completely different with the data training.
Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids
Coslovich, D.; Roland, C. M.
2008-01-01
We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100, 015701 (2008)], the fluctuations in the two quantities are found to be strongly correlated, exhibiting a proportionality constant, Gamma, numerically equal to one-third the slope of an inverse power law approximation to the intermolecular potential function. T...
DOF phase separation of the Lennard-Jones fcc(111) surface
Jayanthi, C. S.; Celestini, Franck; Ercolessi, Furio; Tosatti, Erio
1999-01-01
Recent lattice model calculations have suggested that a full-layered crystal surface may undergo, under canonical (particle-conserving) conditions, a preroughening-driven two-dimensional phase separation into two disordered flat (DOF) regions, of opposite order parameter. We have carried out extensive classical molecular dynamics (MD) simulations of the Lennard-Jones fcc(111) surface, to check whether these predictions are relevant or not for a realistic continuous system. Very long simulatio...
Dynamics of an assembly of finite-size Lennard-Jones spheres
The time-averaged Fourier spectra of the number density, velocity, and force fields are obtained numerically for an assembly of spherical particles interacting via the Lennard-Jones potential. The magnitude spectra determine the dominant wave numbers, and the phase difference between the Lennard-Jones force and number density spectra determines the nature of the particle dynamics. The latter is used to show that for every wave number k there is a critical frequency ωc(k), such that when ωc(k) the phase difference is π/2 and when ω approx-gt ωc(k) the phase difference is -π/2. The ratio of the frequency and the wave number at which the phase difference changes sign is used to define an effective sound speed for the particle system. The effective sound speed is shown to be a function of the dimensionless wave number, and is locally minimum at the same dimensionless wave numbers for which the static structure factor is minimum. It is also shown that the dynamical response of the particle system for waves with speeds greater than the effective sound speed is similar to the response of the hyperbolic systems of equations, and for waves with speeds smaller than the effective sound speed the response is similar to the response of the elliptic systems. The convection effects are shown to be of the same order of magnitude as the Lennard-Jones forces, and the change of type of the equations from hyperbolic to elliptic occurs when the magnitude of the convection term is comparable to the magnitude of the Lennard-Jones force term. It is also shown that the change of type cannot occur in a theory where the convection term is neglected. copyright 1996 The American Physical Society
On the Farrell-Jones Conjecture for Waldhausen's $A$-theory
Enkelmann, Nils-Edvin; Lück, Wolfgang; Pieper, Malte; Ullmann, Mark; Winges, Christoph
2016-01-01
We prove the Farrell-Jones Conjecture for (non-connective) $A$-theory with coefficients and finite wreath products for hyperbolic groups, CAT(0)-groups, cocompact lattices in almost connected Lie groups and fundamental groups of manifolds of dimension less or equal to three. Moreover, we prove inheritance properties such as passing to subgroups, colimits of direct systems of groups, finite direct products and finite free products. These results hold also for Whitehead spectra and spectra of s...
Towards identifying the world stock market cross-correlations: DAX versus Dow Jones
S. Drozdz; Gruemmer, F.; Ruf, F.; Speth, J.(Institut für Kernphysik, Forschungszentrum Jülich, Jülich, D-52425, Germany)
2000-01-01
Effects connected with the world globalization affect also the financial markets. On a way towards quantifying the related characteristics we study the financial empirical correlation matrix of the 60 companies which both the Deutsche Aktienindex (DAX) and the Dow Jones (DJ) industrial average comprised during the years 1990-1999. The time-dependence of the underlying cross-correlations is monitored using a time window of 60 trading days. Our study shows that if the time-zone delays are prope...
The Dow Jones Industrial Average: Issues of Downward Bias and Increased Volatility
Mueller, Paul A.; Raj A. Padmaraj; Ralph C. St. John
1999-01-01
Does the method of divisor adjustment used for stock splits in the Dow Jones Industrial Average (DJIA) cause a downward bias in the averageÕs level and does this method of adjustment cause increased volatility in the average? To investigate these issues, two averages are created using DJIA stocks. One average is adjusted for stock splits through adjustment in the divisor. This method is identical to the DJIA method of adjustment. The other average makes adjustment for stock splits by adjustin...
A tritium labelling method involving differential tritium exchange at the C-2 H position of histidines and 1H NMR of differentially deuterated proteins can be a general method for the assignment of the histidine NMR peaks. In the present report this method is modified by replacing the tritium with deuterium, which eliminates ambiguities arising from the tritium isotope effect. In the deuterium labelling method, differentially deuterated proteins are cleaved by trypsin into smaller peptides each containing a single histidine residue, which are separated by chromatography. The method was applied to the Bence Hones dimer Ak which contains two histidine residues in the constant domain of each of the light chains. The decay of the NMR peaks with time allowed the assignment of one peak to His189 and the other to His198
Metastability, spectrum, and eigencurrents of the Lennard-Jones-38 network
We develop computational tools for spectral analysis of stochastic networks representing energy landscapes of atomic and molecular clusters. Physical meaning and some properties of eigenvalues, left and right eigenvectors, and eigencurrents are discussed. We propose an approach to compute a collection of eigenpairs and corresponding eigencurrents describing the most important relaxation processes taking place in the system on its way to the equilibrium. It is suitable for large and complex stochastic networks where pairwise transition rates, given by the Arrhenius law, vary by orders of magnitude. The proposed methodology is applied to the network representing the Lennard-Jones-38 cluster created by Wales's group. Its energy landscape has a double funnel structure with a deep and narrow face-centered cubic funnel and a shallower and wider icosahedral funnel. However, the complete spectrum of the generator matrix of the Lennard-Jones-38 network has no appreciable spectral gap separating the eigenvalue corresponding to the escape from the icosahedral funnel. We provide a detailed description of the escape process from the icosahedral funnel using the eigencurrent and demonstrate a superexponential growth of the corresponding eigenvalue. The proposed spectral approach is compared to the methodology of the Transition Path Theory. Finally, we discuss whether the Lennard-Jones-38 cluster is metastable from the points of view of a mathematician and a chemical physicist, and make a connection with experimental works
Metastability, spectrum, and eigencurrents of the Lennard-Jones-38 network
Cameron, Maria K., E-mail: cameron@math.umd.edu [Department of Mathematics, University of Maryland, College Park, Maryland 20742-4015 (United States)
2014-11-14
We develop computational tools for spectral analysis of stochastic networks representing energy landscapes of atomic and molecular clusters. Physical meaning and some properties of eigenvalues, left and right eigenvectors, and eigencurrents are discussed. We propose an approach to compute a collection of eigenpairs and corresponding eigencurrents describing the most important relaxation processes taking place in the system on its way to the equilibrium. It is suitable for large and complex stochastic networks where pairwise transition rates, given by the Arrhenius law, vary by orders of magnitude. The proposed methodology is applied to the network representing the Lennard-Jones-38 cluster created by Wales's group. Its energy landscape has a double funnel structure with a deep and narrow face-centered cubic funnel and a shallower and wider icosahedral funnel. However, the complete spectrum of the generator matrix of the Lennard-Jones-38 network has no appreciable spectral gap separating the eigenvalue corresponding to the escape from the icosahedral funnel. We provide a detailed description of the escape process from the icosahedral funnel using the eigencurrent and demonstrate a superexponential growth of the corresponding eigenvalue. The proposed spectral approach is compared to the methodology of the Transition Path Theory. Finally, we discuss whether the Lennard-Jones-38 cluster is metastable from the points of view of a mathematician and a chemical physicist, and make a connection with experimental works.
Metastability, spectrum, and eigencurrents of the Lennard-Jones-38 network.
Cameron, Maria K
2014-11-14
We develop computational tools for spectral analysis of stochastic networks representing energy landscapes of atomic and molecular clusters. Physical meaning and some properties of eigenvalues, left and right eigenvectors, and eigencurrents are discussed. We propose an approach to compute a collection of eigenpairs and corresponding eigencurrents describing the most important relaxation processes taking place in the system on its way to the equilibrium. It is suitable for large and complex stochastic networks where pairwise transition rates, given by the Arrhenius law, vary by orders of magnitude. The proposed methodology is applied to the network representing the Lennard-Jones-38 cluster created by Wales's group. Its energy landscape has a double funnel structure with a deep and narrow face-centered cubic funnel and a shallower and wider icosahedral funnel. However, the complete spectrum of the generator matrix of the Lennard-Jones-38 network has no appreciable spectral gap separating the eigenvalue corresponding to the escape from the icosahedral funnel. We provide a detailed description of the escape process from the icosahedral funnel using the eigencurrent and demonstrate a superexponential growth of the corresponding eigenvalue. The proposed spectral approach is compared to the methodology of the Transition Path Theory. Finally, we discuss whether the Lennard-Jones-38 cluster is metastable from the points of view of a mathematician and a chemical physicist, and make a connection with experimental works. PMID:25399138
Jones, Simon
2005-01-01
Pärnus telekommunikatsiooni- ja infofoorumil viibiv innovatsiooniekspert vastab küsimustele, mis puudutavad tema hinnangut Eesti teadus- ja arendustegevusele, tehnoloogia kasutamist sotsiaalprobleemide lahendamisel ning Eesti varustamist tasuta internetiühendusega. Lisa: Simon Jones
Amir Saadaoui; Younes Boujelbene
2015-01-01
In the course of the recent global crisis, the stock shocks are distributed and transmitted from their homes in the developed stock market to emerging stock markets. By supporting the development of emerging stock markets, this study aims to see the transmission of volatility between the Dow Jones stock index and the Dow Jones emerging Islamic stock indiex. In this study we have divided the period into three, periods, before, during and after this crisis to demonstrate the resilience of the I...
Evaluation of the American Heart Association 2015 revised Jones criteria versus existing guidelines
Kumar, Dinesh; Bhutia, Euden; Kumar, Pradeep; Shankar, Binoy; Juneja, Atul; Chandelia, Sudha
2016-01-01
Objectives To compare the diagnostic yield of acute rheumatic fever (ARF) by the American Heart Association/ American College of Cardiology (AHA/ACC) 2015 revised Jones criteria with the WHO 2004 and Australian guidelines 2012. Methods Retrospective observational study in 93 cases of suspected ARF admitted to the Division of Paediatric Cardiology between January 2012 and December 2014. WHO 2004, Australian guidelines and AHA/ACC 2015 Jones criteria were applied to assess definite and probable ARF. Results Of the 93 cases, 50 were diagnosed as the first episode of ARF and 43 as a recurrence of the condition. Subclinical carditis was a predominant presentation (38%) in the first episode group (p<0.01) whereas in the recurrence group carditis (88%) was the main presentation (p<0.01). Among the joint manifestations, the majority of patients in both the first episode group and the recurrence group presented with arthralgia. Of all the patients with suspected ARF (50), 34% of cases did not fulfil the standard Jones criteria 2004; however, 86% qualified as having ARF on applying the Australian and AHA/ACC 2015 criteria. Surprisingly in the recurrence group only 67% of the patients fulfilled AHA/ACC 2015 despite the modifications incorporated beyond WHO 2004; however, all the patients fulfilled the Australian guidelines either as definite (88.4%) or probable (11.6%). Inclusion of subclinical carditis, polyarthralgia and monoarthritis as major criteria influenced the diagnosis to definite ARF in 20%, 10% and 4% of patients, respectively. Conclusions The clinical manifestations of ARF, comprising subclinical carditis and arthralgia, are possibly milder in the Indian population; hence, inclusion of subclinical carditis, polyarthralgia and monoarthritis as major criteria in the newer guidelines has improved the diagnostic yield of ARF. In the absence of a gold standard for the diagnosis of ARF, it is not possible to comment on sensitivity and specificity. PMID:27326228
Formation of global energy minimim structures in the growth process of Lennard-Jones clusters
Solov'yov, Ilia; Koshelev, Andrey; Shutovich, Andrey; Solov'yov, Andrey V.; Greiner, Walter
2003-01-01
We present a new theoretical framework for modelling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing paths up to the cluster sizes of 150 atoms. We demonstrate...... that in this way all known global minimum structures of the Lennard-Jones (LJ) clusters can be found. Our method provides an efficient tool for the calculation and analysis of atomic cluster structure. With its use we justify the magic numbers sequence for the clusters of noble gases atoms and compare...
Exact numerical solution of the Schroedinger equation with the Lennard--Jones potential
The series solution of a differential equation in an immediate neighborhood of an irregular singularity has a finite convergence radius. For the Lennard-Jones potential, devised as a model for Li+-He scattering, the convergence radius is so small that the repulsive potential is still extremely strong at a point near the convergence limit. Consequently, any standard numerical method cannot start from such a point. In the domain intermediate between the convergence limit of the series and the starting point of a standard numerical integration, the solution involves a part that varies rapidly. A special numerical method has been developed to deal with the solution in this domain
The potential energy landscape in the Lennard-Jones binary mixture model
The potential energy landscape in the Kob-Andersen Lennard-Jones binary mixture model has been studied carefully from the liquid down to the supercooled regime, from T = 2 down to 0.46. One thousand independent configurations along the time evolution locus have been examined at each temperature investigated. From the starting configuration, we searched for the nearest saddle (or quasi-saddle) and minimum of the potential energy. The vibrational densities of states for the starting and the two derived configurations have been evaluated. Besides the number of negative eigenvalues of the saddles other quantities show some signature of the approach of the dynamical arrest temperature
Fairy tales? Marion Jones, C.J. Hunter and the framing of doping in American newspapers
Pfister, Gertrud Ursula; Gems, Gerald
2015-01-01
convicted of doping. The material consists of sport reports about the 2000 Olympic Games in three American newspapers. These Games proved controversial due to the allegations and inquiries of the media (both national and international) regarding doping issues and the prominence of the American athletes...... under suspicion. At the same time, the 2000 Olympics can be considered a watershed in American anti-doping policy. The media portrayed Jones and Hunter as the Beauty and the Beast or Svengali and his victim, using a famous fairy tale and a well-known novel to capture attention, label the protagonists...
Numerical simulation of pool boiling of a Lennard-Jones liquid
Inaoka, Hajime
2013-09-01
We performed a numerical simulation of pool boiling by a molecular dynamics model. In the simulation, a liquid composed of Lennard-Jones particles in a uniform gravitational field is heated by a heat source at the bottom of the system. The model successfully reproduces the change in regimes of boiling from nucleate boiling to film boiling with the increase of the heat source temperature. We present the pool boiling curve by the model, whose general behavior is consistent with those observed in experiments of pool boiling. © 2013 Elsevier B.V. All rights reserved.
Kinetic non-optimality and vibrational stability of proteins
Cieplak, Marek; Hoang, Trinh Xuan
2001-01-01
Scaling of folding times in Go models of proteins and of decoy structures with the Lennard-Jones potentials in the native contacts reveal %robust power law trends when studied under optimal folding conditions. The power law exponent depends on the type of native geometry. Its value indicates lack of kinetic optimality in the model proteins. In proteins, mechanical and thermodynamic stabilities are correlated.
Rogers, Mike
2012-01-01
Jones graduated in 2010 from the Executive Leadership Program, Center for Homeland Defense and Security at the Naval Postgraduate School. Mr. ROGERS of Alabama. Mr. Speaker, I ask for the House’s attention today to honor Christopher T. Jones as he retires from the Center for Domestic Preparedness (CDP) in Anniston, Alabama. Dr. Jones joined the U.S. Department of Homeland Security’s Federal Emergency Management Agency (FEMA) as Superintendent for the CDP on August 3, 2008.
The potential energy landscape for crystallisation of a Lennard-Jones fluid
de Souza, Vanessa K.; Wales, David J.
2016-07-01
Crystallisation pathways are explored by direct analysis of the potential energy landscape for a system of Lennard-Jones particles with periodic boundary conditions. A database of minima and transition states linking liquid and crystalline states is constructed using discrete path sampling and the entire potential energy landscape from liquid to crystal is visualised. We demonstrate that there is a strong negative correlation between the number of atoms in the largest crystalline cluster and the potential energy. In common with previous results we find a strong bias towards the growth of FCC rather than HCP clusters, despite a very small potential energy difference. We characterise three types of perfect crystals with very similar energies: pure FCC, pure HCP, and combinations of FCC and HCP layers. There are also many slightly defective crystalline structures. The effect of the simulation box is analysed for a supercell containing 864 atoms. There are low barriers between some of the different crystalline structures via pathways involving sliding layers, and many different defective structures with FCC layers stacked at an angle to the periodic box. Finally, we compare a binary Lennard-Jones system and visualise the potential energy landscape from supercooled liquid to crystal.
