Thermochemistry of uranium compounds V. Standard enthalpies of formation of the monouranates of lithium,potassium, and rubidium

Enthalpies of reaction, ΔH_r, of the monouranates of lithium, potassium, and rubidium with 1 mol dm^?3 HCl have been measured calorimetrically. From these measurements, and auxiliary determinations of the enthalpies of solution in acid of the chlorides of lithium, potassium, and rubidium and of uranyl chloride, the standard enthalpies of formation of the uranates, ΔH_f^o, have been derived. The results obtained are as follows:

     

112.

Large faces in 4-critical planar graphs with minimum degree 4     

H. L. Abbott  D. R. Hare  B. Zhou 《Combinatorica》1995,15(4):455-467

We prove that the size of the largest face of a 4-critical planar graph with 4 is at most one half the number of its vertices. Letf(n) denote the maximum of the sizes of largest faces of all such graphs withn vertices (n sufficiently large). We present an infinite family of graphs that shows .All three authors gratefully acknowledge the support of the National Science and Engineering Research Council of Canada.     

113.

Curvature driven transport of mouse macrophages in a pulsating magnetic garnet film ratchet     

Dhar P  Tierno P  Hare J  Johansen TH  Fischer TM 《The journal of physical chemistry. B》2007,111(45):13097-13100

Magnetic fields varying on the colloidal length scale are used for the directed transport of magnetically labeled biological cells. The transport is achieved by using the ratchet effect which relies on an asymmetric, symmetry broken periodic potential where nonequilibrium fluctuations or oscillations generate a net cell current. Ferrofluid ingested mouse macrophages were placed on a magnetic garnet film with alternating stripe domain patterns, and a pulsating magnetic potential is provided by superposing an oscillating magnetic field normal to the film. The symmetry of the resulting periodic stripe potential is broken locally by the curvature of the stripes. We show, both experimentally and theoretically, the curvature of such stripes required for inducing directed transport of the macrophages in the ratchet. This may be useful for microfluidic devices such as a digital colloidal shift register for magnetically labeled biological cells.     

114.

Accurate predictions of crystal densities using quantum mechanical molecular volumes   总被引：4，自引：0，他引：4  

Rice BM  Hare JJ  Byrd EF 《The journal of physical chemistry. A》2007,111(42):10874-10879

A quantum mechanically based procedure for estimation of crystal densities of neutral and ionic crystals is presented. In this method, volumes within 0.001 electrons/bohr3 isosurfaces of electron density for the constituent isolated neutral and ionic molecules are calculated to define the molecular volume or formula unit volumes used in predicting the crystal density. The B3LYP density functional theory in conjunction with the 6-31G** basis set were employed to generate the electron densities. The suitability of this method of crystal density prediction was assessed by subjecting a large number (289) of molecular and ionic crystals to the procedure and comparing results with experimental information. The results indicate that, for neutral molecular crystals, the root-mean-square (rms) deviation from experiment is within 4%, whereas the rms deviation is somewhat larger for the 71 ionic crystals evaluated (within 5%).     

115.

Improved measurement of the positive-muon lifetime and determination of the Fermi constant     

Chitwood DB  Banks TI  Barnes MJ  Battu S  Carey RM  Cheekatmalla S  Clayton SM  Crnkovic J  Crowe KM  Debevec PT  Dhamija S  Earle W  Gafarov A  Giovanetti K  Gorringe TP  Gray FE  Hance M  Hertzog DW  Hare MF  Kammel P  Kiburg B  Kunkle J  Lauss B  Logashenko I  Lynch KR  McNabb R  Miller JP  Mulhauser F  Onderwater CJ  Ozben CS  Peng Q  Polly CC  Rath S  Roberts BL  Tishchenko V  Wait GD  Wasserman J  Webber DM  Winter P  Zołnierczuk PA;MuLan Collaboration 《Physical review letters》2007,99(3):032001

The mean life of the positive muon has been measured to a precision of 11 ppm using a low-energy, pulsed muon beam stopped in a ferromagnetic target, which was surrounded by a scintillator detector array. The result, tau(micro)=2.197 013(24) micros, is in excellent agreement with the previous world average. The new world average tau(micro)=2.197 019(21) micros determines the Fermi constant G(F)=1.166 371(6)x10(-5) GeV-2 (5 ppm). Additionally, the precision measurement of the positive-muon lifetime is needed to determine the nucleon pseudoscalar coupling g(P).     

116.

