International Nuclear Information System (INIS)
Cheung, A.S.C.; Yoshino, K.; Parkinson, W.H.; Freeman, D.E.
1985-01-01
The continuum cross section of oxygen at 296-300 K has been measured with a resolution of 0.13 nm throughout the wavelength region 205-241 nm with oxygen pressures from 5 to 760 torr and optical lengths from 13.3 to 133 m. The three processes contributing to the observed cross section are absorption into two continua, viz., the Herzberg continuum of O 2 and a pressure-dependent continuum involving two molecules of O 2 , and Rayleigh scattering. Comparison between different laboratory measurements and in situ stratospheric studies will also be presented. 1 reference
Picconi, David; Grebenshchikov, Sergy Yu.
2018-03-01
This paper opens a series in which the photochemistry of the two lowest πσ* states of pyrrole and their interaction with each other and with the ground electronic state X ˜ are studied using ab initio quantum mechanics. New 24-dimensional potential energy surfaces for the photodissociation of the N-H bond and the formation of the pyrrolyl radical are calculated using the multiconfigurational perturbation theory (CASPT2) for the electronic states X ˜ (π π ) , 11A2(πσ*), and 11B1(πσ*) and locally diabatized. In this paper, the ab initio calculations are described and the photodissociation in the state 11A2(πσ*) is analyzed. The excitation 11 A2←X ˜ is mediated by the coordinate dependent transition dipole moment functions constructed using the Herzberg-Teller expansion. Nuclear dynamics, including 6, 11, and 15 active degrees of freedom, are studied using the multi-configurational time-dependent Hartree method. The focus is on the frequency resolved absorption spectrum as well as on the dissociation time scales and the resonance lifetimes. Calculations are compared with available experimental data. An approximate convolution method is developed and validated, with which absorption spectra can be calculated and assigned in terms of vibrational quantum numbers. The method represents the total absorption spectrum as a convolution of the diffuse spectrum of the detaching H-atom and the Franck-Condon spectrum of the heteroaromatic ring. Convolution calculation requires a minimal quantum chemical input and is a promising tool for studying the πσ* photodissociation in model biochromophores.
Photodissociation of ultracold diatomic strontium molecules with quantum state control.
McDonald, M; McGuyer, B H; Apfelbeck, F; Lee, C-H; Majewska, I; Moszynski, R; Zelevinsky, T
2016-07-07
Chemical reactions at ultracold temperatures are expected to be dominated by quantum mechanical effects. Although progress towards ultracold chemistry has been made through atomic photoassociation, Feshbach resonances and bimolecular collisions, these approaches have been limited by imperfect quantum state selectivity. In particular, attaining complete control of the ground or excited continuum quantum states has remained a challenge. Here we achieve this control using photodissociation, an approach that encodes a wealth of information in the angular distribution of outgoing fragments. By photodissociating ultracold (88)Sr2 molecules with full control of the low-energy continuum, we access the quantum regime of ultracold chemistry, observing resonant and nonresonant barrier tunnelling, matter-wave interference of reaction products and forbidden reaction pathways. Our results illustrate the failure of the traditional quasiclassical model of photodissociation and instead are accurately described by a quantum mechanical model. The experimental ability to produce well-defined quantum continuum states at low energies will enable high-precision studies of long-range molecular potentials for which accurate quantum chemistry models are unavailable, and may serve as a source of entangled states and coherent matter waves for a wide range of experiments in quantum optics.
Gerhard Herzberg an illustrious life in science
Stoicheff, Boris
2002-01-01
Gerhard Herzberg (1904-1999) was one of the greatest scientists of the last century. Born and educated in Germany, he started his research just as the exciting discovery of quantum mechanics began unraveling the mysteries of the microscopic world. Herzberg chose to study spectroscopy, the light emitted and absorbed by atoms and molecules, which has played a central role in the development of modern science.
A Challenge to the Conventional Wisdom of Herzberg and Maslow Theories.
Bellott, Fred K.; Tutor, F. Dexter
This document assessment of the basic theories of A. Maslow and F. Herzberg and the populations from which their theories were derived. Herzberg used personal interviews to gather data with which to conduct his studies and to test his theories regarding motivation and job satisfaction. Herzberg identified five factors associated with job…
Putting Herzberg's Two Factor Theory of Motivation in Perspective.
May, Charles R.; Decker, Robert H.
1988-01-01
Explores challenges to Frederick Herzberg's Two Factor Theory of Motivation--a required concept in many administrator preparation programs. Herzberg used modified critical incident (or self-reporting) techniques to illustrate that job satisfaction and dissatisfaction occupied different continua and were not opposed to each other. Criticisms, study…
Herzberg's Theory of Motivation and Maslow's Hierarchy of Needs. ERIC/AE Digest.
Gawel, Joseph E.
Among the behavioral theories embraced by American business are those of Frederick Herzberg and Abraham Maslow. Herzberg proposed a theory about job factors that motivate employees, and Maslow developed a theory about the rank and satisfaction of human needs and how people pursue those needs. This digest briefly outlines both theories and then…
Mathematical formalization of theories of motivation proposed by Maslow and Herzberg
Kotliarov,Ivan
2008-01-01
Maslow's theory is by far the most known theory of motivation, and the most common in the business and management practice. Herzberg's theory fits the observations and explains some aspects of human motivation left unexplained by Maslow. However, these theories have never been formalized on a strictly mathematical basis. The present article gives an outline of a mathematical model of theories of motivation proposed by Abraham Maslow and Frederick Herzberg. This model is built on a basis of sp...
Half collisions by photodissociation
International Nuclear Information System (INIS)
Vries, M.S. de.