Barbante, Paolo [Dipartimento di Matematica, Politecnico di Milano - Piazza Leonardo da Vinci 32 - 20133 Milano (Italy); Frezzotti, Aldo; Gibelli, Livio [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano - Via La Masa 34 - 20156 Milano (Italy)
2014-12-09
The unsteady evaporation of a thin planar liquid film is studied by molecular dynamics simulations of Lennard-Jones fluid. The obtained results are compared with the predictions of a diffuse interface model in which capillary Korteweg contributions are added to hydrodynamic equations, in order to obtain a unified description of the liquid bulk, liquid-vapor interface and vapor region. Particular care has been taken in constructing a diffuse interface model matching the thermodynamic and transport properties of the Lennard-Jones fluid. The comparison of diffuse interface model and molecular dynamics results shows that, although good agreement is obtained in equilibrium conditions, remarkable deviations of diffuse interface model predictions from the reference molecular dynamics results are observed in the simulation of liquid film evaporation. It is also observed that molecular dynamics results are in good agreement with preliminary results obtained from a composite model which describes the liquid film by a standard hydrodynamic model and the vapor by the Boltzmann equation. The two mathematical model models are connected by kinetic boundary conditions assuming unit evaporation coefficient.
Bagavad Gita
2014-01-01
Full Text Available Gingival fibromatosis is characterized by gingival tissue overgrowth of a firm and fibrotic nature. The growth is slow and progressive and is drug-induced, idiopathic, or hereditary in etiology. It occurs isolated or frequently as a component of various syndromes. Our patient presented with the complaint of gingival enlargement associated with progressive deafness, characteristic of Jones syndrome. This case report is important and unique since it is the first known one to have a Jones syndrome-like presentation without a family history. A male patient aged 14 years reported with the chief complaint of swelling of gums and progressive hearing loss in both ears for the past one year. There was no family history or history of drug intake. Enlargement was generalized, fibrotic and bulbous, involving the free and attached gingiva, extending up to the middle 1/3 rd of the crown. Investigations such as pure tone audiogram, impedance audiometry, and Tone decay test concluded that there was severe right and moderate left sensorineural hearing loss. The case was diagnosed to be idiopathic, generalized gingival fibromatosis with progressive hearing loss. The gingival overgrowth was managed by gingivectomy and periodic review. The patient was advised to use high occlusion computer generated hearing aids for his deafness as it was not treatable by medicines or surgery. This unique case report once again emphasizes the heterogeneity of gingival fibromatosis, which can present in an atypical manner.
Sugiyama, Satoshi; Hong, Young-Joo; Kasaragod, Deepa; Makita, Shuichi; Uematsu, Sato; Ikuno, Yasushi; Miura, Masahiro; Yasuno, Yoshiaki
2015-12-01
A clinical grade prototype of posterior multifunctional Jones matrix optical coherence tomography (JM-OCT) is presented. This JM-OCT visualized depth-localized birefringence in addition to conventional cumulative phase retardation imaging through local Jones matrix analysis. In addition, it simultaneously provides a sensitivity enhanced scattering OCT, a quantitative polarization uniformity contrast, and OCT-based angiography. The probe beam is at 1-μm wavelength band. The measurement speed and the depth-resolution were 100,000 A-lines/s, and 6.6 μm in tissue, respectively. Normal and pathologic eyes are examined and several clinical features are revealed, which includes high birefringence in the choroid and lamina cribrosa, and birefringent layered structure of the sclera. The theoretical details of the depth-localized birefringence imaging and conventional phase retardation imaging are formulated. This formulation indicates that the birefringence imaging correctly measures a depth-localized single-trip phase retardation of a tissue, while the conventional phase retardation can provide correct single-trip phase retardation only for some specific types of samples. PMID:26713208
The fish and fisheries of Jones Bank and the wider Celtic Sea
Martinez, I.; Ellis, J. R.; Scott, B.; Tidd, A.
2013-10-01
The Celtic Sea is a diverse fishing ground that supports important commercial fisheries for a range of demersal fish, large and small-bodied pelagic fish and a variety of cephalopods and other shellfish. A regional overview of the main commercial fish stocks of the Celtic Sea and of the fish that occur in the vicinity of Jones Bank are provided through analyses of landings data from English and Welsh vessels, and from scientific trawl surveys. Dedicated smaller scale sampling via trawl surveys combined with baited cameras on and around the Jones Bank were also analysed to investigate the importance of sandbank habitats with attention paid to the differences in the species occurring on the top of the bank in comparison to adjacent off-bank habitats. Official landing statistics for UK (English and Welsh) vessels indicated that the predominant commercial demersal species in ICES Divisions VIIg,h (in terms of quantities landed) were anglerfish, megrim, pollack and skates (Rajidae). There were, however, regional differences in the distribution of fish and fisheries, and the area surrounding Jones Bank (ICES Rectangles 28E1 and 28E2) supports fisheries for megrim, anglerfish, skates, hake, ling and turbot, with otter trawl, gillnet and beam trawl the main gears used. Recent survey data collected with GOV (Grande Ouverture Verticale) trawl from the Celtic Sea (ICES Divisions VIIe-h, 2007-2010) were used to highlight the broad scale distribution of the main fish assemblages in the Celtic Sea. Analyses of the fish and cephalopod catches from these surveys indicated that there were four broad assemblages in the area, including (i) a region around the Cornwall (which will also be partly influenced by the necessity to use rockhopper ground gear on these rough grounds), (ii) the shallower regions of the north-western Celtic Sea (including parts of the Bristol Channel), (iii) the deeper parts of the outer shelf and (iv) the central Celtic Sea. These data also provided
A. Trokhymchuk
2011-09-01
Full Text Available Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances for the positioning of hard core have been explored. We have found, that for temperatures that are slightly lower and slightly higher of the critical point temperature for the Lennard-Jones fluid, placing the hard core at distances that are shorter than zero-potential energy is well justified by thermodynamic properties that are practically the same as in original LJ2Y model without hard core. However, going to extreme conditions with the high temperature one should be careful since presence of the hard core provokes changes in the properties of the system. The later is extremely important when the mean spherical approximation (MSA theory is applied to treat the Lennard-Jones-like fluid.
Li, Ping; Dong, Yunhong; Zhao, Nanrong; Hou, Zhonghuai
2014-04-01
Distance fluctuation of a single molecule, modeled as an idealized bead-spring chain, dissolved in a Lennard-Jones liquid is studied by using a multidimensional generalized Langevin equation, where the friction kernel ζ(t) is calculated from the kinetic mode coupling theory (MCT). Temporal behavior of the distance autocorrelation function shows three typical regimes of time dependence, starting with a constant, followed by a power law of t-α, and finally an exponential decay. Particular attentions are paid to the time span of the power law regime, which corresponds to anomalous subdiffusion behavior, and the MCT framework enables us to investigate thoroughly how this regime depends on microscopic details such as the bead-to-solvent mass ratio MR, chain spring frequency ω, and the chain length N. Interestingly, the exponent α is robust to be 1/2 against the change of these parameters, although the friction kernel ζ(t) shows nontrivial dependence on time. In addition, we find that the starting time of the power-law region t1 scales with Γ-1, with Γ = 4ω2/ζ0 where ζ0 is the zero-frequency friction which decreases rapidly with increasing bead mass. On the other hand, the ending time t2 is not sensitive to varying ω or ζ0, but it increases with N rapidly before it reaches a constant for N larger than some threshold value. Our work may provide a unified strategy starting from the microscopic level to understand the anomalous subdiffusive behavior regarding large scale conformational change of polymers or proteins.
Algumas considerações sobre o termo afânise a partir de E. Jones e J. Lacan
Daniela Scheinkman Chatelard
2001-01-01
Em sua primeira parte, este artigo propõe-se a retomar e a desenvolver o termo afânise, tal como foi forjado por Ernest Jones. Na segunda parte, trata-se de acrescentar a importância dada por Jacques Lacan a este termo: do registro do puro desaparecimento do desejo, em sua relação com a castração, como foi sustentado por E. Jones, passamos ao registro do desaparecimento do sujeito, enquanto sujeito dividido e desejante. Para isso, recorremos ao exemplo do personagem literário, Hamlet, da trag...
Pitt, Mark M
2012-01-01
The paper "High Noon for Microfinance Impact Evaluations" by Duvendack and Palmer-Jones replicates the papers of Chemin (2008) and Pitt and Khandker (1998) that estimate the impact of microfinance in Bangladesh. My paper replicates the Duvendack and Palmer-Jones replication and finds so many serious errors in their code and misrepresentations of the methods described in their paper that I conclude that their results are spurious and provide no evidence about the validity of either the papers of Chemin or Pitt and Khandker or on the effectiveness of microfinance. PMID:24833807
Re-sounding Radicalism: Echo in William Blake and the Chartist Poets Ernest Jones and Gerald Massey
Mccawley, Nichola Lee
2012-01-01
This thesis argues that William Blake’s poetry creates meaning through internal poetic echoes, and that these Blakean echoes re-sound in Ernest Jones and Gerald Massey’s Poetry. There is no demonstrable link between Blake and Chartism; this raises the question of how to account for poetic echoes that occur in the absence of a direct link. The thesis uses two complementary methodological strategies. The significance of the Blakean echoes in Jones and Massey’s work will be demonstrated through ...
Wiegand, Wayne A.
1983-01-01
Recounts events that led to the firing of Mary L. Jones, Director of Los Angeles Public Library (1905) and caught in public crossfire such figures as the mayor, city council, library board of directors, Charles Lummis (Jones's replacement), Susan B. Anthony, Anna Shaw, Herbert Putnam, and Melvil Dewey. (29 references) (EJS)
Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites
FU Dong; LIAO Tao
2007-01-01
The excess Helmholtz free energy functional for associating Lennard-Jones (LJ) fluid is formulated in terms of a weighted density approximation for short-ranged interactions and a Weeks Chandler-Andersen approximation for long-range attraction. Within the framework of density functional theory, phase equilibria, vapour-liquid surface tension and vapour-liquid nucleation properties including the density profile, work of formation, excess number of particles and critical supersaturation are investigated for associating LJ fluids with different numbers of association sites (M=1,2,3,4) per particle. The influences of association energy and association sites on phase equilibria, surface tension and vapour-liquid nucleation properties are discussed.
Baidakov, Vladimir G; Bobrov, Konstantin S; Teterin, Aleksey S
2011-08-01
Molecular dynamics simulations have been used to investigate the kinetics of spontaneous cavitation and crystallization in a Lennard-Jones liquid at negative pressures in the temperature range where these processes compete with each other. The nucleation rate has been calculated in NVE and NpT ensembles by the method of mean lifetime and the transition interface sampling method with parallel path swapping. The data obtained have been used to determine in the framework of classical nucleation theory the value of the ratio of the solid-liquid and the liquid-void interfacial free energy for critical crystals and cavities and the values of their volumes at points where the cavitation rate of the liquid is equal to the rate of its crystallization. PMID:21823717
Blueschist metamorphism in the Yreka-Fort Jones area, Klamath Mountains, California
Hotz, Preston E.
1973-01-01
Blueschist is plentiful in the Yreka-Fort Jones area, eastern Klamath Mountains, adjacent to a belt of serpentinite that marks the boundary between two fundamental lithologic units, an eastern belt of early Paleozoic sedimentary and metamorphic rocks, and a western greenstone-chert assemblage of late Paleozoic and Triassic(?) age. The blueschists, which contain lawsonite and glaucophane or crossite, occur with phyllitic quartzite and siliceous phyllite of the Stuart Fork Formation, which is overthrust northwestward on the greenstone-chert terrane. The blueschist facies metamorphism probably was synchronous with Middle and Late Jurassic metamorphism of the Stuart Fork Formation. The blueschist-serpentinite terrane possibly marks the site of collision between the eastern Klamath plate and an oceanic western Paleozoic and Triassic plate.
A Jones matrix formalism for simulating 3D Polarised Light Imaging of brain tissue
Menzel, Miriam; De Raedt, Hans; Reckfort, Julia; Amunts, Katrin; Axer, Markus
2015-01-01
The neuroimaging technique 3D Polarised Light Imaging (3D-PLI) provides a high-resolution reconstruction of nerve fibres in human post-mortem brains. The orientations of the fibres are derived from birefringence measurements of histological brain sections assuming that the nerve fibres - consisting of an axon and a surrounding myelin sheath - are uniaxial birefringent and that the measured optic axis is oriented in direction of the nerve fibres (macroscopic model). Although experimental studies support this assumption, the molecular structure of the myelin sheath suggests that the birefringence of a nerve fibre can be described more precisely by multiple optic axes oriented radially around the fibre axis (microscopic model). In this paper, we compare the use of the macroscopic and the microscopic model for simulating 3D-PLI by means of the Jones matrix formalism. The simulations show that the macroscopic model ensures a reliable estimation of the fibre orientations as long as the polarimeter does not resolve ...
Translation and cultural adaptation of the Jones Dependency Tool to Brazilian Portuguese
Karen Marchesan de Andrade
2014-12-01
Full Text Available Methodological study to translate and culturally adapt the Jones Dependency Tool (JDT to Portuguese. The translation and cultural adaptation method had four stages. First stage: translation of the original instrument from English to Portuguese. Second stage: content, cultural, semantic and conceptual equivalence in relation to the original instrument. Third stage: back-translation. Fourth stage: comparison of the translated and back-translated versions by a committee of specialists, resulting in the final version. In the Communication Domain, the original JDT measured pain using high, intermediate and low ranges, but the committee suggested replacing it with a visual analog scale. The translation and cultural adaptation of the JDT to Portuguese produced an instrument applicable to our reality. Studies need to be conducted to test the validity and reliability of the JDT in Brazilian Emergency Services. doi: 10.5216/ree.v16i4.22345.
Myyntityön ja myynnin johtamisen kehittäminen, case Jack & Jones
Virranta, Heidi
2014-01-01
Tiivistelmä Myyntityö on entistä haastavampi ammatti. Pärjätäkseen kilpailussa yritys tarvitsee osaavan ja motivoituneen henkilöstön, joka haluaa aktiivisesti toimia myyntitavoitteiden saavuttamiseksi. Henkilöstön tueksi yritys tarvitsee osaavia esimiehiä, jotka myynnin johtamisen avulla saavat työntekijät tekemään parhaansa ja enemmän. Tässä opinnäytetyössä tutkittiin myyntityöhön vaikuttavia tekijöitä Kekäle Oy:n Jack & Jones-myymälöissä. Tutkimuksessa selvitettiin niin työntekijän...
Phase diagram and universality of the Lennard-Jones gas-liquid system
Watanabe, Hiroshi
2012-01-01
The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class. © 2012 American Institute of Physics.
Modelling of disjoining pressure for Lennard-Jones free thin films
Peng, Tiefeng; Gao, Xuechao; Li, Qibin; Yang, Siyuan; Tang, Qizhong
2016-03-01
Development of disjoining pressure was performed to study the symmetric, Lennard-Jones (LJ) free thin films using molecular modelling. A methodology rooted from film thermodynamics was established to derive the disjoining pressure isotherm (Π ‑ h), which is based on the surface tension at varied film thicknesses and can be viewed as a post-processing technique. The results showed that the disjoining pressure of LJ fluid is purely attractive. Compared with the complicated method reported previously, this methodology is demonstrated to be more convenient and readily applicable for other liquid films (e.g. water, aqueous thin films containing electrolyte or surfactants), meanwhile it can be applied at both low and high temperatures.
Chemical diversity in the essential oil of Indian valerian (Valeriana jatamansi Jones).
Verma, Ram S; Verma, Rajesh K; Padalia, Rajendra C; Chauhan, Amit; Singh, Anand; Singh, Hemendra P
2011-10-01
To explore the diversity in the essential oil yield and composition of Valeriana jatamansi Jones (syn. V. wallichii DC) growing wild in Uttarakhand (Western Himalaya), 17 populations were collected from different locations and grown under similar conditions. Comparative results showed considerable variations in the essential oil yield and composition. The essential oil yield varied from 0.21 to 0.46% in the fresh roots and rhizomes of different populations of V. jatamansi. Analysis of the essential oils by GC (RI) and GC/MS and the subsequent classification by principal component analysis (PCA) resulted in six clusters with significant variations in their terpenoid composition. Major components in the essential oils of the different populations were patchouli alcohol (1; 13.4-66.7%), α-bulnesene (3; perfumery. PMID:22006721
Krejčí, J.; Nezbeda, Ivo; Melnyk, R.; Trokhymchuk, A.
2011-01-01
Roč. 14, č. 3 (2011), Article Number 33005. ISSN 1607-324X R&D Projects: GA AV ČR IAA400720710 Institutional research plan: CEZ:AV0Z40720504 Keywords : two Yukawa potential * Lennard-Jones fluid * mean-spherical approximation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.811, year: 2011
Connell, Mary
2012-01-01
Cross, Fine, Jones, and Walsh (2012) provided a thoughtful review and critique of a book chapter describing the interview process at Child Advocacy Centers. They observed some of the ways that concerns raised in that chapter are being addressed and described revised guidelines that further clarify issues. Ongoing research and examination of the…
From Epic to Novel——A Stylistic Study on the History of Tom Jones a Foundling
李潇雨
2007-01-01
This article takes Henry Fielding's novel Tom Jones as its object to make a textual analysis.It can be easily seen that novel as a literature type just derived from the process of breaking the narrative and aesthetic distance of traditional epic.
Cotterill, Rodney M J; Madsen, J.