Vapour-diffusion assisted growth of oriented et-cobalt hydroxide thin films     

Yi Du  Dermot  O＇Hare 《Particuology》2010,8(3):188-191

Layered α-cobalt hydroxides Co（OH1.65 Cl0.35.0.5H2O （1）, Co（OH）1.75（NO3）0.25.0.1H2O（2） with unique macro- and microscale morphologies have been synthesised by a low temperature, ammonia-controlled vapour-diffusion method. The materials have thin film morphologies and were characterized by X-ray powder diffraction （XRD） and field emission scanning electron microscopy （FESEM）.     

117.

Fekete-like polynomials     

Kevin G. Hare  Soroosh Yazdani 《Journal of Number Theory》2010,130(10):2198-2213

In 2001, Borwein, Choi, and Yazdani looked at an extremal property of a class of polynomial with ±1 coefficients. Their key result was:

Theorem. (See Borwein, Choi, Yazdani, 2001.) Letf(z)=±z±z²±?±zN−1, and ζ a primitive Nth root of unity. If N is an odd positive integer then

     

118.

Designing Modular Software: A Case Study in Introductory Statistics     

Eric Hare  Andee Kaplan 《Journal of computational and graphical statistics》2017,26(3):493-500

Modular programming is a development paradigm that emphasizes self-contained, flexible, and independent pieces of functionality. This practice allows new features to be seamlessly added when desired, and unwanted features to be removed, thus simplifying the software's user interface. The recent rise of web-based software applications has presented new challenges for designing an extensible, modular software system. In this article, we outline a framework for designing such a system, with a focus on reproducibility of the results. We present as a case study a Shiny-based web application called intRo, that allows the user to perform basic data analyses and statistical routines. Finally, we highlight some challenges we encountered, and how to address them, when combining modular programming concepts with reactive programming as used by Shiny. Supplementary material for this article is available online.     

119.

Visualization of the $$\varepsilon $$-subdifferential of piecewise linear–quadratic functions     

Anuj Bajaj  Warren Hare  Yves Lucet 《Computational Optimization and Applications》2017,67(2):421-442

Computing explicitly the \(\varepsilon \)-subdifferential of a proper function amounts to computing the level set of a convex function namely the conjugate minus a linear function. The resulting theoretical algorithm is applied to the the class of (convex univariate) piecewise linear–quadratic functions for which existing numerical libraries allow practical computations. We visualize the results in a primal, dual, and subdifferential views through several numerical examples. We also provide a visualization of the Brøndsted–Rockafellar theorem.     

120.

On progressively first failure censored Lindley distribution     

Madhulika Dube  Renu Garg  Hare Krishna 《Computational Statistics》2016,31(1):139-163

This article deals with the progressively first failure censored Lindley distribution. Maximum likelihood and Bayes estimators of the parameter and reliability characteristics of Lindley distribution based on progressively first failure censored samples are derived. Asymptotic confidence intervals based on observed Fisher information and bootstrap confidence intervals of the parameter are constructed. Bayes estimators using non-informative and gamma informative priors are derived using importance sampling procedure and Metropolis–Hastings (MH) algorithm under squared error loss function. Also, HPD credible intervals based on importance sampling procedure and MH algorithm for the parameter are constructed. To study the performance of various estimators discussed in this article, a Monte Carlo simulation study is conducted. Finally, a real data set is studied for illustration purposes.     

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	$\text{ΔH}{}_{\mathrm{r}}\text{/kcal}{}_{\mathrm{th}}\text{mol}{}^{\mathrm{?1}}$	$\text{ΔH}{}_{\mathrm{f}}{}^{\mathrm{o}}\text{(c, 298.15 K)/kcal}{}_{\mathrm{th}}\text{mol}{}^{\mathrm{?1}}$
α-Li2UO4	?(41.77±0.02)	?(463.31±0.84)
K2UO4	?(42.07±0.05)	?(451.39±0.83)
Rb2UO4	?(41.30±0.05)	?(452.00±0.85)

Large faces in 4-critical planar graphs with minimum degree 4

We prove that the size of the largest face of a 4-critical planar graph with 4 is at most one half the number of its vertices. Letf(n) denote the maximum of the sizes of largest faces of all such graphs withn vertices (n sufficiently large). We present an infinite family of graphs that shows .All three authors gratefully acknowledge the support of the National Science and Engineering Research Council of Canada.     

Curvature driven transport of mouse macrophages in a pulsating magnetic garnet film ratchet

Magnetic fields varying on the colloidal length scale are used for the directed transport of magnetically labeled biological cells. The transport is achieved by using the ratchet effect which relies on an asymmetric, symmetry broken periodic potential where nonequilibrium fluctuations or oscillations generate a net cell current. Ferrofluid ingested mouse macrophages were placed on a magnetic garnet film with alternating stripe domain patterns, and a pulsating magnetic potential is provided by superposing an oscillating magnetic field normal to the film. The symmetry of the resulting periodic stripe potential is broken locally by the curvature of the stripes. We show, both experimentally and theoretically, the curvature of such stripes required for inducing directed transport of the macrophages in the ratchet. This may be useful for microfluidic devices such as a digital colloidal shift register for magnetically labeled biological cells.     