1980-01-01
The photodissociation of ICl, IBr and TlBr is studied. In the case of ICl and IBr, experiments are reported at various wavelengths between 480 and 530 nm. For TlBr, photodissociation for a range of wavelengths between 264 and 268 nm is reported. (Auth.)
Fast beam studies of free radical photodissociation
Energy Technology Data Exchange (ETDEWEB)
Neumark, D.M. [Lawrence Berkeley Laboratory, CA (United States)
1993-12-01
The authors have developed a novel technique for studying the photodissociation spectroscopy and dynamics of free radicals. In these experiments, radicals are generated by laser photodetachment of a fast (6-8 keV) mass-selected negative ion beam. The resulting radicals are photodissociated with a second laser, and the photofragments are collected and detected with high efficiency using a microchannel plate detector. The overall process is: ABC{sup -} {yields} ABC + e{sup -} {yields} A + BC, AB + C. Two types of fragment detection schemes are used. To map out the photodissociation cross-section of the radical, the photodissociation laser is scanned and the total photofragment yield is measured as a function of wavelength. In other experiments, the photodissociation frequency is fixed and the photofragment masses, kinetic energy release, and scattering angle is determined for each photodissociation event.
Mathematical formalization of theories of motivation proposed by Maslow and Herzberg
Directory of Open Access Journals (Sweden)
Ivan Kotliarov
2008-12-01
Full Text Available Maslow's theory is by far the most known theory of motivation, and the most common in the business and management practice. Herzberg's theory fits the observations and explains some aspects of human motivation left unexplained by Maslow. However, these theories have never been formalized on a strictly mathematical basis. The present article gives an outline of a mathematical model of theories of motivation proposed by Abraham Maslow and Frederick Herzberg. This model is built on a basis of special non-continuous functions. This description may be a good basis for HR software and may be useful for business and management.
39 The Validity of Herzberg's Dual-Factor Theory on Job Satisfaction ...
African Journals Online (AJOL)
User
2012-01-24
Jan 24, 2012 ... But Herzberg's two-factor theory (also called motivation /Hygiene theory) has been ... democratic process and more importantly, it attracts the right calibre of politicians into ..... Journal of Applied Psychology pp.162. Francis ...
International Nuclear Information System (INIS)
Gay, C. D.; Porter, R. L.; Stancil, P. C.; Abel, N. P.; Ferland, G. J.; Shaw, G.; Van Hoof, P. A. M.; Williams, R. J. R.
2012-01-01
Using ab initio potential curves and dipole transition moments, cross-section calculations were performed for the direct continuum photodissociation of H 2 through the B 1 Σ + u 1 Σ + g (Lyman) and C 1 Π u 1 Σ + g (Werner) transitions. Partial cross-sections were obtained for wavelengths from 100 Å to the dissociation threshold between the upper electronic state and each of the 301 bound rovibrational levels v''J'' within the ground electronic state. The resulting cross-sections are incorporated into three representative classes of interstellar gas models: diffuse clouds, photon-dominated regions, and X-ray-dominated regions (XDRs). The models, which used the CLOUDY plasma/molecular spectra simulation code, demonstrate that direct photodissociation is comparable to fluorescent dissociation (or spontaneous radiative dissociation, the Solomon process) as an H 2 destruction mechanism in intense far-ultraviolet or X-ray-irradiated gas. In particular, changes in H 2 rotational column densities are found to be as large as 20% in the XDR model with the inclusion of direct photodissociation. The photodestruction rate from some high-lying rovibrational levels can be enhanced by pumping from H Lyβ due to a wavelength coincidence with cross-section resonances resulting from quasi-bound levels of the upper electronic states. Given the relatively large size of the photodissociation data set, a strategy is described to create truncated, but reliable, cross-section data consistent with the wavelength resolving power of typical observations.
Applicability of Herzberg's Motivator-Hygiene Theory in Studying Academic Motivation.
Magoon, Robert A.; James, Aaron
1978-01-01
Forty-one community college students were asked to recall one college-related event which made them feel good and one which made them feel bad, and provide additional information about each. Results were analyzed using Herzberg's methods to identify factors related to student motivation, as "satisfiers" or "dissatisfiers" and…
Measuring Adjunct Instructor Job Satisfaction by Using Herzberg's Motivation-Hygiene Theory
Dickens, Durrell
2011-01-01
This study was designed to use Herzberg's motivation-hygiene theory to investigate the different levels of job satisfaction among adjunct college instructors at eight institutions of higher education located in southeast Texas. Differences in job satisfaction were measured by instructor gender, ethnicity, age, teaching experience, type of course…
Ivan Kotliarov
2008-01-01
the present article gives an outline of a mathematical model of theories of motivation proposed by Abraham Maslow and Frederick Herzberg. This model is built on a basis of special non-continuous functions.
Photodissociation and photoionization of organosulfur radicals
International Nuclear Information System (INIS)
Hsu, Chia-Wei.