1986-01-01
Sections of configuration space for Lennard-Jones matter were obtained by probing all the normal-mode energy profiles, following diagonalization of the dynamical matrix for a 240-particle system. For the crystal and sufficiently cold glass, these are single welled, whereas increasing numbers...
Rodrigues, Clóves G.
2016-06-01
In this work we investigate the interatomic correlation moments in two-dimensional model of a weakly anharmonic crystal (i.e., not very high temperatures) with hexagonal lattice, using the Correlative Method of Unsymmetrized Self-Consistent Field (CUSF). The numerical results are obtained (and compared) by using the Morse and Lenard-Jones potentials.
Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids
Dhabal, Debdas; Chakravarty, Charusita, E-mail: charus@chemistry.iitd.ac.in [Department of Chemistry, Indian Institute of Technology Delhi, New Delhi 110016 (India); Nguyen, Andrew Huy; Molinero, Valeria [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850 (United States); Singh, Murari [Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100 (Israel); Khatua, Prabir; Bandyopadhyay, Sanjoy [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)
2015-10-28
Molecular dynamics simulations are used to contrast the supercooling and crystallization behaviour of monatomic liquids that exemplify the transition from simple to anomalous, tetrahedral liquids. As examples of simple fluids, we use the Lennard-Jones (LJ) liquid and a pair-dominated Stillinger-Weber liquid (SW{sub 16}). As examples of tetrahedral, water-like fluids, we use the Stillinger-Weber model with variable tetrahedrality parameterized for germanium (SW{sub 20}), silicon (SW{sub 21}), and water (SW{sub 23.15} or mW model). The thermodynamic response functions show clear qualitative differences between simple and water-like liquids. For simple liquids, the compressibility and the heat capacity remain small on isobaric cooling. The tetrahedral liquids in contrast show a very sharp rise in these two response functions as the lower limit of liquid-phase stability is reached. While the thermal expansivity decreases with temperature but never crosses zero in simple liquids, in all three tetrahedral liquids at the studied pressure, there is a temperature of maximum density below which thermal expansivity is negative. In contrast to the thermodynamic response functions, the excess entropy on isobaric cooling does not show qualitatively different features for simple and water-like liquids; however, the slope and curvature of the entropy-temperature plots reflect the heat capacity trends. Two trajectory-based computational estimation methods for the entropy and the heat capacity are compared for possible structural insights into supercooling, with the entropy obtained from thermodynamic integration. The two-phase thermodynamic estimator for the excess entropy proves to be fairly accurate in comparison to the excess entropy values obtained by thermodynamic integration, for all five Lennard-Jones and Stillinger-Weber liquids. The entropy estimator based on the multiparticle correlation expansion that accounts for both pair and triplet correlations, denoted by S{sub trip
Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids
Molecular dynamics simulations are used to contrast the supercooling and crystallization behaviour of monatomic liquids that exemplify the transition from simple to anomalous, tetrahedral liquids. As examples of simple fluids, we use the Lennard-Jones (LJ) liquid and a pair-dominated Stillinger-Weber liquid (SW16). As examples of tetrahedral, water-like fluids, we use the Stillinger-Weber model with variable tetrahedrality parameterized for germanium (SW20), silicon (SW21), and water (SW23.15 or mW model). The thermodynamic response functions show clear qualitative differences between simple and water-like liquids. For simple liquids, the compressibility and the heat capacity remain small on isobaric cooling. The tetrahedral liquids in contrast show a very sharp rise in these two response functions as the lower limit of liquid-phase stability is reached. While the thermal expansivity decreases with temperature but never crosses zero in simple liquids, in all three tetrahedral liquids at the studied pressure, there is a temperature of maximum density below which thermal expansivity is negative. In contrast to the thermodynamic response functions, the excess entropy on isobaric cooling does not show qualitatively different features for simple and water-like liquids; however, the slope and curvature of the entropy-temperature plots reflect the heat capacity trends. Two trajectory-based computational estimation methods for the entropy and the heat capacity are compared for possible structural insights into supercooling, with the entropy obtained from thermodynamic integration. The two-phase thermodynamic estimator for the excess entropy proves to be fairly accurate in comparison to the excess entropy values obtained by thermodynamic integration, for all five Lennard-Jones and Stillinger-Weber liquids. The entropy estimator based on the multiparticle correlation expansion that accounts for both pair and triplet correlations, denoted by Strip, is also studied. Strip is a
Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation
Kadoura, Ahmad; Siripatana, Adil; Sun, Shuyu; Knio, Omar; Hoteit, Ibrahim
2016-06-01
In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ɛ, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.
Effect of Energy Polydispersity on the Nature of Lennard-Jones Liquids.
Ingebrigtsen, Trond S; Tanaka, Hajime
2016-08-11
In the companion paper [ Ingebrigtsen , T. S. ; Tanaka , H. J. Phys. Chem. B 2015 , 119 , 11052 ] the effect of size polydispersity on the nature of Lennard-Jones (LJ) liquids, which represent most molecular liquids without hydrogen bonds, was studied. More specifically, it was shown that even highly size polydisperse LJ liquids are Roskilde-simple (RS) liquids. RS liquids are liquids with strong correlation between constant volume equilibrium fluctuations of virial and potential energy and are simpler than other types of liquids. Moreover, it was shown that size polydisperse LJ liquids have isomorphs to a good approximation. Isomorphs are curves in the phase diagram of RS liquids along which structure, dynamics, and some thermodynamic quantities are invariant in dimensionless (reduced) units. In this paper, we study the effect of energy polydispersity on the nature of LJ liquids. We show that energy polydisperse LJ liquids are RS liquids. However, a tendency of particle segregation, which increases with the degree of polydispersity, leads to a loss of strong virial-potential energy correlation but is mitigated by increasing temperature and/or density. Isomorphs are a good approximation also for energy polydisperse LJ liquids, although particle-resolved quantities display a somewhat poorer scaling compared to the mean quantities along the isomorph. PMID:27434103
Zhang, Jiapu
2011-01-01
The simplified Lennard-Jones (LJ) potential minimization problem is minimize f(x)=4\\sum_{i=1}^N \\sum_{j=1,j
A Hybrid Vehicle Detection Method Based on Viola-Jones and HOG + SVM from UAV Images.
Xu, Yongzheng; Yu, Guizhen; Wang, Yunpeng; Wu, Xinkai; Ma, Yalong
2016-01-01
A new hybrid vehicle detection scheme which integrates the Viola-Jones (V-J) and linear SVM classifier with HOG feature (HOG + SVM) methods is proposed for vehicle detection from low-altitude unmanned aerial vehicle (UAV) images. As both V-J and HOG + SVM are sensitive to on-road vehicles' in-plane rotation, the proposed scheme first adopts a roadway orientation adjustment method, which rotates each UAV image to align the roads with the horizontal direction so the original V-J or HOG + SVM method can be directly applied to achieve fast detection and high accuracy. To address the issue of descending detection speed for V-J and HOG + SVM, the proposed scheme further develops an adaptive switching strategy which sophistically integrates V-J and HOG + SVM methods based on their different descending trends of detection speed to improve detection efficiency. A comprehensive evaluation shows that the switching strategy, combined with the road orientation adjustment method, can significantly improve the efficiency and effectiveness of the vehicle detection from UAV images. The results also show that the proposed vehicle detection method is competitive compared with other existing vehicle detection methods. Furthermore, since the proposed vehicle detection method can be performed on videos captured from moving UAV platforms without the need of image registration or additional road database, it has great potentials of field applications. Future research will be focusing on expanding the current method for detecting other transportation modes such as buses, trucks, motors, bicycles, and pedestrians. PMID:27548179
Arising from the inability of theoretical calculations to give accurate descriptions of (shear) viscosity in rare gases at high densities, we investigated the likely cause of discrepancy between theory and experiments. Molecular Dynamics simulations were performed to calculate transport coefficients and collision frequency of rare gases at high densities and different temperatures using a Lennard-Jones modelled pair potential. The results, when compared with experiments show an underestimation of the viscosity calculated through the Green-Kubo formalism, but in agreement with some other calculations performed by other groups. In the present work the origin of the underestimation is considered. Analyses of the transport coefficients show a very high collision frequency which suggests an atom may spend much less time in the neighbourhood of the fields of force of another atom and that the distribution in the systems studied adjusts itself to a nearly Maxwellian type which resulted in a locally and temporarily slowly varying temperature. We show that the time spent in the fields of force is so small compared with relaxation time thereby leading to a possible reduction in local velocity auto-correlation between atoms. (author)
Factorizations for 3-rotations and polarization of the light in Mueller-Stokes an Jones formalisms
Red'kov, V M
2008-01-01
Formulas describing all 2-element and 3-element factorizations of arbitrary element of the groups SU(2) and SO(3,R) are derived. Six 2-element factorizations, $ (U_{2}U_{3}U'_{2}), (U_{3}U_{2}U'_{3}), (U_{3}U_{1}U'_{3}), (U_{1}U_{3}U'_{1}), (U_{1}U_{2}U'_{1}), (U_{2}U_{1}U'_{2})$, provide all possible way to define Euler type angles; and six 3-element ones, $ (U_{1}U_{2}U_{3}), (U_{1}U_{3}U'_{2}), (U_{2}U_{3}U_{1}), (U_{2}U_{1}U_{3}), (U_{3}U_{1}U_{2}), (U_{3}U_{2}U_{1})$ provide all possible ways to parameterize the unitary and orthogonal groups by three elementary angles. In thecontext the light polarization formalism of Stokes-Mueller vectors and Jones spinors, relations produced give a base to resolve arbitrary pure polarization rotators into all possible sets of elementary rotators of two or three constituents.
Function after correction of a clawed great toe by a modified Robert Jones transfer.
Breusch, S J; Wenz, W; Döderlein, L
2000-03-01
We carried out a cross-sectional study in 51 patients (81 feet) with a clawed hallux in association with a cavus foot after a modified Robert Jones tendon transfer. The mean follow-up was 42 months (9 to 88). In all feet, concomitant procedures had been undertaken, such as extension osteotomy of the first metatarsal and transfer of the tendon of the peroneus longus to peroneus brevis, to correct the underlying foot deformity. All patients were evaluated clinically and radiologically. The overall rate of patient satisfaction was 86%. The deformity of the hallux was corrected in 80 feet. Catching of the big toe when walking barefoot, transfer lesions and metatarsalgia, hallux flexus, hallux limitus and asymptomatic nonunion of the interphalangeal joint were the most frequent complications. Hallux limitus was more likely when elevation of the first ray occurred (p = 0.012). Additional transfer of the tendon of peroneus longus to peroneus brevis was a significant risk factor for elevation of the first metatarsal (p hallux. PMID:10755436
Nucleation of liquid droplets and voids in a stretched Lennard-Jones fcc crystal
Baidakov, Vladimir G., E-mail: baidakov@itp.uran.ru; Tipeev, Azat O. [Institute of Thermophysics, Ural Branch of the Russian Academy of Sciences, Amundsen Street 107a, 620016 Ekaterinburg (Russian Federation)
2015-09-28
The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal–liquid phase equilibrium when the melting line comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one.
Enhancement of the droplet nucleation in a dense supersaturated Lennard-Jones vapor
Zhukhovitskii, D. I.
2016-05-01
The vapor-liquid nucleation in a dense Lennard-Jones system is studied analytically and numerically. A solution of the nucleation kinetic equations, which includes the elementary processes of condensation/evaporation involving the lightest clusters, is obtained, and the nucleation rate is calculated. Based on the equation of state for the cluster vapor, the pre-exponential factor is obtained. The latter diverges as a spinodal is reached, which results in the nucleation enhancement. The work of critical cluster formation is calculated using the previously developed two-parameter model (TPM) of small clusters. A simple expression for the nucleation rate is deduced and it is shown that the work of cluster formation is reduced for a dense vapor. This results in the nucleation enhancement as well. To verify the TPM, a simulation is performed that mimics a steady-state nucleation experiments in the thermal diffusion cloud chamber. The nucleating vapor with and without a carrier gas is simulated using two different thermostats for the monomers and clusters. The TPM proves to match the simulation results of this work and of other studies.
Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation
Kadoura, Ahmad
2016-06-01
In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.
A test of the mean density approximation for Lennard-Jones mixtures with large size ratios
The mean density approximation for mixture radial distribution functions plays a central role in modern corresponding-states theories. This approximation is reasonably accurate for systems that do not differ widely in size and energy ratios and which are nearly equimolar. As the size ratio increases, however, or if one approaches an infinite dilution of one of the components, the approximation becomes progressively worse, especially for the small molecule pair. In an attempt to better understand and improve this approximation, isothermal molecular dynamics simulations have been performed on a series of Lennard-Jones mixtures. Thermodynamic properties, including the mixture radial distribution functions, have been obtained at seven compositions ranging from 5 to 95 mol%. In all cases the size ratio was fixed at two and three energy ratios were investigated, 22/ 11 =0.5, 1.0, and 1.5. The results of the simulations are compared with the mean density approximation and a modification to integrals evaluated with the mean density approximation is proposed
Selected hydrogeologic and water-quality data from Jones Beach Island, Long Island, New York
Scorca, M.P.; Reilly, T.E.; Franke, O.L.
1995-01-01
A data-collection site was instrumented on Jones Beach Island, a barrier island south of Long Island, N.Y., to study local freshwater/ saltwater relations in the shallow ground-water system. A geologic test boring revealed about 88 feet of well-sorted glacial outwash sand above about 15 feet of Gardiners Clay, which directly overlies silty sand of the Magothy Formation. Tidal effects on water levels in Great South Bay, the upper glacial aquifer, and the Magothy aquifer were observed and quantified with a tidal gage in the bay and analog water-level recorders in the wells.Chloride concentrations in the upper Magothy aquifer were higher than expected--about 270 mg/L (milligrams per liter), and those in the upper glacial aquifer were 17,000 to 19,000 mg/L, about the same as in Great South Bay. Estimates of pressure and freshwater equivalent heads indicate that, at the data-collection site, freshwater is discharging upward from the Magothy aquifer into the salty upper glacial aquifer, but dilution by this freshwater is undetectable. The reason for the elevated chloride concentration in the Magothy aquifer cannot be determined from available hydrogeologic information.
Theory of slope-dependent disjoining pressure with application to Lennard-Jones liquid films.
Yi, Taeil; Wong, Harris
2007-09-15
A liquid film of thickness hfilm thicknesses, it determines the stability and wettability of thin films. Current theory derived for uniform films gives Pi=Pi(h). This solution has been applied recently to non-uniform films and becomes unbounded near a contact line as h-->0. Consequently, many different effects have been considered to eliminate or circumvent this singularity. We present a mean-field theory of Pi that depends on the slope h(x) as well as the height h of the film. When this theory is implemented for Lennard-Jones liquid films, the new Pi=Pi(h,h(x)) is bounded near a contact line as h-->0. Thus, the singularity in Pi(h) is artificial because it results from extending a theory beyond its range of validity. We also show that the new Pi can capture all three regimes of drop behavior (complete wetting, partial wetting, and pseudo-partial wetting) without altering the signs of the long and short-range interactions. We find that a drop with a precursor film is linearly stable. PMID:17570389
Spray flow-network flow transition of binary Lennard-Jones particle system
Inaoka, Hajime
2010-07-01
We simulate gas-liquid flows caused by rapid depressurization using a molecular dynamics model. The model consists of two types of Lennard-Jones particles, which we call liquid particles and gas particles. These two types of particles are distinguished by their mass and strength of interaction: a liquid particle has heavier mass and stronger interaction than a gas particle. By simulations with various initial number densities of these particles, we found that there is a transition from a spray flow to a network flow with an increase of the number density of the liquid particles. At the transition point, the size of the liquid droplets follows a power-law distribution, while it follows an exponential distribution when the number density of the liquid particles is lower than the critical value. The comparison between the transition of the model and that of models of percolation is discussed. The change of the average droplet size with the initial number density of the gas particles is also presented. © 2010 Elsevier B.V. All rights reserved.
Fowler's approximation for the surface tension and surface energy of Lennard-Jones fluids revisited
We present a detailed study of the validity of Fowler's approximation for calculating the surface tension and the surface energy of Lennard-Jones fluids. To do so, we consider three different explicit analytical expressions for the radial distribution function (RDF), including one proposed by our research group, together with very accurate expressions for the liquid and vapour densities, also proposed by our group. The calculation of the surface tension from the direct correlation function using both the Percus-Yevick and the hypernetted-chain approximations is also considered. Finally, our results are compared with those obtained by other authors by computer simulations or through relevant theoretical approximations. In particular, we consider the analytical expression proposed by Kalikmanov and Hofmans (1994 J. Phys.: Condens. Matter 6 2207-14) for the surface tension. Our results indicate that the values for the surface energy in Fowler's approximation obtained by other authors are adequate, and can be calculated from the RDF models. For the surface tension, however, the values considered as valid in previous works seem to be incorrect. The correct values can be obtained from our model for the RDF or from the Kalikmanov and Hofmans expression with suitable inputs
Face Detection and Recognition Using Viola-Jones with PCA-LDA and Square Euclidean Distance
Nawaf Hazim Barnouti
2016-05-01
Full Text Available In this paper, an automatic face recognition system is proposed based on appearance-based features that focus on the entire face image rather than local facial features. The first step in face recognition system is face detection. Viola-Jones face detection method that capable of processing images extremely while achieving high detection rates is used. This method has the most impact in the 2000’s and known as the first object detection framework to provide relevant object detection that can run in real time. Feature extraction and dimension reduction method will be applied after face detection. Principal Component Analysis (PCA method is widely used in pattern recognition. Linear Discriminant Analysis (LDA method that used to overcome drawback the PCA has been successfully applied to face recognition. It is achieved by projecting the image onto the Eigenface space by PCA after that implementing pure LDA over it. Square Euclidean Distance (SED is used. The distance between two images is a major concern in pattern recognition. The distance between the vectors of two images leads to image similarity. The proposed method is tested on three databases (MUCT, Face94, and Grimace. Different number of training and testing images are used to evaluate the system performance and it show that increasing the number of training images will increase the recognition rate.