Accurate predictions of crystal densities using quantum mechanical molecular volumes

A quantum mechanically based procedure for estimation of crystal densities of neutral and ionic crystals is presented. In this method, volumes within 0.001 electrons/bohr3 isosurfaces of electron density for the constituent isolated neutral and ionic molecules are calculated to define the molecular volume or formula unit volumes used in predicting the crystal density. The B3LYP density functional theory in conjunction with the 6-31G** basis set were employed to generate the electron densities. The suitability of this method of crystal density prediction was assessed by subjecting a large number (289) of molecular and ionic crystals to the procedure and comparing results with experimental information. The results indicate that, for neutral molecular crystals, the root-mean-square (rms) deviation from experiment is within 4%, whereas the rms deviation is somewhat larger for the 71 ionic crystals evaluated (within 5%).     

Improved measurement of the positive-muon lifetime and determination of the Fermi constant

The mean life of the positive muon has been measured to a precision of 11 ppm using a low-energy, pulsed muon beam stopped in a ferromagnetic target, which was surrounded by a scintillator detector array. The result, tau(micro)=2.197 013(24) micros, is in excellent agreement with the previous world average. The new world average tau(micro)=2.197 019(21) micros determines the Fermi constant G(F)=1.166 371(6)x10(-5) GeV-2 (5 ppm). Additionally, the precision measurement of the positive-muon lifetime is needed to determine the nucleon pseudoscalar coupling g(P).     

Vapour-diffusion assisted growth of oriented et-cobalt hydroxide thin films

Layered α-cobalt hydroxides Co（OH1.65 Cl0.35.0.5H2O （1）, Co（OH）1.75（NO3）0.25.0.1H2O（2） with unique macro- and microscale morphologies have been synthesised by a low temperature, ammonia-controlled vapour-diffusion method. The materials have thin film morphologies and were characterized by X-ray powder diffraction （XRD） and field emission scanning electron microscopy （FESEM）.     

Fekete-like polynomials

In 2001, Borwein, Choi, and Yazdani looked at an extremal property of a class of polynomial with ±1 coefficients. Their key result was:

Theorem. (See Borwein, Choi, Yazdani, 2001.) Letf(z)=±z±z²±?±zN−1, and ζ a primitive Nth root of unity. If N is an odd positive integer then

     

Designing Modular Software: A Case Study in Introductory Statistics

Modular programming is a development paradigm that emphasizes self-contained, flexible, and independent pieces of functionality. This practice allows new features to be seamlessly added when desired, and unwanted features to be removed, thus simplifying the software's user interface. The recent rise of web-based software applications has presented new challenges for designing an extensible, modular software system. In this article, we outline a framework for designing such a system, with a focus on reproducibility of the results. We present as a case study a Shiny-based web application called intRo, that allows the user to perform basic data analyses and statistical routines. Finally, we highlight some challenges we encountered, and how to address them, when combining modular programming concepts with reactive programming as used by Shiny. Supplementary material for this article is available online.     

Visualization of the $$\varepsilon $$-subdifferential of piecewise linear–quadratic functions

Computing explicitly the \(\varepsilon \)-subdifferential of a proper function amounts to computing the level set of a convex function namely the conjugate minus a linear function. The resulting theoretical algorithm is applied to the the class of (convex univariate) piecewise linear–quadratic functions for which existing numerical libraries allow practical computations. We visualize the results in a primal, dual, and subdifferential views through several numerical examples. We also provide a visualization of the Brøndsted–Rockafellar theorem.     

On progressively first failure censored Lindley distribution

This article deals with the progressively first failure censored Lindley distribution. Maximum likelihood and Bayes estimators of the parameter and reliability characteristics of Lindley distribution based on progressively first failure censored samples are derived. Asymptotic confidence intervals based on observed Fisher information and bootstrap confidence intervals of the parameter are constructed. Bayes estimators using non-informative and gamma informative priors are derived using importance sampling procedure and Metropolis–Hastings (MH) algorithm under squared error loss function. Also, HPD credible intervals based on importance sampling procedure and MH algorithm for the parameter are constructed. To study the performance of various estimators discussed in this article, a Monte Carlo simulation study is conducted. Finally, a real data set is studied for illustration purposes.