1994-01-01
The dynamics of S( 3 P 2,1,0 , 1 D 2 ) production from the 193 nm photodissociation of CH 3 SCH 3 , H 2 S and CH 3 SH have been studied using 2 + 1 resonance-enhanced multiphoton ionization (REMPI) techniques. The 193 nm photodissociation cross sections for the formation of S from CH 3 S and HS initially prepared in the photodissociation of CH 3 SCH 3 and H 2 S are estimated to be 1 x 10 -18 and 1.1 x 10 -18 cm 2 , respectively. The dominant product from CH 3 S is S( 1 D), while that from SH is S( 3 P). Possible potential energy surfaces involved in the 193 nm photodissociation of CH 3 S(X) and SH(X) have been also examined. Threshold photoelectron (PE) spectra for SH and CH 3 S formed in the ultraviolet photodissociation of H 2 S and CH 3 SH, respectively, have been measured using the nonresonant two-photon pulsed field ionization (N2P-PFI) technique. The rotationally resolved N2P-PFI-PE spectrum obtained for SH indicates that photoionization dynamics favors the rotational angular momentum change ΔN 2 product 3,2 ) and CH 3 S(X 2 E 3/2 ) are determined to be 84,057.5 ± 3 cm -1 and 74,726 ± 8 cm -1 respectively. The spin-orbit splittings for SH(X 2 product 3/2,1/2 ) and CH 3 S(X 2 E 3/2,1/2 ) are found to be 377 ± 2 and 257 ± 5 cm -1 , respectively, in agreement with previous measurements. The C-S stretching frequency for CH 3 S + (X 3 A 2 ) is 733 ± 5 cm -1 . This study illustrates that the PFI-PE detection method can be a sensitive probe for the nascent internal energy distribution of photoproducts
Photo-dissociation of hydrogen passivated dopants in gallium arsenide
International Nuclear Information System (INIS)
Tong, L.; Larsson, J.A.; Nolan, M.; Murtagh, M.; Greer, J.C.; Barbe, M.; Bailly, F.; Chevallier, J.; Silvestre, F.S.; Loridant-Bernard, D.; Constant, E.; Constant, F.M.
2002-01-01
A theoretical and experimental study of the photo-dissociation mechanisms of hydrogen passivated n- and p-type dopants in gallium arsenide is presented. The photo-induced dissociation of the Si Ga -H complex has been observed for relatively low photon energies (3.48 eV), whereas the photo-dissociation of C As -H is not observed for photon energies up to 5.58 eV. This fundamental difference in the photo-dissociation behavior between the two dopants is explained in terms of the localized excitation energies about the Si-H and C-H bonds
Vector properties in molecular photodissociation
International Nuclear Information System (INIS)
Underwood, J.
1999-12-01
The technique of resonance enhanced multi-photon ionization (REMPI) of atomic and molecular species produced from a photofragmentation event combined with time-of flight (TOF) detection is used to examine scalar and vector properties following photodissociation. This technique is applied to the study of methyl bromide dissociation in a product state specific manner. We report measurements of the angular distributions and kinetic energy releases of the resulting bromine atoms in the ground and first spin-orbit excited state. Additionally we report measurements of the angular distributions and kinetic energy releases of the methyl fragment in the ground vibrational state, and also the excited state with one quanta in the ν 2 vibrational modes. These studies were carried out in the red wing of the absorption band at several wavelengths. For these measurements we were able to resolve the spin orbit state of the partner bromine fragment. From our observations we find new evidence for enhanced nonadiabatic curve crossing active in methyl bromide dissociation in comparison with earlier studies of methyl iodide. The atomic polarization produced following photodissociation of a diatomic molecule was investigated both theoretically and experimentally. We develop theoretical expressions relating the lab frame and molecular frame atomic polarization to the photoexcitation and subsequent dissociation of a diatomic molecule. This treatment includes both incoherent, coherent and non-adiabatic processes which may be active in the photodissociation process. We treat the general case of a polarized diatomic molecule yielding two fragments with non zero angular momentum. Experimentally, an investigation of the polarization of atomic Cl( 2 P 3/2 ) photofragments from the ∼330 nm photolysis of molecular chlorine using the REMPI-TOF technique is reported. We present a theoretical framework in which to treat such experiments allowing the extraction of parameters with direct physical
Photodissociation of HBr/LiF(001) - A quantum mechanical model
Seideman, Tamar
1993-01-01
The photodissociation dynamics of HBr adsorbed on an LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation line shape and the Br(2P(1/2))/Br(2P(3/2)) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. We find the field polarization to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.
Photodissociation of HBr/LiF(001): A quantum mechanical model
Seideman, Tamar
1993-01-01
The photodissociation dynamics of HBr adsorbed on a LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation lineshape and the Br(P(sub 1/2)-2)/Br(P(sub 3/2)-2) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. The field polarization is found to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.
Photodissociation processes in molecular beams
International Nuclear Information System (INIS)
Carlson, L.R.
1979-05-01
A description is presented of a study of the photodissociation dynamics of molecules in a molecular beam. Photo-fragmentation translational spectroscopy has been utilized to observe the photodissociation dynamics of ozone. Using a supersonic molecular beam and a 10 nanosecond pulsed laser at lambda = 266 nm, the velocities of the fragment products are measured by the method of time of flight. The resolution of the time of flight spectrum of ozone is sufficiently high that the electronic and vibrational states are clearly resolved and identified. Above the threshold (lambda 1 D) has been estimated in the past to be unity for the process O 3 ( 1 A 1 ) + hν)lambda 3 ( 1 B 2 ) → O 2 ( 1 Δ/sub g/) + O( 1 D). However a small production of O 2 ( 3 Σ/sub g/ - ) + O( 3 P) has been observed in this study. The O 2 ( 1 Δ/sub g/) product yields four vibrational states (v = 0, 1, 2, 3) which yields a vibrational temperature of 2700 0 K along with narrow energy distributions of rotational levels. These energy distributions are compared with photodissociation models along with the polarization dependence of the dissociative process which was also measured. 143 references
Photodissociation processes in molecular beams
Energy Technology Data Exchange (ETDEWEB)
Carlson, L.R.