Molecular Dynamics Simulation of the Lennard-Jones Polymers in a Good Solvent
We carried out united-atom Langevin dynamics simulations of polymer's equilibrium state in a good solvent. Our primary goal was a pedagogical exposition of fundamental equilibrium properties of isolated polymers in dilutions with a model that contains many features of real materials. The polymer was chosen to be a three-dimensional chain of N identical beads (monomers) without internal structure. Each monomer interacted with its two neighbors by a harmonic potential, which modeled a chemical bond. Additionally all monomers within a chain were assumed to interact through the Lennard-Jones (LJ) potential. Interaction with solvent and with other polymers was introduced using Langevin forces. Analyzing internal energy per polymer and radius of gyration as function of temperature we observed a rapid globule to coil phase transition. Also we studied elastic properties of single polymer chain for temperatures below the transition and identified three regions with different elastic behavior. Typical chain lengths in our simulations ranged from 100 to 1000 monomers. The elaborated software package can easily be modified to study e.g. the effect of polymer stiffness on thermodynamic behavior. (author)
Efficient Implementations of Molecular Dynamics Simulations for Lennard-Jones Systems
Watanabe, H.
2011-08-01
Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also explained. A simple spatialdecomposition-based strategy is adopted for parallelization. By utilizing the developed code, benchmark simulations are performed on a HITACHI SR16000/J2 system consisting of IBM POWER6 processors which are 4.7 GHz at the National Institute for Fusion Science (NIFS) and an SGI Altix ICE 8400EX system consisting of Intel Xeon processors which are 2.93 GHz at the Institute for Solid State Physics (ISSP), the University of Tokyo. The parallelization efficiency of the largest run, consisting of 4.1 billion particles with 8192 MPI processes, is about 73% relative to that of the smallest run with 128 MPI processes at NIFS, and it is about 66% relative to that of the smallest run with 4 MPI processes at ISSP. The factors causing the parallel overhead are investigated. It is found that fluctuations of the execution time of each process degrade the parallel efficiency. These fluctuations may be due to the interference of the operating system, which is known as OS Jitter.
Background: Tuberculosis (TB) is a granulomatous disease caused by Mycobacterium tuberculosis. The gold standard for the diagnosis of tuberculosis is detection of Mycobacterium tubercle bacilli. However, clinical scoring systems are most widely used for the diagnosis of TB in children. Objective: To determine the diagnostic accuracy of modified Kenneth Jones scoring criteria (MKJSC) in conformed cases of tuberculosis. Methodology: This cross-sectional comparative study was conducted in the department of Paediatrics, King Edward Medical University / Mayo Hospital, Lahore from January to June 2007. One hundred children below 15 years of age were enrolled. They were diagnosed as suspected cases of TB on the basis of fever and cough for more than 15 days. MKJSC was applied and each child was subjected to confirmatory test for TB. Results: There was an overall male preponderance of 54%. The mean age of study population was 1.8 +- 0.7 years. Out of 100 children, 66% were diagnosed as TB cases (23 with confirmatory tests and 43 with MKJSC of 5 or more). Sensitivity, specificity, positive and negative predictive value of MKJSC was 73.91%, 44.16%, 28.33%, and 85% respectively. Diagnostic accuracy of MKJSC was 51%. Conclusion: Present study does not support the hypothesis that MKJSC is a good alternative to confirmatory tests to diagnose tuberculosis in children. However, MKJSC is a simple tool, which can be applied to improve the case detection rate in the absence of sophisticated tests. (author)
Gu, Rongbao; Shao, Yanmin
2016-07-01
In this paper, a new concept of multi-scales singular value decomposition entropy based on DCCA cross correlation analysis is proposed and its predictive power for the Dow Jones Industrial Average Index is studied. Using Granger causality analysis with different time scales, it is found that, the singular value decomposition entropy has predictive power for the Dow Jones Industrial Average Index for period less than one month, but not for more than one month. This shows how long the singular value decomposition entropy predicts the stock market that extends Caraiani's result obtained in Caraiani (2014). On the other hand, the result also shows an essential characteristic of stock market as a chaotic dynamic system.
Jenny Jones: “my vision for London is of a more sustainable, fairer and cleaner city”
Jones, Jenny
2012-01-01
Green Party candidate for London Mayor Jenny Jones details her proposals to encourage a 10:1 ratio of company pay, to boost contracts to smaller firms through her mayoral office and how Londoners could have a safer and healthier life in the city. This is the third in a three part series with the mayoral candidates, including Brian Paddick and Ken Livingstone, with an introduction by Tony Travers.
Liu, Anping; Qi, Xiaoyang
2012-01-01
The current Chemistry at Harvard Molecular Mechanics (CHARMM) force field cannot accurately describe the properties of unsaturated phospholipid membranes. In this paper, a series of simulations was performed in which the Lennard-Jones (L-J) parameters of lipid acyl chains of dioleoylphosphatidylcholine (DOPC) were systematically adjusted. The results showed that adjustment of the L-J parameters in lipid acyl chains can significantly improve the current CHARMM force field. It was found that th...
Jones, Candace; Lorenzen, Mark; Sapsed, Jonathan
2016-01-01
The creative industries are on the rise across the globe and their economic importance is also increasing. Through their new book, The Oxford Handbook of Creative Industries, editors Candace Jones, Mark Lorenzen and Jonathan Sapsed offer a collection of scholarly articles reflecting on this growing sector through a number of disciplinary lenses, including economics, public policy, management and law. Elisa Pannini finds this a useful read not only for scholars researching the field, but also ...
Das, Subir K.; Horbach, Jürgen; Binder, Kurt
2003-01-01
Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture. The model is first equilibrated by a semi-grandcanonical Monte Carlo method, choosing the temperature and chemical potential difference $\\Delta \\mu$ between the two species as the given independent variables. Varying for $\\Delta \\mu=0$ the temperature and pa...
Allen, David; McAleer, Michael; Singh, Abhay
2016-01-01
textabstractThis paper features an analysis of the relationship between the DOW JONES Industrial Average Index (DJIA) and a sentiment news series using daily data obtained from the Thomson Reuters News Analytics (TRNA)1 provided by SIRCA (The Securities Industry Research Centre of the Asia Pacic). The recent growth in the availability of on-line financial news sources such as internet news and social media sources provides instantaneous access to financial news. Various commercial agencies ha...
Mamedov, Bahtiyar Akber; Somuncu, Elif
2016-04-01
An efficient analytical method to evaluate the third virial coefficient with Lennard-Jones (12-6) type potential is presented. Proposed approach is particularly suitable for analysis of various properties of three body systems. To conform the correctness of the calculation result, a comparison is given with the literature for NO2, SF6 and C2H2 molecules. Calculation results show that obtained formulae provide higher accuracy and efficiency than the proposed approaches in literature.
G A Adebayo; O Akinlade; L A Hussain
2005-02-01
The structures and autocorrelation functions of Al and Mg in the liquid state are investigated through the pair distribution function (), the diffusion coefficients as well as the shear viscosity via the Green{Kubo and Einstein relations. From the structure and the Enskog relation we determined the frequency of collisions of atoms in the first shell of () in the systems. We also discovered that the packing fraction of Lennard-Jones liquids should be approximately half the reduced density value. This approximation is accurate to within 99%. The temperature dependence of the pair distribution function and the atomic mean square displacement are investigated by performing simulations at various experimental temperatures and corresponding densities. The structures of the systems are affected by temperature via movements of atoms in the first minimum of (). The Lennard-Jones model shows that density dependence of the shear viscosity is in agreement with what is expected of simple liquids in the range of investigated temperatures and densities. In the gas limit, the Stoke-Einstein relation = B/2 is grossly overestimated by Lennard-Jones model. This could not be attributed to defficiencies in the model, as other investigators using first principle method could not obtain the gas limit of the Stoke-Einstein relation.
NSGIC GIS Inventory (aka Ramona) — This Fire and EMS Districts dataset, published at 1:4800 (1in=400ft) scale, was produced all or in part from Other information as of 2005. It is described as 'Jones...
Clarifying hierarchical age-period-cohort models: A rejoinder to Bell and Jones.
Reither, Eric N; Land, Kenneth C; Jeon, Sun Y; Powers, Daniel A; Masters, Ryan K; Zheng, Hui; Hardy, Melissa A; Keyes, Katherine M; Fu, Qiang; Hanson, Heidi A; Smith, Ken R; Utz, Rebecca L; Yang, Y Claire
2015-11-01
Previously, Reither et al. (2015) demonstrated that hierarchical age-period-cohort (HAPC) models perform well when basic assumptions are satisfied. To contest this finding, Bell and Jones (2015) invent a data generating process (DGP) that borrows age, period and cohort effects from different equations in Reither et al. (2015). When HAPC models applied to data simulated from this DGP fail to recover the patterning of APC effects, B&J reiterate their view that these models provide "misleading evidence dressed up as science." Despite such strong words, B&J show no curiosity about their own simulated data--and therefore once again misapply HAPC models to data that violate important assumptions. In this response, we illustrate how a careful analyst could have used simple descriptive plots and model selection statistics to verify that (a) period effects are not present in these data, and (b) age and cohort effects are conflated. By accounting for the characteristics of B&J's artificial data structure, we successfully recover the "true" DGP through an appropriately specified model. We conclude that B&Js main contribution to science is to remind analysts that APC models will fail in the presence of exact algebraic effects (i.e., effects with no random/stochastic components), and when collinear temporal dimensions are included without taking special care in the modeling process. The expanded list of coauthors on this commentary represents an emerging consensus among APC scholars that B&J's essential strategy--testing HAPC models with data simulated from contrived DGPs that violate important assumptions--is not a productive way to advance the discussion about innovative APC methods in epidemiology and the social sciences. PMID:26277370
A Hybrid Vehicle Detection Method Based on Viola-Jones and HOG + SVM from UAV Images
Yongzheng Xu
2016-08-01
Full Text Available A new hybrid vehicle detection scheme which integrates the Viola-Jones (V-J and linear SVM classifier with HOG feature (HOG + SVM methods is proposed for vehicle detection from low-altitude unmanned aerial vehicle (UAV images. As both V-J and HOG + SVM are sensitive to on-road vehicles’ in-plane rotation, the proposed scheme first adopts a roadway orientation adjustment method, which rotates each UAV image to align the roads with the horizontal direction so the original V-J or HOG + SVM method can be directly applied to achieve fast detection and high accuracy. To address the issue of descending detection speed for V-J and HOG + SVM, the proposed scheme further develops an adaptive switching strategy which sophistically integrates V-J and HOG + SVM methods based on their different descending trends of detection speed to improve detection efficiency. A comprehensive evaluation shows that the switching strategy, combined with the road orientation adjustment method, can significantly improve the efficiency and effectiveness of the vehicle detection from UAV images. The results also show that the proposed vehicle detection method is competitive compared with other existing vehicle detection methods. Furthermore, since the proposed vehicle detection method can be performed on videos captured from moving UAV platforms without the need of image registration or additional road database, it has great potentials of field applications. Future research will be focusing on expanding the current method for detecting other transportation modes such as buses, trucks, motors, bicycles, and pedestrians.
Detecting macroeconomic phases in the Dow Jones Industrial Average time series
Wong, Jian Cheng; Lian, Heng; Cheong, Siew Ann
2009-11-01
In this paper, we perform statistical segmentation and clustering analysis of the Dow Jones Industrial Average (DJI) time series between January 1997 and August 2008. Modeling the index movements and log-index movements as stationary Gaussian processes, we find a total of 116 and 119 statistically stationary segments respectively. These can then be grouped into between five and seven clusters, each representing a different macroeconomic phase. The macroeconomic phases are distinguished primarily by their volatilities. We find that the US economy, as measured by the DJI, spends most of its time in a low-volatility phase and a high-volatility phase. The former can be roughly associated with economic expansion, while the latter contains the economic contraction phase in the standard economic cycle. Both phases are interrupted by a moderate-volatility market correction phase, but extremely-high-volatility market crashes are found mostly within the high-volatility phase. From the temporal distribution of various phases, we see a high-volatility phase from mid-1998 to mid-2003, and another starting mid-2007 (the current global financial crisis). Transitions from the low-volatility phase to the high-volatility phase are preceded by a series of precursor shocks, whereas the transition from the high-volatility phase to the low-volatility phase is preceded by a series of inverted shocks. The time scale for both types of transitions is about a year. We also identify the July 1997 Asian Financial Crisis to be the trigger for the mid-1998 transition, and an unnamed May 2006 market event related to corrections in the Chinese markets to be the trigger for the mid-2007 transition.
Crystallization of Lennard-Jones nanodroplets: From near melting to deeply supercooled
Malek, Shahrazad M. A.; Morrow, Gregory P.; Saika-Voivod, Ivan
2015-03-01
We carry out molecular dynamics (MD) and Monte Carlo (MC) simulations to characterize nucleation in liquid clusters of 600 Lennard-Jones particles over a broad range of temperatures. We use the formalism of mean first-passage times to determine the rate and find that Classical Nucleation Theory (CNT) predicts the rate quite well, even when employing simple modelling of crystallite shape, chemical potential, surface tension, and particle attachment rate, down to the temperature where the droplet loses metastability and crystallization proceeds through growth-limited nucleation in an unequilibrated liquid. Below this crossover temperature, the nucleation rate is still predicted when MC simulations are used to directly calculate quantities required by CNT. Discrepancy in critical embryo sizes obtained from MD and MC arises when twinned structures with five-fold symmetry provide a competing free energy pathway out of the critical region. We find that crystallization begins with hcp-fcc stacked precritical nuclei and differentiation to various end structures occurs when these embryos become critical. We confirm that using the largest embryo in the system as a reaction coordinate is useful in determining the onset of growth-limited nucleation and show that it gives the same free energy barriers as the full cluster size distribution once the proper reference state is identified. We find that the bulk melting temperature controls the rate, even though the solid-liquid coexistence temperature for the droplet is significantly lower. The value of surface tension that renders close agreement between CNT and direct rate determination is significantly lower than what is expected for the bulk system.
Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture
We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ11 = σ22, with the same dispersive energy between like species, ϵ11 = ϵ22, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances rc and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance rc is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the molecules
Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture
Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Física Aplicada, Universidad de Huelva, 21007 Huelva (Spain); Moreno-Ventas Bravo, A. I. [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Geología, Universidad de Huelva, 21007 Huelva (Spain)
2015-09-14
We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related
Bold镙钉治疗Jones骨折%Treatment of 16 cases Jones fractures by open reduction and bold screw fixation
单宇; 蒋富贵; 张晓剑; 徐能
2013-01-01
Objective To evaluate the clinical effect of Bold screw fixation in the treatment of jones fracture.Method From March 2006 to May 2012,16 case of Jones fracture were treated by open reduction and Bold screw fixation.Result All the patients were obtained healing of bone reunion and followed up for 6～12 months,no residual pain and nonunion.According to Maryland foot scording system,9 cases were excellent,5 good,2 fair and the rate of excellent and good was 87.5 ％.Conclusion Bold screw fixation is an effective therapy for Jones fracture of open reduction and it has the benefit of early exercise,no need to remove,fixed solid.%目的 探讨Bold螺钉内固定治疗Jones骨折的临床疗效.方法 2006年3月～2012年5月,采用切开复位Bold螺钉内固定治疗Jones骨折16例.结果 16例均获随访,随访时间6～12m,均获得骨性愈合,未残留疼痛或骨不愈合.按Maryland足部评分系统评分,优9例,良5例,可2例,优良率87.5％.结论 Bold螺钉治疗Jones骨折具有早期功能锻炼、无需取出、固定稳固等优点,是治疗Jones骨折的有效方法.
S. C. Saxena
1967-04-01
Full Text Available The discussion on second virial and zero pressure Joule-Thomson coefficients of non polar gases and gas mixtures is given on the Lennard Jones Type Potentials with the choice of the repulsive index as 12 and 18. These studies are also extended to polar gases and gas mixtures by including the electric dipole-dipole moment term in the two potentials. The tabulations are given for the (18-6-3 potential to enable computations of second virial and Joule-Thomson coefficients.
Neirotti, J P; Freeman, D L; Doll, J D; Freeman, David L.
2000-01-01
The heat capacity and isomer distributions of the 38 atom Lennard-Jones cluster have been calculated in the canonical ensemble using parallel tempering Monte Carlo methods. A distinct region of temperature is identified that corresponds to equilibrium between the global minimum structure and the icosahedral basin of structures. This region of temperatures occurs below the melting peak of the heat capacity and is accompanied by a peak in the derivative of the heat capacity with temperature. Parallel tempering is shown to introduce correlations between results at different temperatures. A discussion is given that compares parallel tempering with other related approaches that ensure ergodic simulations.
Lutsko, James F.
2007-01-01
A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of the homogeneous fluid, obtained, e.g., from thermodynamic perturbation theory. Comparison to the DCF obtained from simulation of a Lennard-Jones fluid shows this to be a surprisingly good approximation for a wide range of densities. The model is used to co...
Eriksson, Josefine; Anna, Lindelöf
2015-01-01
The purpose of this study is to discuss and attempt to approach an answer to the question of how face detection could be used to measure attention in a lecture hall.The conclusion might help further studies in using face detection to provide teachers with tools which can be used to improve learning during lectures. Face detection in real time applications became possible in 2001 when Viola and Jones presented a new method several times faster than any previous attempt. In 2007 Liao et al. pre...
Makita, Shuichi; Kurokawa, Kazuhiro; Hong, Young-Joo; Li, En; Miura, Masahiro; Yasuno, Yoshiaki
2016-03-01
A new optical coherence angiography (OCA) method, called correlation mapping OCA (cmOCA), is presented by using the SNR-corrected complex correlation. An SNR-correction theory for the complex correlation calculation is presented. The method also integrates a motion-artifact-removal method for the sample motion induced decorrelation artifact. The theory is further extended to compute more reliable correlation by using multi- channel OCT systems, such as Jones-matrix OCT. The high contrast vasculature imaging of in vivo human posterior eye has been obtained. Composite imaging of cmOCA and degree of polarization uniformity indicates abnormalities of vasculature and pigmented tissues simultaneously.
Separdar, L; Davatolhagh, S
2013-02-01
We investigate the static structure and diffusive dynamics of binary Lennard-Jones mixture upon supercooling in the presence of gold nanoparticle within the framework of the mode-coupling theory of the dynamic glass transition in the direct space by means of constant-NVT molecular dynamics simulations. It is found that the presence of gold nanoparticle causes the energy per particle and the pressure of this system to decrease with respect to the bulk binary Lennard-Jones mixture. Furthermore, the presence of nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution functions to become shorter with respect to the bulk binary Lennard-Jones liquid. The dynamics of the liquid at a given density is found to be consistent with the mode-coupling theory (MCT) predictions in a certain range at low temperatures. In accordance with the idealized MCT, the diffusion constants D(T) show a power-law behavior at low temperatures for both types of binary Lennard-Jones (BLJ) particles as well as the gold atoms comprising the nanoparticle. The mode-coupling crossover temperature T(c) is the same for all particle types; however, T(c)=0.4 is reduced with respect to that of the bulk BLJ liquid, and the γ exponent is found to depend on the particle type. The existence of the nanoparticle causes the short-time β-relaxation regime to shorten and the range of validity of the MCT shrinks with respect to the bulk BLJ. It is also found that at intermediate and low temperatures the curves of the mean-squared displacements (MSDs) versus tD(T) fall onto a master curve. The MSDs follow the master curve in an identical time range with the long-time α-relaxation regime of the mode-coupling theory. By obtaining the viscosity, it is observed that the Stokes-Einstein relation remains valid at high and intermediate temperatures but breaks down as the temperatures approach T(c) as a result of the cooperative motion or activated processes. PMID:23496514
Separdar, L.; Davatolhagh, S.
2013-02-01
We investigate the static structure and diffusive dynamics of binary Lennard-Jones mixture upon supercooling in the presence of gold nanoparticle within the framework of the mode-coupling theory of the dynamic glass transition in the direct space by means of constant-NVT molecular dynamics simulations. It is found that the presence of gold nanoparticle causes the energy per particle and the pressure of this system to decrease with respect to the bulk binary Lennard-Jones mixture. Furthermore, the presence of nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution functions to become shorter with respect to the bulk binary Lennard-Jones liquid. The dynamics of the liquid at a given density is found to be consistent with the mode-coupling theory (MCT) predictions in a certain range at low temperatures. In accordance with the idealized MCT, the diffusion constants D(T) show a power-law behavior at low temperatures for both types of binary Lennard-Jones (BLJ) particles as well as the gold atoms comprising the nanoparticle. The mode-coupling crossover temperature Tc is the same for all particle types; however, Tc=0.4 is reduced with respect to that of the bulk BLJ liquid, and the γ exponent is found to depend on the particle type. The existence of the nanoparticle causes the short-time β-relaxation regime to shorten and the range of validity of the MCT shrinks with respect to the bulk BLJ. It is also found that at intermediate and low temperatures the curves of the mean-squared displacements (MSDs) versus tD(T) fall onto a master curve. The MSDs follow the master curve in an identical time range with the long-time α-relaxation regime of the mode-coupling theory. By obtaining the viscosity, it is observed that the Stokes-Einstein relation remains valid at high and intermediate temperatures but breaks down as the temperatures approach Tc as a result of the cooperative motion or activated processes.
Teaching computers to fold proteins
Winther, Ole; Krogh, Anders Stærmose
2004-01-01
A new general algorithm for optimization of potential functions for protein folding is introduced. It is based upon gradient optimization of the thermodynamic stability of native folds of a training set of proteins with known structure. The iterative update rule contains two thermodynamic averages...... which are estimated by (generalized ensemble) Monte Carlo. We test the learning algorithm on a Lennard-Jones (LJ) force field with a torsional angle degrees-of-freedom and a single-atom side-chain. In a test with 24 peptides of known structure, none folded correctly with the initial potential functions...
The inverse problem of parameterizing intermolecular potentials given macroscopic transport and thermodynamic data is addressed. Procedures are developed to create arbitrary-precision algorithms for transport collision integrals, using the Lennard-Jones (12–6) potential as an example. Interpolation formulas are produced that compute these collision integrals to four-digit accuracy over the reduced-temperature range 0.3≤T⁎≤400, allowing very fast computation. Lennard-Jones parameters for neon, argon, and krypton are determined by simultaneously fitting the observed temperature dependences of their viscosities and second virial coefficients—one of the first times that a thermodynamic and a dynamic property have been used simultaneously for Lennard-Jones parameterization. In addition to matching viscosities and second virial coefficients within the bounds of experimental error, the determined Lennard-Jones parameters are also found to predict the thermal conductivity and self-diffusion coefficient accurately, supporting the value of the Lennard-Jones (12–6) potential for noble-gas transport-property correlation
Amir Saadaoui
2015-02-01
Full Text Available In the course of the recent global crisis, the stock shocks are distributed and transmitted from their homes in the developed stock market to emerging stock markets. By supporting the development of emerging stock markets, this study aims to see the transmission of volatility between the Dow Jones stock index and the Dow Jones emerging Islamic stock indiex. In this study we have divided the period into three, periods, before, during and after this crisis to demonstrate the resilience of the Islamic market index in response to the global financial crisis. Another aim of this study is to provide a new guide line for investors in emerging stock market before making investment decisions. The data are daily, going from 02/01/2005 until 31/12/2012. To measure the transmission we used bivariate BEKK-GARCH and DCC-GARCH model. The result shows that there is a transmission mainly during the crisis period which means that the crisis affects all the financial assets whether Islamic or not. The same result also shows the preference to invest in both Islamic and classical stock indexes since they are less risky.
Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts
Chremos, Alexandros, E-mail: achremos@imperial.ac.uk [Department of Chemical Engineering, Centre for Process Systems Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Nikoubashman, Arash, E-mail: arashn@princeton.edu; Panagiotopoulos, Athanassios Z. [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States)
2014-02-07
In this contribution, we develop a coarse-graining methodology for mapping specific block copolymer systems to bead-spring particle-based models. We map the constituent Kuhn segments to Lennard-Jones particles, and establish a semi-empirical correlation between the experimentally determined Flory-Huggins parameter χ and the interaction of the model potential. For these purposes, we have performed an extensive set of isobaric–isothermal Monte Carlo simulations of binary mixtures of Lennard-Jones particles with the same size but with asymmetric energetic parameters. The phase behavior of these monomeric mixtures is then extended to chains with finite sizes through theoretical considerations. Such a top-down coarse-graining approach is important from a computational point of view, since many characteristic features of block copolymer systems are on time and length scales which are still inaccessible through fully atomistic simulations. We demonstrate the applicability of our method for generating parameters by reproducing the morphology diagram of a specific diblock copolymer, namely, poly(styrene-b-methyl methacrylate), which has been extensively studied in experiments.
Takeuchi, Hiroshi, E-mail: takehi@sci.hokudai.ac.jp
2015-08-18
Highlights: • Geometry optimization of ternary and quaternary Lennard-Jones clusters. • Elucidation of atomic compositions, growth sequence, and relative stability. • Pronounced effects of the atom-size difference on the features of the clusters. • High efficiency of atom-type conversions in the geometry optimization. - Abstract: Global-minimum geometries of ternary and quaternary Lennard-Jones clusters have been calculated with constraints on atomic compositions of the clusters. In the present study, the constraints were removed to obtain optimal compositions. The size ratios of the largest-sized atom to the smallest-sized one ranged from 1.1 to 1.6 whereas the depths of the interatomic potentials were constant. The heuristic method combined with the geometrical perturbations and atom-type conversion was used to search for the global minima of the clusters with up to 50 atoms. The smallest-sized and largest-sized atoms usually occupy cores and outer shells, respectively, and the atoms with intermediate sizes are often lacking. The size ratio has pronounced effects on the compositions, structures, and relative stability of the clusters.
Highlights: • Geometry optimization of ternary and quaternary Lennard-Jones clusters. • Elucidation of atomic compositions, growth sequence, and relative stability. • Pronounced effects of the atom-size difference on the features of the clusters. • High efficiency of atom-type conversions in the geometry optimization. - Abstract: Global-minimum geometries of ternary and quaternary Lennard-Jones clusters have been calculated with constraints on atomic compositions of the clusters. In the present study, the constraints were removed to obtain optimal compositions. The size ratios of the largest-sized atom to the smallest-sized one ranged from 1.1 to 1.6 whereas the depths of the interatomic potentials were constant. The heuristic method combined with the geometrical perturbations and atom-type conversion was used to search for the global minima of the clusters with up to 50 atoms. The smallest-sized and largest-sized atoms usually occupy cores and outer shells, respectively, and the atoms with intermediate sizes are often lacking. The size ratio has pronounced effects on the compositions, structures, and relative stability of the clusters
Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts
Chremos, Alexandros; Nikoubashman, Arash; Panagiotopoulos, Athanassios Z.
2014-02-01
In this contribution, we develop a coarse-graining methodology for mapping specific block copolymer systems to bead-spring particle-based models. We map the constituent Kuhn segments to Lennard-Jones particles, and establish a semi-empirical correlation between the experimentally determined Flory-Huggins parameter χ and the interaction of the model potential. For these purposes, we have performed an extensive set of isobaric-isothermal Monte Carlo simulations of binary mixtures of Lennard-Jones particles with the same size but with asymmetric energetic parameters. The phase behavior of these monomeric mixtures is then extended to chains with finite sizes through theoretical considerations. Such a top-down coarse-graining approach is important from a computational point of view, since many characteristic features of block copolymer systems are on time and length scales which are still inaccessible through fully atomistic simulations. We demonstrate the applicability of our method for generating parameters by reproducing the morphology diagram of a specific diblock copolymer, namely, poly(styrene-b-methyl methacrylate), which has been extensively studied in experiments.
Mechanical Stretching of Proteins: Calmodulin and Titin
Cieplak, Marek
2004-01-01
Mechanical unfolding of several domains of calmodulin and titin is studied using a Go-like model with a realistic contact map and Lennard-Jones contact interactions. It is shown that this simple model captures the experimentally observed difference between the two proteins: titin is a spring that is tough and strong whereas calmodulin acts like a weak spring with featureless force-displacement curves. The difference is related to the dominance of the alpha secondary structures in the native s...
Reyes, J.; Morales-Esteban, A.; González, E.; Martínez-Álvarez, F.
2016-07-01
In this research, a new algorithm for generating a stochastic earthquake catalog is presented. The algorithm is based on the acceptance-rejection sampling of von Neumann. The result is a computer simulation of earthquakes based on the calculated statistical properties of each zone. Vere-Jones states that an earthquake sequence can be modeled as a series of random events. This is the model used in the proposed simulation. Contrariwise, Utsu indicates that the mainshocks are special geophysical events. The algorithm has been applied to zones of Chile, China, Spain, Japan, and the USA. This allows classifying the zones according to Vere-Jones' or Utsu's model. The results have been quantified relating the mainshock with the largest aftershock within the next 5 days (which has been named as Bath event). The results show that some zones fit Utsu's model and others Vere-Jones'. Finally, the fraction of seismic events that satisfy certain properties of magnitude and occurrence is analyzed.
李成、田爱平会见国际不锈钢论坛秘书长（ISSF）Jone Rowe
无
2013-01-01
9月10日上午，中国特钢企业协会名誉会长、顾问李成、秘书长田爱平存北京会见了国际不锈钢论坛（ISSF）Jone Rowe。Jone Rowe首先对李成在第八届中国国际不锈钢大会上的发言表示赞成，他特别同意李成关于开拓不锈钢市场是我们不锈钢业界最重要的任务的观点。
Benoît Depardieu
2009-11-01
Full Text Available On January 7, 1933, two years before Gershwin’s Porgy and Bess, The Emperor Jones, composed by Louis Gruenberg in 1931, had its world premiere at the Metropolitan Opera of New York. Although Gruenberg’s opera looks like a mere musical adaptation of O’Neill’s acclaimed play, first performed in 1920, some alterations made by the composer allow to question its ambivalent reception by the audience and the critics. Apart from the singular choice of O’Neill’s play and Gruenberg’s special interest in African American music and vocal traditions, this paper analyses the influence of the Harlem Renaissance period and the fantasmatics of race, present in both the play and the opera, albeit exacerbated in the latter through the scopic enjoyment of the body of the black Other.
Ann Conway-Jones, Gregory of Nyssa’s Tabernacle Imagery in its Jewish and Christian Contexts
Vinel, Françoise
2016-01-01
S’il fallait caractériser la perspective et la méthode définies par Ann Conway-Jones (ACJ) dans le premier chapitre du livre, on pourrait utiliser le titre des études publiées par Sarah Coakley sous le titre : Re-Thinking Gregory of Nyssa, paru en 2003 chez Blackwell à Oxford. Le renouvellement de l’approche de l’œuvre et de la pensée du Cappadocien passe par le refus ou du moins la critique de distinctions longtemps considérées comme opératoires (christianisme/platonisme, théologie/spiritual...
Jung, Jiyun; Lee, Jumin; Kim, Jun Soo
2015-03-01
We present a simulation study on the mechanisms of a phase separation in dilute fluids of Lennard-Jones (LJ) particles as a model of self-interacting molecules. Molecular dynamics (MD) and Brownian dynamics (BD) simulations of the LJ fluids are employed to model the condensation of a liquid droplet in the vapor phase and the mesoscopic aggregation in the solution phase, respectively. With emphasis on the cluster growth at late times well beyond the nucleation stage, we find that the growth mechanisms can be qualitatively different: cluster diffusion and coalescence in the MD simulations and Ostwald ripening in the BD simulations. We also show that the rates of the cluster growth have distinct scaling behaviors during cluster growth. This work suggests that in the solution phase the random Brownian nature of the solute dynamics may lead to the Ostwald ripening that is qualitatively different from the cluster coalescence in the vapor phase.