1979-05-01
A description is presented of a study of the photodissociation dynamics of molecules in a molecular beam. Photo-fragmentation translational spectroscopy has been utilized to observe the photodissociation dynamics of ozone. Using a supersonic molecular beam and a 10 nanosecond pulsed laser at lambda = 266 nm, the velocities of the fragment products are measured by the method of time of flight. The resolution of the time of flight spectrum of ozone is sufficiently high that the electronic and vibrational states are clearly resolved and identified. Above the threshold (lambda < 310 nm), the quantum yield for the production of O(/sup 1/D) has been estimated in the past to be unity for the process O/sub 3/ (/sup 1/A/sub 1/) + h..nu..)lambda < 300 nm) ..-->.. O/sub 3/(/sup 1/B/sub 2/) ..-->.. O/sub 2/(/sup 1/..delta../sub g/) + O(/sup 1/D). However a small production of O/sub 2/ (/sup 3/..sigma../sub g//sup -/) + O(/sup 3/P) has been observed in this study. The O/sub 2/(/sup 1/..delta../sub g/) product yields four vibrational states (v = 0, 1, 2, 3) which yields a vibrational temperature of 2700/sup 0/K along with narrow energy distributions of rotational levels. These energy distributions are compared with photodissociation models along with the polarization dependence of the dissociative process which was also measured. 143 references.
Three-dimensional photodissociation in strong laser fields: Memory-kernel effective-mode expansion
International Nuclear Information System (INIS)
Li Xuan; Thanopulos, Ioannis; Shapiro, Moshe
2011-01-01
We introduce a method for the efficient computation of non-Markovian quantum dynamics for strong (and time-dependent) system-bath interactions. The past history of the system dynamics is incorporated by expanding the memory kernel in exponential functions thereby transforming in an exact fashion the non-Markovian integrodifferential equations into a (larger) set of ''effective modes'' differential equations (EMDE). We have devised a method which easily diagonalizes the EMDE, thereby allowing for the efficient construction of an adiabatic basis and the fast propagation of the EMDE in time. We have applied this method to three-dimensional photodissociation of the H 2 + molecule by strong laser fields. Our calculations properly include resonance-Raman scattering via the continuum, resulting in extensive rotational and vibrational excitations. The calculated final kinetic and angular distribution of the photofragments are in overall excellent agreement with experiments, both when transform-limited pulses and when chirped pulses are used.
Photodissociation of CS from Excited Rovibrational Levels
Pattillo, R. J.; Cieszewski, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.; McCann, J. F.; McLaughlin, B. M.
2018-05-01
Accurate photodissociation cross sections have been computed for transitions from the X 1Σ+ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X 1Σ+ state and for photon wavelengths ranging from 500 Å to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.
Examining Herzberg's Theory: Improving Job Satisfaction among Non-Academic Employees at a University
Smerek, Ryan E.; Peterson, Marvin
2007-01-01
This study reports the results of a survey of 2700 employees in business operations at a large public, research university. The analysis tests Herzberg et al.'s ("1959") well-known, duality theory of motivators and hygiene factors and the impact of personal characteristics and job characteristics on perceptions of the work environment and job…
Houben, Georg
2018-05-01
The publication "The water supply of some North Sea spas" by Alexander Herzberg in 1901 is a cornerstone of coastal groundwater research. It was fundamental to the development of the Ghijben-Herzberg principle, which describes the hydrostatic equilibrium between fresh and saline groundwater. Due to its age and the language barrier, the paper is often cited but probably rarely read. Therefore, the original paper has been translated from German into English, accompanied by an introduction and notes explaining the historical context.
Photodissociation dynamics and spectroscopy of free radical combustion intermediates
Energy Technology Data Exchange (ETDEWEB)
Osborn, David Lewis [Univ. of California, Berkeley, CA (United States)
1996-12-01
The photodissociation spectroscopy and dynamics of free radicals is studied by the technique of fast beam photofragment translational spectroscopy. Photodetachment of internally cold, mass-selected negative ions produces a clean source of radicals, which are subsequently dissociated and detected. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states of the radical. In addition, the photodissociation dynamics, product branching ratios, and bond energies are probed at fixed photon energies by measuring the translational energy, P(E_{T}), and angular distribution of the recoiling fragments using a time- and position-sensitive detector. Ab initio calculations are combined with dynamical and statistical models to interpret the observed data. The photodissociation of three prototypical hydrocarbon combustion intermediates forms the core of this work.
Single photon excimer laser photodissociation of highly vibrationally excited polyatomic molecules
International Nuclear Information System (INIS)
Tiee, J.J.; Wampler, F.B.; Rice, W.W.
1980-01-01
The ir + uv photodissociation of SF 6 has been performed using CO 2 and ArF lasers. The two-color photolysis significantly enhances the photodissociation process over ArF irradiation alone and is found to preserve the initial isotopic specificity of the ir excitation process
Discrete variable theory of triatomic photodissociation
International Nuclear Information System (INIS)
Heather, R.W.; Light, J.C.
1983-01-01
The coupled equations describing the photodissociation process are expressed in the discrete variable representation (DVR) in which the coupled equations are labeled by quadrature points rather than by internal basis functions. A large reduction in the dimensionality of the coupled equations can be realized since the spatially localized bound state nuclear wave function vanishes at most of the quadrature points, making only certain orientations of the fragments important in the region of strong interaction (small separation). The discrete variable theory of photodissociation is applied to the model dissociation of bent HCN in which the CN fragment is treated as a rigid rotor. The truncated DVR rotational distributions are compared with the exact close coupled rotational distributions, and excellent agreement with greatly reduced dimensionality of the equations is found
DeShields, Oscar W., Jr.; Kara, Ali; Kaynak, Erdener
2005-01-01
Purpose: This paper focuses on the determinants of student satisfaction and retention in a college or university that are assumed to impact students' college experience. Design/methodology/approach: Using empirical data and Herzberg's two-factor theory, a modified version of the questionnaire developed by Keaveney and Young was administered to…
Photodissociation of the OD radical at 226 and 243 nm
International Nuclear Information System (INIS)
Radenovic, Dragana C.; Roij, Andre J.A. van; Chestakov, Dmitri A.; Eppink, Andre T.J.B.; Meulen, J.J. ter; Parker, David H.; Loo, Mark P.J. van der; Groenenboom, Gerrit C.; Greenslade, Margaret E.; Lester, Marsha I.
2003-01-01
The photodissociation dynamics of state selected OD radicals has been examined at 243 and 226 nm using velocity map imaging to probe the angle-speed distributions of the D( 2 S) and O( 3 P 2 ) products. Both experiment and complementary first principle calculations demonstrate that photodissociation occurs by promotion of OD from high vibrational levels of the ground X 2 Π state to the repulsive 1 2 Σ - state
TD-DFT Insight into Photodissociation of Co-C Bond in Coenzyme B12
Directory of Open Access Journals (Sweden)
Pawel Michal Kozlowski
2014-02-01
Full Text Available Coenzyme B12 (AdoCbl is one of the most biologically active forms of vitamin B12, and continues to be a topic of active research interest. The mechanism of Co-C bond cleavage in AdoCbl, and the corresponding enzymatic reactions are however, not well understood at the molecular level. In this work, time-dependent density functional theory (TD-DFT has been applied to investigate the photodissociation of coenzyme B12. To reduce computational cost, while retaining the major spectroscopic features of AdoCbl, a truncated model based on ribosylcobalamin (RibCbl was used to simulate Co-C photodissociation. Equilibrium geometries of RibCbl were obtained by optimization at the DFT/BP86/TZVP level of theory, and low-lying excited states were calculated by TD-DFT using the same functional and basis set. The calculated singlet states, and absorption spectra were simulated in both the gas phase, and water, using the polarizable continuum model (PCM. Both spectra were in reasonable agreement with experimental data, and potential energy curves based on vertical excitations were plotted to explore the nature of Co-C bond dissociation. It was found that a repulsive 3(σCo-C → σ*Co-C triplet state became dissociative at large Co-C bond distance, similar to a previous observation for methylcobalamin (MeCbl. Furthermore, potential energy surfaces (PESs obtained as a function of both Co-CRib and Co-NIm distances, identify the S1 state as a key intermediate generated during photoexcitation of RibCbl, attributed to a mixture of a MLCT (metal-to-ligand charge transfer and a σ bonding-ligand charge transfer (SBLCT states.
The photodissociation and reaction dynamics of vibrationally excited molecules
Energy Technology Data Exchange (ETDEWEB)
Crim, F.F. [Univ. of Wisconsin, Madison (United States)
1993-12-01
This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.
The role of water-vapour photodissociation on the formation of a deep minimum in mesopause ozone
Directory of Open Access Journals (Sweden)
I. M. Vardavas
1998-02-01
Full Text Available A one-dimensional atmospheric photochemical model with an altitude grid of about 1.5 km was used to examine the structure of the global mean vertical ozone profile and its night-time-to-daytime variation in the upper atmosphere. Two distinct ozone layers are predicted, separated by a sharp drop in the ozone concentration near the mesopause. This naturally occurring mesopause ozone deep minimum is primarily produced by the rapid increase in the destruction of water vapour, and hence increase in HOx, at altitudes between 80 and 85 km, a region where water-vapour photodissociation by ultraviolet radiation of the solar Lyman-alpha line is significant, and where the supply of water vapour is maintained by methane oxidation even for very dry conditions at the tropospheric-stratospheric exchange region. The model indicates that the depth of the mesopause ozone minimum is limited by the efficiency with which inactive molecular hydrogen is produced, either by the conversion of atomic hydrogen to molecular hydrogen via one of the reaction channels of H with HO2, or by Lyman-alpha photodissociation of water vapour via the channel that leads to the production of molecular hydrogen. The ozone concentration rapidly recovers above 85 km due to the rapid increase in O produced by the photodissociation of O2 by absorption of ultraviolet solar radiation in the Schumann-Runge bands and continuum. Above 90 km, there is a decrease in ozone due to photolysis as the production of ozone through the three-body recombination of O2 and O becomes slower with decreasing pressure. The model also predicts two peaks in the night-time/daytime ozone ratio, one near 75 km and the other near 110 km, plus a strong peak in the night-time/daytime ratio of OH near 110 km. Recent observational evidence supports the predictions of the model.Key words. Atmospheric composition and structure · Middle atmosphere · Thermosphere · Transmission and scattering of radiation
High power atomic iodine photodissociation lasers
International Nuclear Information System (INIS)
Palmer, R.E.; Padrick, T.D.; Jones, E.D.
1976-01-01
The atomic iodine photodissociation laser has developed into a system capable of producing nanosecond or shorter pulses of near infrared radiation with energies well in excess of a hundred J. Discussed are the operating characteristics, advantages, and potential problem areas associated with this laser
Byrne, Michael
2006-01-01
Given that they create what it sells, employees are the Irish Health service's most valuable asset. They are increasingly being asked to embrace change on many different levels. In order to facilitate this process, it behooves management to actively promote employee motivation. Herzberg et al's "motivation-hygiene" theory of motivation proposes that certain "motivator" and "hygiene" factors can respectively affect job satisfaction and dissatisfaction. Considering "motivators," better on-the-job performance may increase motivation. However, work overload can become a dissatisfier. Devolving equal levels of authority and responsibility and providing appropriate recognition may also serve to motivate. Likewise, providing opportunities for promotion and personal growth may maintain motivation, as might re-engineering of jobs so that work remains meaningful. Over time both salary and incentives may come to be viewed as entitlements and lose their ability to motivate. Other "hygiene" factors such as organizational policy and administrative structure, relations with others, job insecurity, physical working conditions, and quality of supervision can lead to job dissatisfaction. Hence, the theory of Herzberg et al usefully highlights many factors that may serve to motivate or demotivate employees. However, this theory does not reflect some of the realities of the modern health care work environment.