Two metallic bulk glasses, Cu60Zr30Ti10 and Cu47Ti33Zr11Ni8Si1, with a diameter of 3 mm were prepared by copper mold casting method. Dilatometric measurement was carried out on the two glassy alloys to obtain information about the average nearest-neighbour distance r0 and the effective depth of pair potential V0. By assuming a Lennard-Jones potential, r0 and V0 were calculated to be 0.28 nm and 0.16 eV for Cu60Zr30Ti10 and 0.27 nm and 0.13 eV for Cu47Ti33Zr11Ni8Si1, respectively. It was found that the glassy alloy Cu60Zr30Ti10 was more stable than Cu47Ti33Zr11Ni8Si1 against heating from both experiment and calculation
A new approach to calculating diffusivities, both transport as well as equilibrium, is presented. The dual control volume grand canonical molecular dynamics (or DCV-GCMD) method employs two local control volumes for chemical potential control via particle creation/destruction as in grand canonical Monte Carlo (GCMC) simulations. The control volumes are inserted in a standard NVT molecular dynamics simulation yielding a simulation with stochastic chemical potential control that may be thought of as a hybrid GCMC-MD approach. The geometrical control of the chemical potential enables a steady state chemical potential gradient to be established in the system. By measuring the density profile and flux, Fick's law is used to determine the diffusivity. An example calculation is presented for a simple Lennard-Jones system
Perturbation approach for equation of state for hard-sphere and Lennard–Jones pure ﬂuids
S B Khasare; M S Deshpande
2011-06-01
In this paper we have established the equation of state (EOS) for liquids. The EOS was established for hard-sphere (HS) ﬂuid along with Lennard–Jones (LJ) ﬂuid incorporating perturbation techniques. The calculations are based on suitable axiomatic functional forms for surface tension $S_m (r )$, $r ≥ d/2$ with intermolecular separation , as a variable, and is an arbitrary real number (pole). The results for /ρ from the present EOS thus obtained are compared with Percus-Yevick (PY), scaled particle theory (SPT), and Carnahan–Starling (CS). In addition, we have found a simple EOS for the HS ﬂuid in the region which represents the simulation data accurately. It is observed that, this EOS for HS gives, PY (pressure) for = 0, CS for = 4/5, whereas for = 1 it corresponds to SPT.
Makita, Shuichi; Kurokawa, Kazuhiro; Hong, Young-Joo; Miura, Masahiro; Yasuno, Yoshiaki
2016-01-01
This paper describes a complex correlation mapping algorithm for optical coherence angiography (cmOCA). The proposed algorithm avoids the signal-to-noise ratio dependence and exhibits low noise in vasculature imaging. The complex correlation coefficient of the signals, rather than that of the measured data are estimated, and two-step averaging is introduced. Algorithms of motion artifact removal based on non perfusing tissue detection using correlation are developed. The algorithms are implemented with Jones-matrix OCT. Simultaneous imaging of pigmented tissue and vasculature is also achieved using degree of polarization uniformity imaging with cmOCA. An application of cmOCA to in vivo posterior human eyes is presented to demonstrate that high-contrast images of patients’ eyes can be obtained. PMID:27446673
A simple water model in the presence of inert Lennard-Jones obstacles II: the hydrophobic effect
Kurtjak, Mario; Urbic, Tomaz
2015-04-01
Using Monte Carlo computer simulations, hydrophobic effect for a non-polar particle with the diameter of a water molecule was studied in water, confined within a disordered matrix. Freely mobile two-dimensional Mercedes-Benz water was put in a disordered, but fixed, matrix of Lennard-Jones disks. Influence of temperature and matrix properties on the thermodynamic quantities of a non-polar solute solvation was studied. The hydrophobic effect is changed by the presence of the obstacles. Smaller matrix particles change the solute-water structure and thermodynamics drastically, as it was also observed for the properties of pure confined water. The study is bringing new scientific important observations in understanding the role of hydrophobic forces under confinement.
[Purpura: primary systemic amyloidosis manifestation].
Lestre, Sara; Gonçalves, Andreia; João, Alexandre; Ferreira, Ana; Apetato, Margarida
2009-01-01
Primary Systemic Amyloidosis (AL) is the most frequent form of systemic amyloidosis and its morbilility is associated with immunoglobulin light chains deposition in vital organs. The mucocutaneous manifestations occur in about 30-40% of the cases and are important in diagnostic suspicion, once they appear in early stages of disease. We report a 71-years-old female patient, with disseminated purpura and cutaneous fragility with 6 months of evolution, accompanied by recent complaints of dysphagy. The first laboratory evaluation didn't show any alterations. The histological and immunohistochemical study of subcutaneous abdominal fat and skin biopsy showed lambda type amyloid protein. In the systemic work-up, we highlight a proteinúria > 1g/24h with Bence Jones proteins and the presence of monoclonal immunoglobulin light chain (lambda type) in serum immunoelectrophoresis. With the diagnosis of primary systemic amyloidosis, treatment with prednisolone and melphalan was started. PMID:19686633
Kulinskii, Vladimir
2012-01-01
In this communication we show that the surface tension of the real fluids of the Lennard-Jones type can be obtained from the surface tension of the lattice gas (Ising model) on the basis of the global isomorphism approach developed earlier for the bulk properties.
Ouincy Jones / Quincy Jones ; intervjueerinud Emil Wilbekin
Jones, Quincy, 1933-
2009-01-01
Endise jazzartisti ja preaguse muusikaärimehe, produtsendi Quincy Jonesi mõtteid tööst viieosalise dokumentaalfilmiga "Say it Loud: Black Music in America" , tööst Michael Jacksoniga ja muusikast
Nodular liver lesions involving multiple myeloma: A case report and literature review
Xiao-Ning Wu; Xin-Yan Zhao; Ji-Dong Jia
2009-01-01
We report a case of a 62-year old woman admitted to our hospital for multiple nodular metastatic liver lesions found by ultrasonography in a regular medical examination. Routine laboratory tests were normal.PET-CT showed multiple bone lesions and nodular liver lesions. Liver biopsy revealed nodular infiltration of multiple myeloma with positive staining of kappa light chain. Further investigation of bone marrow aspiration, immunofixation and immunoelectrophoresis of serum protein, urine test for Bence-Jones protein,β2-microglobulin in serum and urine confirmed the diagnosis. The patient also coinfected with hepatitis C virus (HCV). With six cycles of chemotherapy with VAD schedule, she achieved complete remission. In this report, a literature review of liver lesions involving multiple myeloma is also provided.
To describe short time (picosecond) and small scale (nanometre) transport in fluids, a Green's function approach was recently developed. This approach relies on an expansion of the distribution of single particle displacements around a Gaussian function, yielding an infinite series of correction terms. Applying a recent theorem (van Zon and Cohen 2006 J. Stat. Phys. 123 1–37) shows that for sufficiently small times the terms in this series become successively smaller, so that truncating the series near or at the Gaussian level might provide a good approximation. In this paper, we derive a theoretical estimate for the time scale at which truncating the series at or near the Gaussian level could be supposed to be accurate for equilibrium nanoscale systems. In order to numerically estimate this time scale, the coefficients for the first few terms in the series are determined in computer simulations for a Lennard-Jones (LJ) fluid, an isotopic LJ mixture and a suspension of a LJ-based model of nanoparticles in a LJ fluid. The results suggest that for LJ fluids an expansion around a Gaussian is accurate at time scales up to a picosecond, while for nanoparticles in suspension (a nanofluid), the characteristic time scale up to which the Gaussian is accurate becomes of the order of 5–10 ps. (invited article)
Kikugawa, Gota; Ando, Shotaro; Suzuki, Jo; Naruke, Yoichi; Nakano, Takeo; Ohara, Taku
2015-01-01
In the present study, molecular dynamics (MD) simulations on the monatomic Lennard-Jones liquid in a periodic boundary system were performed in order to elucidate the effect of the computational domain size and shape on the self-diffusion coefficient measured by the system. So far, the system size dependence in cubic computational domains has been intensively investigated and these studies showed that the diffusion coefficient depends linearly on the inverse of the system size, which is theoretically predicted based on the hydrodynamic interaction. We examined the system size effect not only in the cubic cell systems but also in rectangular cell systems which were created by changing one side length of the cubic cell with the system density kept constant. As a result, the diffusion coefficient in the direction perpendicular to the long side of the rectangular cell significantly increases more or less linearly with the side length. On the other hand, the diffusion coefficient in the direction along the long side is almost constant or slightly decreases. Consequently, anisotropy of the diffusion coefficient emerges in a rectangular cell with periodic boundary conditions even in a bulk liquid simulation. This unexpected result is of critical importance because rectangular fluid systems confined in nanospace, which are present in realistic nanoscale technologies, have been widely studied in recent MD simulations. In order to elucidate the underlying mechanism for this serious system shape effect on the diffusion property, the correlation structures of particle velocities were examined.
O’Neill’s Treatment of Racism in All God’s Chillum Got Wings and the Emperor Jones
Asim Karim
2011-07-01
Full Text Available Society and culture of a particular place is governed by certain elements that have substantial impact on the very personality and behavior of people of that very place. These elements range from such micro ones as home and family to such macro ones as religious affiliation, ethnic and sectarian belongingness and economic conditions. The impact of these cultural elements could be substantially meaningful in developing healthy personality traits or regressive behavioral defects. American literature provides rich study of what could be the disturbing role of such factor as racial belongingness on personality and behavior. O’Neill treatment of racial factor did not develop into a set pattern in his long dramatic career and the consensus is that he predominantly followed stereotypic image of the white/black in American society. This study, however, evaluates specific impact of racism in personality/behavioral disintegration in All God Chillum Got wings and The Emperor Jones. Secondly it asserts that the peculiar psychic states as highlighted in All God’s Chillum in particular match similar states produced in his other plays not concerned with racism. Thus the treatment of personality regression here is in line with similar states in other plays.
Based on the expansion and extension of the virial equation of state (EOS) of hard-sphere fluids solved by the Percus–Yevick integration equation, a universal cubic (UC) EOS is developed. The UC EOS is applied to model hard-sphere and Lennard-Jones (LJ) fluids, simple Ar and N2 liquids at low temperatures, and supercritical Ar and N2 fluids at high temperatures, as well as ten solids, respectively. The three parameters are determined for the hard-sphere fluid by fitting molecular dynamics (MD) simulation data of the third to eighth virial coefficients in the literature; for other fluids by fitting isothermal compression data; and for solids by using the Einstein model. The results show that the UC EOS gives better results than the Carnahan–Starling EOS for compressibility of hard-sphere fluids. The Helmholtz free energy and internal energy for LJ fluids are predicted and compared with MD simulation data. The calculated pressures for simple Ar and N2 liquids are compared with experimental data. The agreement is fairly good. Eight three-parameter EOSs are applied to describe isothermals of ten typical solids. It is shown that the UC EOS gives the best precision with correct behavior at high-pressure limitation. The UC EOS considering thermal effects is used to analytically evaluate the isobaric thermal expansivity and isothermal compressibility coefficients. The results are in good agreement with experimental data. (paper)
HARDEGREE, STUART P.; Jones, Thomas A.; VACTOR, STEVEN S. VAN
2002-01-01
Bottlebrush squirreltail [Elymus elymoides (Raf.) Swezey = Sitanion hystrix (Nutt.) J. G. Smith] and big squirreltail [Elymus multisetus (J. G. Smith) M. E. Jones = Sitanion jubatum (J. G. Smith)] have a broad geographical distribution and have been identified as high priority species for restoration of degraded rangelands in the western United States. These rangelands exhibit high annual and seasonal variability in seedbed microclimate. The objective of this study was to examine variability ...
Das, Subir K.; Horbach, Jürgen; Binder, Kurt
2004-01-01
A Lennard--Jones model of a binary dense liquid (A,B) with a symmetrical miscibility gap is investigated by means of computer simulation methods. Semigrand--canonical Monte Carlo simulations yield the phase diagram in the $T$--$x$ plane ($T$: temperature, $x$: concentration of A or B particles) as well as equilibrated configurations at coexistence. Then Molecular Dynamics simulations use these configurations to determine static properties (isothermal compressibility $\\kappa_T$ and concentrati...
Sequencing of folding events in Go-like proteins
Hoang, Trinh Xuan; Cieplak, Marek
2000-01-01
We have studied folding mechanisms of three small globular proteins: crambin (CRN), chymotrypsin inhibitor 2 (CI2) and the fyn Src Homology 3 domain (SH3) which are modelled by a Go-like Hamiltonian with the Lennard-Jones interactions. It is shown that folding is dominated by a well-defined sequencing of events as determined by establishment of particular contacts. The order of events depends primarily on the geometry of the native state. Variations in temperature, coupling strengths and visc...
Scaling of Folding Properties in Go Models of Proteins
Cieplak, Marek; Xuan Hoang, Trinh
2000-01-01
Insights about scaling of folding properties of proteins are obtained bystudying folding in heteropolymers described by Go-like Hamiltonians. Bothlattice and continuum space models are considered. In the latter case, themonomer-monomer interactions correspond to the Lennard-Jones potential.Several statistical ensembles of the two- and three-dimensional targetnative conformations are considered. Among them are maximally compactconformations which are confined to a lattice and those which are o...
P. Smetacek
2012-08-01
Full Text Available Two hundred and forty three species of butterflies recorded from Jones Estate, Uttarakhand between 1951 and 2010 are reported. The ongoing rapid urbanization of Jones Estate micro-watershed will destroy the habitat of 49 species of wildlife protected under Indian law, as well as several species of narrow endemic moths and butterflies. The only known Indian habitat for the butterfly Lister’s Hairstreak Pamela dudgeoni will be destroyed. The effect on the water flow of both the Bhimtal and Sattal lake systems will clearly be adverse, as is evident from the drying up of Kua Tal and the reduced flow of perennial water springs during the dry season on the Estate. The undoubtedly negative effect of urbanization on these valuable fresh water resources will be irreversible in the long term. The trend can be reversed by extending protection to Jones Estate by re-declaring it a Green Belt of Bhimtal and by banning construction in the catchment area of Bhimtal lake, as has been done in Nainital and Mussoorie, both in Uttarakhand.
王言金; 张树道; 李华; 周海兵
2016-01-01
Jones-Wilkins-Lee (JWL)状态方程是一种不显含化学反应、由实验方法确定参数的半经验状态方程，能比较精确地描述爆轰产物的膨胀驱动做功过程。在JWL状态方程中有多个未知(不确定)参数需要确定。传统的确定JWL状态方程参数的方法是“调参数”，人为因素影响较大，无法给出参数的不确定性信息。本文利用贝叶斯分析方法研究了炸药的不确定参数，该方法能够基于以往的认识、实验和模拟数据标定(calibration)不确定参数。在本文结果中，不确定参数的后验分布均值与文献结果相符合，基于参数标定结果的数值模拟90%置信区间完全包含实验数据。数值标定结果说明贝叶斯参数标定适用于确定样品炸药的JWL状态方程参数。特别是，在本文JWL状态方程参数标定过程中极大地减少了人为因素的影响。%Equation of state of detonation products possesses various types of mathematical expressions which describe the relation between pressure and volume. Jones-Wilkin-Lee (JWL) equation of state is a widely used equation of state of detonation products because of its simplicity in hydrodynamic calculations. The JWL equation of state may accurately describe the process of expansion drive of detonation products. The JWL equation of state contains parameters, and describe the relation among the volume, energy and pressure of detonation products. These parameters may be deter-mined by detonation experimental data and numerical method. Traditional numerical method is adjusting parameters based on experimental data and numerical experience. Obviously, artificial ingredient may affect the calibrating result in traditional method. This paper uses the Bayesian method to determine the unknown (uncertain) parameter of JWL equation of state for detonation products. The method can calibrate the uncertain parameters based on the known parameter information, the experimental and
Effective protein-protein interaction from structure factor data of a lysozyme solution
We report the determination of an effective protein-protein central potential for a lysozyme solution, obtained from the direct inversion of the total structure factor of the system, as extracted from small angle neutron scattering. The inversion scheme rests on a hypernetted-chain relationship between the effective potential and the structural functions, and is preliminarily tested for the case of a Lennard-Jones interaction. The characteristics of our potential are discussed in comparison with current models of effective interactions in complex fluids. The phase behavior predictions are also investigated
Scaling relation and regime map of explosive gas–liquid flow of binary Lennard-Jones particle system
Inaoka, Hajime
2012-02-01
We study explosive gasliquid flows caused by rapid depressurization using a molecular dynamics model of Lennard-Jones particle systems. A unique feature of our model is that it consists of two types of particles: liquid particles, which tend to form liquid droplets, and gas particles, which remain supercritical gaseous states under the depressurization realized by simulations. The system has a pipe-like structure similar to the model of a shock tube. We observed physical quantities and flow regimes in systems with various combinations of initial particle number densities and initial temperatures. It is observed that a physical quantity Q, such as pressure, at position z measured along a pipe-like system at time t follows a scaling relation Q(z,t)=Q(zt) with a scaling function Q(ζ). A similar scaling relation holds for time evolution of flow regimes in a system. These scaling relations lead to a regime map of explosive flows in parameter spaces of local physical quantities. The validity of the scaling relations of physical quantities means that physics of equilibrium systems, such as an equation of state, is applicable to explosive flows in our simulations, though the explosive flows involve highly nonequilibrium processes. In other words, if the breaking of the scaling relations is observed, it means that the explosive flows cannot be fully described by physics of equilibrium systems. We show the possibility of breaking of the scaling relations and discuss its implications in the last section. © 2011 Elsevier B.V. All rights reserved.