Freeman, Walter J.
A study examined the organizational factors contributing to the motivation of 4-H volunteer leaders. A modified form of Herzberg's Motivation-Hygiene Theory served as the research design of the study. A total of 149 4-H leaders were interviewed regarding thirteen job factors: recognition; personal growth; relationships with other 4-H leaders,…
Costello, Rebecca; Welch, S. A.
2014-01-01
This article describes a qualitative approach in understanding factors that are evident in effective online class communities. Instructors and students in the same class were asked about their perceptions regarding what constitutes an effective online experience. The analysis was done using both Herzberg's (1962, 1965) motivator-hygiene factors…
THE PHOTODISSOCIATION OF FORMALDEHYDE IN COMETS
Energy Technology Data Exchange (ETDEWEB)
Feldman, Paul D., E-mail: pfeldman@jhu.edu [Department of Physics and Astronomy, The Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD 21218 (United States)
2015-10-20
Observations of comets in the 905–1180 Å spectral band made with the Far Ultraviolet Spectroscopic Explorer in 2001 and 2004 show unusual features in the fluorescent emissions of CO and H{sub 2}. These include emission from a non-thermal high-J rotational population of CO and solar Lyα induced fluorescence from excited vibrational levels of H{sub 2}, both of which are attributed to the photodissociation of formaldehyde. In this paper we model the large number of observed H{sub 2} lines and demonstrate the dependence of the pumping on the heliocentric velocity of the comet and the solar line profiles. We also derive the rotational and vibrational populations of H{sub 2} and show that they are consistent with the results of laboratory studies of the photodissociation of H{sub 2}CO. In addition to the principal series of H i and O i, the residual spectrum is found to consist mainly of the Rydberg series of C i multiplets from which we derive the mean carbon column abundance in the coma. Fluorescent emissions from N i and N{sub 2} are also searched for.
Isotope separation by selective photodissociation of glyoxal
International Nuclear Information System (INIS)
Marling, J.B.
1976-01-01
Dissociation products, mainly formaldehyde and carbon monoxide, enriched in a desired isotope of carbon, oxygen, or hydrogen are obtained by the selective photodissociation of glyoxal wherein glyoxal is subjected to electromagnetic radiation in a predetermined wavelength such that photon absorption excites and induces dissociation of only those molecules of glyoxal containing the desired isotope
International Nuclear Information System (INIS)
Nahon, Laurent
1991-01-01
This research thesis reports the combined use of a laser and of a synchrotron radiation in order to respectively photo-dissociate a molecule and to photo-ionize fragments which are analysed by photo-electron spectroscopy. This association allows, on the one hand, radical photo-ionization to be studied, and, on the other hand, polyatomic molecule photo-dissociation to be studied. The author studied the photo-excitation and/or photo-ionization in layer 4d (resp. 3d) of atomic iodine (resp. bromine) produced almost complete laser photo-dissociation of I_2 (resp. Br_2). He discuses the processes of relaxation of transitions from valence 4d to 5p (resp. 3d to 4p) which occur either by direct self-ionization or by resonant Auger effect, and reports the study of photo-dissociation of s-tetrazine (C_2N_4H_2) [fr
Photodissociation spectroscopy of the Mg+-acetic acid complex
Abate, Yohannes; Kleiber, P. D.
2006-11-01
We have studied the structure and photodissociation of Mg+-acetic acid clusters. Ab initio calculations suggest four relatively strongly bound ground state isomers for the [MgC2H4O2]+ complex. These isomers include the cis and trans forms of the Mg+-acetic acid association complex with Mg+ bonded to the carbonyl O atom of acetic acid, the Mg+-acetic acid association complex with Mg+ bonded to the hydroxyl O atom of acetic acid, or to a Mg+-ethenediol association complex. Photodissociation through the Mg+-based 3p←3s absorption bands in the near UV leads to direct (nonreactive) and reactive dissociation products: Mg+, MgOH+, Mg(H2O )+, CH3CO+, and MgCH3+. At low energies the dominant reactive quenching pathway is through dehydration to Mg(H2O)+, but additional reaction channels involving C-H and C-C bond activation are also open at higher energies.
Energy Technology Data Exchange (ETDEWEB)
Aguado, Alfredo [Departamento de Química Física Aplicada (UAM), Unidad Asociada a IFF-CSIC, Facultad de Ciencias Módulo 14, Universidad Autónoma de Madrid, E-28049, Madrid (Spain); Roncero, Octavio; Zanchet, Alexandre [Instituto de Física Fundamental (IFF-CSIC), C.S.I.C., Serrano 123, E-28006 Madrid (Spain); Agúndez, Marcelino; Cernicharo, José, E-mail: octavio.roncero@csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, C/ Sor Juana Inés de la Cruz 3, Cantoblanco E-28049 (Spain)
2017-03-20
The impact of the photodissociation of HCN and HNC isomers is analyzed in different astrophysical environments. For this purpose, the individual photodissociation cross sections of HCN and HNC isomers have been calculated in the 7–13.6 eV photon energy range for a temperature of 10 K. These calculations are based on the ab initio calculation of three-dimensional adiabatic potential energy surfaces of the 21 lower electronic states. The cross sections are then obtained using a quantum wave packet calculation of the rotational transitions needed to simulate a rotational temperature of 10 K. The cross section calculated for HCN shows significant differences with respect to the experimental one, and this is attributed to the need to consider non-adiabatic transitions. Ratios between the photodissociation rates of HCN and HNC under different ultraviolet radiation fields have been computed by renormalizing the rates to the experimental value. It is found that HNC is photodissociated faster than HCN by a factor of 2.2 for the local interstellar radiation field and 9.2 for the solar radiation field, at 1 au. We conclude that to properly describe the HNC/HCN abundance ratio in astronomical environments illuminated by an intense ultraviolet radiation field, it is necessary to use different photodissociation rates for each of the two isomers, which are obtained by integrating the product of the photodissociation cross sections and ultraviolet radiation field over the relevant wavelength range.
Intracluster superelastic scattering via sequential photodissociation in small HI clusters
International Nuclear Information System (INIS)
Chastaing, D.; Underwood, J.; Wittig, C.
2003-01-01
The photodissociation of expansion-cooled HI monomer by using 266 nm radiation yields H atoms having 12 830 and 5287 cm-1 of translational energy in the HI center-of-mass system for the I( 2 P 3/2 ) and I( 2 P 1/2 ) (i.e., I and I * , respectively) co-fragments. Irradiating HI clusters [i.e., (HI) n , with n=2 being the dominant cluster] with 266 nm radiation produces, among other things, some H atoms whose translational energies are peaked at 20 285 cm-1, which is 7455 cm-1 higher in energy than the more energetic of the monomer peaks. These very fast H atoms arise from sequential photodissociation within the clusters. Namely, a weakly bound I*·(HI) n-1 complex is first created by the photodissociation of an HI moiety within (HI) n , and then the photodissociation of a second HI moiety [within I*·(HI) n-1 ] produces a fast H atom that scatters from the nearby I*, in some cases deactivating it in the process. Thus, the latter superelastically scattered H atom acquires, as translational energy, nearly all of the I* energy (7603 cm-1). For example, for the dimer, the first dissociation event, (HI) 2 +hv→H+I(I*)·HI, is followed by I*·HI+hv→H superelastic +I-I. High quality potentials for the relevant HI excited states have been calculated recently, and coupling between 3 Π 0 + (which correlates with I * ) and 1 Π (which correlates with I) has been shown to be due to spin-rotation interaction. There is a high degree of separability between the photodissociation of the second HI moiety and the subsequent H+I * scattering (within a given cluster). This is due mainly to the shape of the 3 Π 0 + potential; specifically, it has a shallow well that persists to small r. The shape of the 3 Π 0 + potential is influenced by relativity; i.e., strong spin-orbit coupling maintains the I* spherical electron density to relatively small r. The 3 Π 0 + → 1 Π transition probabilities are calculated for H+I * collisions having different values of the collisional orbital
Bitsch, Vera; Hogberg, Michael
2005-01-01
Job satisfaction is likely the most studied work-related attitude and is assumed to influence a variety of behaviors. This study analyzes the job satisfaction of agricultural employees using Herzbergâ€™s theory, which is broadly employed in management. Fourteen horticultural businesses participated in case studies of labor-management practices. Fifteen nonsupervisory employee interviews were analyzed regarding job satisfaction. Components of job satisfaction relevant to horticultural employee...
Hansen, Christopher S.; Kirk, Benjamin B.; Blanksby, Stephen J.; O'Hair, Richard. A. J.; Trevitt, Adam J.
2013-06-01
UV-vis photodissociation action spectroscopy is becoming increasingly prevalent because of advances in, and commercial availability of, ion trapping technologies and tunable laser sources. This study outlines in detail an instrumental arrangement, combining a commercial ion-trap mass spectrometer and tunable nanosecond pulsed laser source, for performing fully automated photodissociation action spectroscopy on gas-phase ions. The components of the instrumentation are outlined, including the optical and electronic interfacing, in addition to the control software for automating the experiment and performing online analysis of the spectra. To demonstrate the utility of this ensemble, the photodissociation action spectra of 4-chloroanilinium, 4-bromoanilinium, and 4-iodoanilinium cations are presented and discussed. Multiple photoproducts are detected in each case and the photoproduct yields are followed as a function of laser wavelength. It is shown that the wavelength-dependent partitioning of the halide loss, H loss, and NH3 loss channels can be broadly rationalized in terms of the relative carbon-halide bond dissociation energies and processes of energy redistribution. The photodissociation action spectrum of (phenyl)Ag2 + is compared with a literature spectrum as a further benchmark.
Photodissociation and photoionisation of atoms and molecules of astrophysical interest
Heays, A. N.; Bosman, A. D.; van Dishoeck, E. F.
2017-06-01
A new collection of photodissociation and photoionisation cross sections for 102 atoms and molecules of astrochemical interest has been assembled, along with a brief review of the basic physical processes involved. These have been used to calculate dissociation and ionisation rates, with uncertainties, in a standard ultraviolet interstellar radiation field (ISRF) and for other wavelength-dependent radiation fields, including cool stellar and solar radiation, Lyman-α dominated radiation, and a cosmic-ray induced ultraviolet flux. The new ISRF rates generally agree within 30% with our previous compilations, with a few notable exceptions. Comparison with other databases such as PHIDRATES is made. The reduction of rates in shielded regions was calculated as a function of dust, molecular and atomic hydrogen, atomic C, and self-shielding column densities. The relative importance of these shielding types depends on the atom or molecule in question and the assumed dust optical properties. All of the new data are publicly available from the Leiden photodissociation and ionisation database. Sensitivity of the calculated rates to variation of temperature and isotope, and uncertainties in measured or calculated cross sections, are tested and discussed. Tests were conducted on the new rates with an interstellar-cloud chemical model, and find general agreement (within a factor of two) in abundances obtained with the previous iteration of the Leiden database assuming an ISRF, and order-of-magnitude variations assuming various kinds of stellar radiation. The newly parameterised dust-shielding factors makes a factor-of-two difference to many atomic and molecular abundances relative to parameters currently in the UDfA and KIDA astrochemical reaction databases. The newly-calculated cosmic-ray induced photodissociation and ionisation rates differ from current standard values up to a factor of 5. Under high temperature and cosmic-ray-flux conditions the new rates alter the equilibrium
Atomic carbon emission from photodissociation of CO2. [planetary atmospheric chemistry
Wu, C. Y. R.; Phillips, E.; Lee, L. C.; Judge, D. L.