Clinical analysis of kidney impairement in multiple myeloma%多发性骨髓瘤肾脏损害的临床分析
保红云; 荣冬靖; 邱敏; 王丽
2011-01-01
Objective To investigate the clinical characteristics and the correlative factor of kidney lesion in multiple myeloma.Methods Retrospective analysis was performed on the clinical characteristics and laboratory data of 45 MM patients.Results The incidence of kidney lesion was 42.2％, the most common kidney lesion was chronic renal failure.There was a significant correlation between the quantity of bone marrow plasmacyte,β2 - microglobulin, urine Bence - Jones protein and renal functional lesion(P ＜ 0.01 ).Anemia and bone lesion were correlated to kidney damage(P ＜ 0.05).Conclusion Proliferation of bone marrow plasmacyte,β2 - microglobulin and urine Bence - Jones protein are main causes of kidney lesion in multiple myeloma.%目的探讨多发性骨髓瘤肾脏损害的临床特征及其发生的相关因素.方法 对多发性骨髓瘤患者肾脏损害的临床表现及实验室检查进行回顾性分析.结果 肾脏损害发生率42.2%,以慢性肾功能不全最常见.骨髓浆细胞数量、β2微球蛋白(β2-MG)及尿游离轻链与肾功能损害之间有显著相关性(P<0.01);贫血及多发性骨损害与肾功能损害之间有相关性(P<0.05).结论 骨髓浆细胞增殖、β2-MG及尿游离轻链可能是多发性骨髓瘤肾脏损害的主要原因.
Immunological evidence of monoclonal gammopathy in North India: a hospital based study
Kalpana Singh
2010-08-01
Full Text Available Kalpana Singh1, Bhawna Singh2, Sarika Arora2, Alpana Saxena11Department of Biochemistry, Maulana Azad Medical College and LN Hospital, New Delhi, India; 2Department of Biochemistry, GB Pant Hospital, New Delhi, IndiaBackground: Monoclonal gammopathy of unknown significance (MGUS is a condition in which a paraprotein is found in the blood during standard laboratory tests. It is age-related and characterized by accumulation of bone marrow plasma cells derived from a single abnormal clone. The aim of this study was to investigate the pattern of MGUS in North Indian urban population.Methods: Serum and urine samples were collected from 320 suspected cases of gammopathy, were analyzed by sensitive immunological technique based protein electrophoresis followed by immunofixation for detection and type of monoclonal/polyclonal gammopathies. Twenty-five healthy subjects were included as controls.Results: Gammopathies were observed in 38 (11.88% patients. Out of these 7.5% were ¬monoclonal and 4.3% were polyclonal. Overall age of presentation of these monoclonal ¬gammopathies in both sexes was between 21 and 76 years. Gender-related ratio (men:women for these gammopathies was 1:1.18. Predominant heavy chain isotype was IgG (62.5% followed by IgA (37.5%. Among light chains, kappa (κ and lambda (λ chains appeared in 91.6% and 8.4% gammopathies respectively. Paraprotein fractions obtained were IgGκ (58.3%, IgGλ (4.16%, IgAκ (33.3%, and IgAλ (4.16% with 25% samples being positive for Bence Jones proteinuria.Conclusions: Clinical laboratories play an important role in confirming the immunological diagnosis of gammopathies. Determination of nature of paraproteinemia and its associated diseases calls for more extensive studies in India.Keywords: monoclonal gammopathy, immunoelectrophoresis, multiple myeloma, bence jones protein, immunoglobulins
HYDRAULICS, Jones County, Iowa
Federal Emergency Management Agency, Department of Homeland Security — Survey data includes spatial datasets and data tables necessary to digitally represent data collected in the survey phase of the study. (Source: FEMA Guidelines and...
Federal Emergency Management Agency, Department of Homeland Security — Hydrology data include spatial datasets and data tables necessary for documenting the hydrologic procedures for estimating flood discharges for a flood insurance...
Federal Emergency Management Agency, Department of Homeland Security — Terrain data, as defined in FEMA Guidelines and Specifications, Appendix N: Data Capture Standards, describes the digital topographic data that was used to create...
Federal Emergency Management Agency, Department of Homeland Security — The Floodplain Mapping/Redelineation study deliverables depict and quantify the flood risks for the study area. The primary risk classifications used are the...
Cooperativity and Contact Order in Protein Folding
Cieplak, Marek
2004-01-01
The effects of cooperativity are studied within Go-Lennard-Jones models of proteins by making the contact interactions dependent on the proximity to the native conformation. The kinetic universality classes are found to remain the same as in the absence of cooperativity. For a fixed native geometry, small changes in the effective contact map may affect the folding times in a chance way and to the extent that is comparable to the shift in the folding times due to cooperativity. The contact ord...
Ilaria Parini
2015-01-01
Abstract - Chick lit is a genre comprised of books chiefly written by women for women. These books are mainly characterized by the tone, which is very confidential and personal, and often relies on the use of colloquial and slangy (and occasionally obscene) expressions, by the use of humour, and by the numerous references to popular culture. This paper aims at analyzing the strategies used in the Italian translation of one of the best-known examples of the genre, Helen Fielding’s Bridget Jone...
2007-01-01
En résumé INTRODUCTION Pour ce mémoire j ai choisi trois uvres réalistes, notamment The History of Tom Jones, a Foundling publié par Henry Fielding en 1749, La Chartreuse de Parme de Stendhal (1839) et Vanity Fair, a novel without a hero de William Makepeace Thackeray qui est paru en feuilleton en 1847-48. Je me concentrerai sur la Chartreuse et me servirai d exemples des deux autres uvres pour mettre en relief celle de Stendhal. Stendhal et Fielding partageaient « le m...
Miyata, Tatsuhiko; Miyazaki, Sanae
2016-08-01
The accuracy of the temperature derivative of radial distribution function obtained under hypernetted chain (HNC), Kovalenko-Hirata (KH), Percus-Yevick (PY) and Verlet-modified (VM) closure approximations is examined for one-component Lennard-Jones fluid. As relevant thermodynamic quantities, constant-volume heat capacity and thermal pressure coefficient are investigated in terms of their accuracy under the above four approximations. It is found that HNC and KH closures overestimate these quantities, whereas PY closure tends to underestimate them. VM closure predicts rather accurately the quantities. A significant cancellation is observed along the integration for the above quantities under HNC and KH closures, especially at high density state.
Robert EA Stewart; Born, Erik W.; J Blair Dunn; William R Koski; Anna K Ryan
2013-01-01
Surveys to estimate walrus abundance at terrestrial haulout sites in the Penny Strait-Lancaster Sound (PS-LS) and West Jones Sound (WJS) stocks were conducted in 1977 and 1998-2009. The Minimum Counted Population (MCP) was similar in 1977 (565) to recent years (557) for the PS-LS stock. The MCP for the WJS stock was higher in recent surveys (404) than in 1977 (290). Regression analysis of MCP and density (number of walrus divided by number of haulouts surveyed) showed no significant trends ov...
An improved microscopic cleavage model, based on a Morse-type and Lennard-Jones-type interaction instead of the previously employed half-sine function, is used to determine the maximum cleavage strength for the brittle materials diamond, tungsten, molybdenum, silicon, GaAs, silica, and graphite. The results of both interaction potentials are in much better agreement with the theoretical strength values obtained by ab initio calculations for diamond, tungsten, molybdenum, and silicon than the previous model. Reasonable estimates of the intrinsic strength are presented for GaAs, silica, and graphite, where first principles values are not available
Wang, Yankui; Liu, Ji; Xiao, Jiajie; Zhong, Fan
2015-01-01
We show that, along the critical isobar, the complete scaling results in a unique leading scaling qualitatively distinct to that arising from the simple and the revised scalings. This is verified by a complete-field finite-time scaling theory, which combines the complete scaling with finite-time scaling, and its application to the molecular dynamics simulations of the vapor-liquid critical point of a three-dimensional one-component Lennard-Jones fluid in an isobaric-isothermal ensemble with l...
Folding of Proteins in Go Models with Angular Interactions
Cieplak, Marek; Hoang, Trinh Xuan
2003-01-01
Molecular dynamics studies of Go models of proteins with the 10-12 contact potential and the bond and dihedral angle terms indicate statistical similarities to other Go models, e.g. with the Lennard-Jones contact potentials. The folding times depend on the protein size as power laws with the exponents depending on the native structural classes. There is no dependence of the folding times on the relative contact order even though the folding scenarios are governed mostly by the contact order.
Chen, Yuh-Ing; Huang, Chi-Shen; Liu, Jann-Yenq
2015-12-01
We investigated the temporal-spatial hazard of the earthquakes after the 1999 September 21 MW = 7.7 Chi-Chi shock in a continental region of Taiwan. The Reasenberg-Jones (RJ) model (Reasenberg and Jones, 1989, 1994) that combines the frequency-magnitude distribution (Gutenberg and Richter, 1944) and time-decaying occurrence rate (Utsu et al., 1995) is conventionally employed for assessing the earthquake hazard after a large shock. However, it is found that the b values in the frequency-magnitude distribution of the earthquakes in the study region dramatically decreased from background values after the Chi-Chi shock, and then gradually increased up. The observation of a time-dependent frequency-magnitude distribution motivated us to propose a modified RJ model (MRJ) to assess the earthquake hazard. To see how the models perform on assessing short-term earthquake hazard, the RJ and MRJ models were separately used to sequentially forecast earthquakes in the study region. To depict the potential rupture area for future earthquakes, we further constructed relative hazard (RH) maps based on the two models. The Receiver Operating Characteristics (ROC) curves (Swets, 1988) finally demonstrated that the RH map based on the MRJ model was, in general, superior to the one based on the original RJ model for exploring the spatial hazard of earthquakes in a short time after the Chi-Chi shock.
Costigliola, Lorenzo; Schrøder, Thomas B; Dyre, Jeppe C
2016-06-21
The recent theoretical prediction by Maimbourg and Kurchan [e-print arXiv:1603.05023 (2016)] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension d goes to infinity is investigated for the standard 12-6 Lennard-Jones fluid. This is done by computer simulations for d = 2, 3, 4 going from the critical point along the critical isotherm/isochore to higher density/temperature. In both cases the virial potential-energy correlation coefficient increases significantly. For a given density and temperature relative to the critical point, with increasing number of dimension the Lennard-Jones system conforms better to the hidden-scale-invariance property characterized by high virial potential-energy correlations (a property that leads to the existence of isomorphs in the thermodynamic phase diagram, implying that it becomes effectively one-dimensional in regard to structure and dynamics). The present paper also gives the first numerical demonstration of isomorph invariance of structure and dynamics in four dimensions. Our findings emphasize the need for a universally applicable 1/d expansion in liquid-state theory; we conjecture that the systems known to obey hidden scale invariance in three dimensions are those for which the yet-to-be-developed 1/d expansion converges rapidly. PMID:27334147
Urrutia, Ignacio; Paganini, Iván E.
2016-05-01
We formulate a straightforward scheme of statistical mechanics for inhomogeneous systems that includes the virial series in powers of the activity for the grand free energy and density distributions. There, cluster integrals formulated for inhomogeneous systems play a main role. We center on second order terms that were analyzed in the case of hard-wall confinement, focusing in planar, spherical, and cylindrical walls. Further analysis was devoted to the Lennard-Jones system and its generalization, the 2k-k potential. For these interaction potentials, the second cluster integral was evaluated analytically. We obtained the fluid-substrate surface tension at second order for the planar, spherical, and cylindrical confinement. Spherical and cylindrical cases were analyzed using a series expansion in the radius including higher order terms. We detected a lnR/R2 dependence of the surface tension for the standard Lennard-Jones system confined by spherical and cylindrical walls, no matter if particles are inside or outside of the hard walls. The analysis was extended to bending and Gaussian curvatures, where exact expressions were also obtained.
Costigliola, Lorenzo; Schrøder, Thomas B.; Dyre, Jeppe C.
2016-06-01
The recent theoretical prediction by Maimbourg and Kurchan [e-print arXiv:1603.05023 (2016)] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension d goes to infinity is investigated for the standard 12-6 Lennard-Jones fluid. This is done by computer simulations for d = 2, 3, 4 going from the critical point along the critical isotherm/isochore to higher density/temperature. In both cases the virial potential-energy correlation coefficient increases significantly. For a given density and temperature relative to the critical point, with increasing number of dimension the Lennard-Jones system conforms better to the hidden-scale-invariance property characterized by high virial potential-energy correlations (a property that leads to the existence of isomorphs in the thermodynamic phase diagram, implying that it becomes effectively one-dimensional in regard to structure and dynamics). The present paper also gives the first numerical demonstration of isomorph invariance of structure and dynamics in four dimensions. Our findings emphasize the need for a universally applicable 1/d expansion in liquid-state theory; we conjecture that the systems known to obey hidden scale invariance in three dimensions are those for which the yet-to-be-developed 1/d expansion converges rapidly.
Molecular dynamics of folding of secondary structures in Go-type models of proteins
Hoang, Trinh Xuan; Cieplak, Marek
1999-01-01
We consider six different secondary structures of proteins and construct two types of Go-type off-lattice models: with the steric constraints and without. The basic aminoacid-aminoacid potential is Lennard Jones for the native contacts and a soft repulsion for the non-native contacts. The interactions are chosen to make the target secondary structure be the native state of the system. We provide a thorough equilibrium and kinetic characterization of the sequences through the molecular dynamic...
Devanathan, Ram
2016-05-01
Five decades ago, Gordon Moore, who would go on to co-found Intel Corporation, made a prescient observation about the exponential advance of semiconductor technology with a corresponding decrease in device cost. His prediction about the pace of doubling of the number of transistors in an integrated circuit came to be known eponymously as Moore’s law and has held true for 50 years. He also foresaw, way back in 1965, the development of home computers, electronic controls in automobiles, portable communications systems, and electronic wrist watches. Moore’s fascinating life, characterized by relentless innovation, charity and breathtaking humility, is the subject of this comprehensive authorized biography. The enthralling narrative is the product of collaboration between an academic (Thackray), a technology historian (Brock) and a journalist (Jones), and draws its material from numerous interviews, Moore’s meticulously maintained notes and professional records, personal papers, industry data, published volumes, and news accounts.
FU Dong; YAN Shu-Mei; WANG Xue-Min
2008-01-01
The excess Helmholtz free energy functional for four-site associating Lennard-Jones(LJ)fluid was formulated in terms of a modified fundamental measure theory for short-ranged interactions and a first-order mean-spherical approximation theory for long-ranged attraction.Within the framework of density functional theory,the thermodynamic properties including the average density isotherms,density profiles and fractions of not bonded monomers characterizing the coexistences between gas-like and liquid-like phases for capillary condensation,phase equilibria and equilibrium plate-fluid interfacial tensions were investigated.The influences of association energy,fluid-solid interaction and pore width on the inhomogeneous behavior of four-site associating LJ fluids confined in slit pores were discussed.
Zhang, Xuanni; Zhang, Chunmin
2013-01-01
A polarization interference imaging spectrometer based on Savart polariscope was presented. Its optical throughput was analyzed by Jones calculus. The throughput expression was given, and clearly showed that the optical throughput mainly depended on the intensity of incident light, transmissivity, refractive index and the layout of optical system. The simulation and analysis gave the optimum layout in view of both optical throughput and interference fringe visibility, and verified that the layout of our former design was optimum. The simulation showed that a small deviation from the optimum layout influenced interference fringe visibility little for the optimum one, but influenced severely for others, so a small deviation is admissible in the optimum, and this can mitigate the manufacture difficulty. These results pave the way for further research and engineering design.
Adidharma, Hertanto; Tan, Sugata P.
2016-07-01
Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T∗ ≤ 1.20) and high densities (0.96 ≤ ρ∗ ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.
F. Ould Kadour
2003-12-01
Full Text Available Abstract: Molecular dynamics calculations are carried out in order to find the properties of Lennard Jones liquids in different state points of their phase diagram. The spherical shape and the stability of the helium, neon, methane and nitrogen make the liquids easily accessible to numerical simulation. Thermodynamic, structural, and transport properties are studied and compared with both experimental data and recent theoretical investigations. In the present work, up to 22 state points are covered, some of which are near or at the triple point. It will be shown that the classical approach leads to data that are in very good agreement with experiments and other types of calculations. At high temperatures and low densities, we observe a decrease in the uncertainties in the stress autocorrelation function by increasing the number of iterations.
The Effectively Used Expressionistic Devices in The Emperor Jones%表现主义手法在《琼斯皇》中的应用
和伟
2004-01-01
本文从表现主义手法的角度对奥尼尔的进行了研究,着重探讨了表现主义手法在揭示剧中人物内心灵魂,挖掘人物的精神世界,展示其深刻的内心体验,及畸形心理形为中的体现.%This article inquires into how O' Neill uses expressionistic techniques to express Jones'inner world. The author points out the function of revealing the character's spirit, excavating the character's spiritual world, the character's profound experience and complicated abnormal psychology when O' Neill applies the symbology.
Solitons on H bonds in proteins
d'Ovidio, F.; Bohr, H.G.; Lindgård, Per-Anker
2003-01-01
A model for soliton dynamics on a hydrogen-bond network in helical proteins is proposed. It employs the formalism-of fully integrable Toda lattices in three dimensions which admit phonons as well as solitons along the hydrogen bonds of the helices. A simulation of the three-dimensional Toda lattice...... system shows that the solitons are spontaneously created and are stable and moving along the helix axis. A perturbation on one of the three H-bond lines forms solitons on the other H bonds as well. The robust solitary wave may explain very long-lived modes in the frequency range of 100 cm(-1) which are...... found in recent x-ray laser experiments. The dynamics parameters of the Toda lattice are in accordance with the usual Lennard-Jones parameters used for realistic H-bond potentials in proteins....
Mayara Paim Patel
2009-06-01
Full Text Available OBJETIVO: esta pesquisa objetivou avaliar cefalometricamente as alterações dentoesqueléticas de jovens com Classe II dentária tratados com o distalizador Jones jig. METODOLOGIA: foram avaliados 30 pacientes, sendo 15 de cada gênero, com média de idades iniciais de 13,63 anos; brasileiros, naturais da cidade de Bauru/SP, caracterizados por má oclusão de Classe II, 1ª e 2ª divisões de Angle sem comprometimento esquelético. Os jovens foram tratados com aparelho Jones jig a fim de distalizar os molares superiores a uma relação molar de "super Classe I"; sendo que esse dispositivo permaneceu, em média, por 0,55 anos. Ao final da sobrecorreção, os molares distalizados receberam um botão de Nance e, como ancoragem extrabucal, o aparelho extrabucal (AEB com tração média-alta, com o intuito de verticalizar e corrigir a angulação radicular dos molares distalizados. Foram realizadas telerradiografias em normal lateral inicial (T1 e pós-distalização (T2. As medidas cefalométricas foram submetidas ao teste t dependente de Student para avaliar as alterações de T1 para T2. RESULTADOS: com base nos resultados obtidos e a partir da metodologia empregada, observou-se alterações dentárias significativas, como a movimentação distal linear e angular, assim como a intrusão dos segundos e primeiros molares superiores no sentido vertical. Também se confirmou efeitos indesejáveis, como a perda de ancoragem refletida em mesialização, extrusão e angulação mesial dos segundos pré-molares, a protrusão dos incisivos superiores e o aumento do trespasse vertical e horizontal. Pode-se confirmar que certas movimentações dentárias promovem significativas alterações esqueléticas de estruturas localizadas à distância, ou seja, observou-se extrusão significativa dos segundos pré-molares superiores, o que resultou em rotação mandibular, aumento significativo da altura facial anteroinferior e protrusão do lábio inferior
Thermal motion in proteins: Large effects on the time-averaged interaction energies
Goethe, Martin; Fita, Ignacio; Rubi, J. Miguel
2016-03-01
As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.
Ebato, Yuki; Miyata, Tatsuhiko
2016-05-01
Ornstein-Zernike (OZ) integral equation theory is known to overestimate the excess internal energy, Uex, pressure through the virial route, Pv, and excess chemical potential, μex, for one-component Lennard-Jones (LJ) fluids under hypernetted chain (HNC) and Kovalenko-Hirata (KH) approximatons. As one of the bridge correction methods to improve the precision of these thermodynamic quantities, it was shown in our previous paper that the method to apparently adjust σ parameter in the LJ potential is effective [T. Miyata and Y. Ebato, J. Molec. Liquids. 217, 75 (2016)]. In our previous paper, we evaluated the actual variation in the σ parameter by using a fitting procedure to molecular dynamics (MD) results. In this article, we propose an alternative method to determine the actual variation in the σ parameter. The proposed method utilizes a condition that the virial and compressibility pressures coincide with each other. This method can correct OZ theory without a fitting procedure to MD results, and possesses characteristics of keeping a form of HNC and/or KH closure. We calculate the radial distribution function, pressure, excess internal energy, and excess chemical potential for one-component LJ fluids to check the performance of our proposed bridge function. We discuss the precision of these thermodynamic quantities by comparing with MD results. In addition, we also calculate a corrected gas-liquid coexistence curve based on a corrected KH-type closure and compare it with MD results.
Labovitch, Andrew
This dissertation examined electric utility CEO compensation during the years 2000 through 2011 for United States owned and operated companies. To determine the extent to which agency theory may apply to electric utility CEO compensation, this examination segmented the industry by four types of company financial metrics: revenue, earnings, stock price and the Dow Jones Utility Average; by five categories of CEO compensation: base salary, bonus, stock grants, all other compensation and total compensation; and by four categories of company size as measured by revenue: large, medium, small and the industry as a whole. Electric utility CEO compensation data was analyzed with the financial metrics to determine correlations. No type of compensation was highly correlated to any of the financial metrics for any size industry segment indicating that there was little agency. CEO compensation in large electric utility companies was higher than compensation in medium and smaller companies even though the CEOs at larger companies earned less per dollar of revenue and per dollar of earnings than their counterparts in smaller companies.
The conference was related with some of the major questions concerning global energy governance today, the role of the different international organizations dealing with energy, the rules of the game between market and state players, the efforts to deal with climate change, and the integration of emerging countries in global energy governance, the roles of the different international organizations dealing with energy (will we see further fragmentation or more cooperation between them?). Tatsuo Masuda in his contribution discussed global energy governance from an oil perspective. Andre Mernier noted the particular nature of the Energy Charter, which, as it is founded upon an international treaty, is unlike other organizations in being legally binding. The legal basis of the organization means that agreements are especially powerful. Then Richard H. Jones underlined that last summer's volatility in oil markets, the ensuing financial and economic crisis, the major disruption in gas supplies to European markets this winter and the upcoming climate change negotiations have led to increasing calls for a stronger global dialogue on energy issues. This dialogue should deal with prices and investment, energy security and climate change
Robert EA Stewart
2013-08-01
Full Text Available Surveys to estimate walrus abundance at terrestrial haulout sites in the Penny Strait-Lancaster Sound (PS-LS and West Jones Sound (WJS stocks were conducted in 1977 and 1998-2009. The Minimum Counted Population (MCP was similar in 1977 (565 to recent years (557 for the PS-LS stock. The MCP for the WJS stock was higher in recent surveys (404 than in 1977 (290. Regression analysis of MCP and density (number of walrus divided by number of haulouts surveyed showed no significant trends over time. We also calculated bounded count estimates for comparison. Finally, we used broad-scale behavioural data to estimate the proportion of the total stock that could be considered countable, to produce two adjusted estimates. We selected recent surveys with good coverage and ignored adjusted estimates that were lower than MCP. For the PS-LS stock, the adjusted MCP (with 95% CL was 672 (575-768 and 727 (623-831 walrus in 2007 and 2009, respectively. For WJS, the best estimates were the adjusted MCP of 503 (473-534 in 2008 and the adjusted bounded count of 470 (297-1732 in 2009. While both stocks appear to have remained stable over three decades, differences in survey coverage and possible differences in walrus distribution make precise population estimation difficult.
Impactos do Índice Dow Jones, Commodities e Câmbio sobre o Ibovespa: uma Análise do Efeito Contágio
Pedro Raffy Vartanian
2012-07-01
Full Text Available The purpose of this research is to evaluate the existence of contagion effects of the Dow Jones index, commodity prices and exchange rate on the trajectory of the Bovespa index in the period 1999-2010, and analyze the longterm relationships between the variables. The theoretical framework is based on contagion effect, which occurs in the spread of market disturbances from one country to another country as discussed by Dornbusch, Park and Claessens (2000, Pericoli and Sbracia (2003, and Forbes and Rigobon (2002, as well as in empirical studies such as Lamounier and Nogueira (2007, Tabak e Lima (2003, Groppo (2006 and Pimenta (2004, among others, complete with research of the impact on commodity prices in the stock market, as can be seen in Barr and Kantor (2002. For this purpose, a cointegration test from the procedure suggested by Johansen (1991 was applied, and a vector autoregression model (VAR, initially proposed by Sims (1980 and Sims (1986, with the causality/exogeneity Granger test, was utilized. The results of Johansen cointegration test did not indicate the existence of long-term relationships between the variables. As to short-term effects, the impulse response functions showed that the Brazilian stock market index reacts positively to shocks in commodity prices and the U.S. stock market, and it demonstrates a positive reaction to currency depreciation, which suggests presence of the contagion effect.
Matsumoto, Akira
2014-12-01
The thermodynamic functions for Lennard-Jones (9,6) gases with a hard core that are evaluated till the third virial coefficients, are investigated at an isobaric process. Some thermodynamic functions are analytically expressed as functions of intensive variables, temperature, and pressure. Some thermodynamic quantities for carbon dioxide are calculated numerically and drawn graphically. In critical states, the heat capacity diverges to infinity at the critical point while the Gibbs free energy, volume, enthalpy, and entropy are continuous at the critical point. In the coexistence of two phases, the boiling temperatures and the enthalpy changes of vaporization are obtained by numerical calculations for 20 substances. The Gibbs free energy indicates a polygonal line; entropy, volume, and enthalpy jump from the liquid to gaseous phase at the boiling point. The heat capacity does not diverge to infinity but shows a finite discrepancy at boiling point. This suggests that a first-order phase transition at the boiling point and a second-order phase transition may occur at the critical point.
Kristoufek, Ladislav
2015-06-01
We study power-law correlations properties of the Google search queries for Dow Jones Industrial Average (DJIA) component stocks. Examining the daily data of the searched terms with a combination of the rescaled range and rescaled variance tests together with the detrended fluctuation analysis, we show that the searches are in fact power-law correlated with Hurst exponents between 0.8 and 1.1. The general interest in the DJIA stocks is thus strongly persistent. We further reinvestigate the cross-correlation structure between the searches, traded volume and volatility of the component stocks using the detrended cross-correlation and detrending moving-average cross-correlation coefficients. Contrary to the universal power-law correlations structure of the related Google searches, the results suggest that there is no universal relationship between the online search queries and the analyzed financial measures. Even though we confirm positive correlation for a majority of pairs, there are several pairs with insignificant or even negative correlations. In addition, the correlations vary quite strongly across scales.
The US Department of Energy (DOE) has implemented a program to decontaminate radioactively contaminated sites that were formerly utilized by the Manhattan Engineer District (MED) and/or the Atomic Energy Commission (AEC) for activities that included handling of radioactive material. This program is referred to as the ''Formerly Utilized Sites Remedial Action Program'' (FUSRAP). Among these sites are Jones Chemical Laboratory, Ryerson Physical Laboratory, Kent Chemical Laboratory, and Eckhart Hall of The University of Chicago, Chicago, Illinois. Since 1977, the University of Chicago decontaminated Kent Chemical Laboratory as part of a facilities renovation program. All areas of Eckhart Hall, Ryerson Physical Laboratory, and Jones Chemical Laboratory that had been identified as contaminated in excess of current guidelines in the 1976-1977 surveys were decontaminated to levels where no contamination could be detected relative to natural backgrounds. All areas that required defacing to achieve this goal were restored to their original condition. The radiological evaluation of the sewer system, based primarily on the radiochemical analyses of sludge and water samples, indicated that the entire sewer system is potentially contaminated. While this evaluation was defined as part of this project, the decontamination of the sewer system was not included in the purview of this effort. The documentation included in this report substantiates the judgment that all contaminated areas identified in the earlier reports in the three structures included in the decontamination effort (Eckhart Hall, Ryerson Physical Laboratory, and Jones Chemical Laboratory) were cleaned to levels commensurate with release for unrestricted use
Mechanical stretching of proteins: calmodulin and titin
Cieplak, Marek
2005-07-01
Mechanical unfolding of several domains of calmodulin and titin is studied using a Go-like model with a realistic contact map and Lennard-Jones contact interactions. It is shown that this simple model captures the experimentally observed difference between the two proteins: titin is a spring that is tough and strong whereas calmodulin acts like a weak spring with featureless force-displacement curves. The difference is related to the dominance of the α secondary structures in the native structure of calmodulin. The tandem arrangements of calmodulin unwind simultaneously in each domain whereas the domains in titin unravel in a serial fashion. The sequences of contact events during unravelling are correlated with the contact order, i.e., with the separation between contact making amino acids along the backbone in the native state. Temperature is found to affect stretching in a profound way.
Tests of the Structure-Based Models of Proteins
The structure-based models of proteins are defined through the condition that their ground state coincides with the native structure of the proteins. There are many variants of such models and they yield different properties. Optimal variants can be selected by making comparisons to experimental data on single-molecule stretching. Here, we discuss the 15 best performing variants and focus on fine tuning the selection process by adjusting the velocity of stretching to match the experimental conditions. The very best variant is found to correspond to the 10-12 potential in the native contacts with the energies modulated by the Miyazawa-Jernigan statistical potential and variable length parameters. The second best model incorporates the Lennard-Jones potential with uniform amplitudes. We then make a detailed comparison of the two models in which theoretical surveys of stretching properties of 7510 proteins were made previously. (authors)
... Text Size: A A A Listen En Español Protein Foods Foods high in protein such as fish, ... the vegetarian proteins, whether they have carbohydrate. Best Protein Choices The best choices are: Plant-based proteins ...
van Westen, Thijs; Oyarzún, Bernardo; Vlugt, Thijs J H; Gross, Joachim
2015-06-28
We develop an equation of state (EoS) for describing isotropic-nematic (IN) phase equilibria of Lennard-Jones (LJ) chain fluids. The EoS is developed by applying a second order Barker-Henderson perturbation theory to a reference fluid of hard chain molecules. The chain molecules consist of tangentially bonded spherical segments and are allowed to be fully flexible, partially flexible (rod-coil), or rigid linear. The hard-chain reference contribution to the EoS is obtained from a Vega-Lago rescaled Onsager theory. For the description of the (attractive) dispersion interactions between molecules, we adopt a segment-segment approach. We show that the perturbation contribution for describing these interactions can be divided into an "isotropic" part, which depends only implicitly on orientational ordering of molecules (through density), and an "anisotropic" part, for which an explicit dependence on orientational ordering is included (through an expansion in the nematic order parameter). The perturbation theory is used to study the effect of chain length, molecular flexibility, and attractive interactions on IN phase equilibria of pure LJ chain fluids. Theoretical results for the IN phase equilibrium of rigid linear LJ 10-mers are compared to results obtained from Monte Carlo simulations in the isobaric-isothermal (NPT) ensemble, and an expanded formulation of the Gibbs-ensemble. Our results show that the anisotropic contribution to the dispersion attractions is irrelevant for LJ chain fluids. Using the isotropic (density-dependent) contribution only (i.e., using a zeroth order expansion of the attractive Helmholtz energy contribution in the nematic order parameter), excellent agreement between theory and simulations is observed. These results suggest that an EoS contribution for describing the attractive part of the dispersion interactions in real LCs can be obtained from conventional theoretical approaches designed for isotropic fluids, such as a Perturbed
Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Koga, Kenichiro
2016-06-01
In the conventional classical density functional theory (DFT) for simple fluids, an ideal gas is usually chosen as the reference system because there is a one-to-one correspondence between the external field and the density distribution function, and the exact intrinsic free-energy functional is available for the ideal gas. In this case, the second-order density functional Taylor series expansion of the excess intrinsic free-energy functional provides the hypernetted-chain (HNC) approximation. Recently, it has been shown that the HNC approximation significantly overestimates the solvation free energy (SFE) for an infinitely dilute Lennard-Jones (LJ) solution, especially when the solute particles are several times larger than the solvent particles [T. Miyata and J. Thapa, Chem. Phys. Lett. 604, 122 (2014)]. In the present study, we propose a reference-modified density functional theory as a systematic approach to improve the SFE functional as well as the pair distribution functions. The second-order density functional Taylor series expansion for the excess part of the intrinsic free-energy functional in which a hard-sphere fluid is introduced as the reference system instead of an ideal gas is applied to the LJ pure and infinitely dilute solution systems and is proved to remarkably improve the drawbacks of the HNC approximation. Furthermore, the third-order density functional expansion approximation in which a factorization approximation is applied to the triplet direct correlation function is examined for the LJ systems. We also show that the third-order contribution can yield further refinements for both the pair distribution function and the excess chemical potential for the pure LJ liquids.
A classical molecular dynamics simulation was conducted for a system composed of fluid molecules between two planar solid surfaces, and whose interactions are described by the 12-6 Lennard-Jones form. This paper presents a general description of the pressure components and interfacial tension at a fluid-solid interface obtained by the perturbative method on the basis of statistical thermodynamics, proposes a method to consider the pressure components tangential to an interface which are affected by interactions with solid atoms, and applies this method to the calculation system. The description of the perturbative method is extended to subsystems, and the local pressure components and interfacial tension at a liquid-solid interface are obtained and examined in one- and two-dimensions. The results are compared with those obtained by two alternative methods: (a) an evaluation of the intermolecular force acting on a plane, and (b) the conventional method based on the virial expression. The accuracy of the numerical results is examined through the comparison of the results obtained by each method. The calculated local pressure components and interfacial tension of the fluid at a liquid-solid interface agreed well with the results of the two alternative methods at each local position in one dimension. In two dimensions, the results showed a characteristic profile of the tangential pressure component which depended on the direction tangential to the liquid-solid interface, which agreed with that obtained by the evaluation of the intermolecular force acting on a plane in the present study. Such good agreement suggests that the perturbative method on the basis of statistical thermodynamics used in this study is valid to obtain the local pressure components and interfacial tension at a liquid-solid interface