1978-01-01
Atomic carbon fluorescence, C I 1561, 1657, and 1931 A, has been observed from photodissociation of CO2, and the production cross sections have been measured. A line emission source provided the primary photons at wavelengths from threshold to 420 A. The present results suggest that the excited carbon atoms are produced by total dissociation of CO2 into three atoms. The cross sections for producing the O I 1304-A fluorescence through photodissociation of CO2 are found to be less than 0.01 Mb in the wavelength region from 420 to 835 A. The present data have implications with respect to photochemical processes in the atmospheres of Mars and Venus.
Photodissociation spectroscopy of the dysprosium monochloride molecular ion
Energy Technology Data Exchange (ETDEWEB)
Dunning, Alexander, E-mail: alexander.dunning@gmail.com; Schowalter, Steven J.; Puri, Prateek; Hudson, Eric R. [Department of Physics and Astronomy, University of California, Los Angeles, California 90095 (United States); Petrov, Alexander; Kotochigova, Svetlana [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)
2015-09-28
We have performed a combined experimental and theoretical study of the photodissociation cross section of the molecular ion DyCl{sup +}. The photodissociation cross section for the photon energy range 35 500 cm{sup −1} to 47 500 cm{sup −1} is measured using an integrated ion trap and time-of-flight mass spectrometer; we observe a broad, asymmetric profile that is peaked near 43 000 cm{sup −1}. The theoretical cross section is determined from electronic potentials and transition dipole moments calculated using the relativistic configuration-interaction valence-bond and coupled-cluster methods. The electronic structure of DyCl{sup +} is extremely complex due to the presence of multiple open electronic shells, including the 4f{sup 10} configuration. The molecule has nine attractive potentials with ionically bonded electrons and 99 repulsive potentials dissociating to a ground state Dy{sup +} ion and Cl atom. We explain the lack of symmetry in the cross section as due to multiple contributions from one-electron-dominated transitions between the vibrational ground state and several resolved repulsive excited states.
Controlling the branching ratio of photodissociation using aligned molecules
DEFF Research Database (Denmark)
Larsen, J.J.; Wendt-Larsen, I.; Stapelfeldt, H.
1999-01-01
Using a sample of iodine molecules, aligned by a strong, linearly polarized laser pulse, we control the branching ratio of the I+I and I+I* photodissociation channels by a factor of 26. The control relies on selective photoexcitation of two potential curves that each correlate adiabatically...
International Nuclear Information System (INIS)
Wang Xiaojing; Wang Wei; Han Peilin; Kubo, Momoji; Miyamoto, Akira
2008-01-01
An accelerated quantum chemical molecular dynamical code 'Colors-Excite' was used to investigate the photolysis of alkyl nitrites series, RONO (R=CH 3 and C(CH 3 ) 3 ) on copper surfaces. Our calculations showed that the photo-dissociated processes are associated with the alkyl substituents of RONO when adsorbed on copper surfaces. For R=CH 3 , a two-step photolysis reaction occurred, yielding diverse intermediate products including RO radical, NO, and HNO, consistent with those reported in gas phase. While for R=C(CH 3 ) 3 , only one-step photolysis reaction occurred and gave intermediate products of RO radical and NO. Consequently, pure RO species were achieved to adsorb on metal surfaces by removing the NO species in photolysis reaction. The detailed photo-dissociated behaviors of RONO on copper surfaces with different alkyl substituents which are uncovered by the present simulation can be extended to explain the diverse dissociative mechanism experimentally observed. The quantum chemical molecular dynamical code 'Colors-Excite' is proved to be highly applicable to the photo-dissociations on metal surfaces
McDonald, Mickey; McGuyer, Bart H.; Lee, Chih-Hsi; Apfelbeck, Florian; Zelevinsky, Tanya
2016-05-01
When a molecule is subjected to a sufficiently energetic photon it can break apart into fragments through a process called ``photodissociation''. For over 70 years this simple chemical reaction has served as a vital experimental tool for acquiring information about molecular structure, since the character of the photodissociative transition can be inferred by measuring the 3D photofragment angular distribution (PAD). While theoretical understanding of this process has gradually evolved from classical considerations to a fully quantum approach, experiments to date have not yet revealed the full quantum nature of this process. In my talk I will describe recent experiments involving the photodissociation of ultracold, optical lattice-trapped, and fully quantum state-resolved 88Sr2 molecules. Optical absorption images of the PADs produced in these experiments reveal features which are inherently quantum mechanical in nature, such as matter-wave interference between output channels, and are sensitive to the quantum statistics of the molecular wavefunctions. The results of these experiments cannot be predicted using quasiclassical methods. Instead, we describe our results with a fully quantum mechanical model yielding new intuition about ultracold chemistry.
Combining UV photodissociation with electron transfer for peptide structure analysis
Czech Academy of Sciences Publication Activity Database
Shaffer, C. J.; Marek, Aleš; Pepin, R.; Slováková, K.; Tureček, F.
2015-01-01
Roč. 50, č. 3 (2015), s. 470-475 ISSN 1076-5174 Institutional support: RVO:61388963 Keywords : electron transfer dissociation * laser photodissociation * peptide ions * cation radical * chromophores * isomer distinction Subject RIV: CE - Biochemistry Impact factor: 2.541, year: 2015
Pardee, Ronald L.
Job satisfaction, motivation, and reward systems are included in one area of organizational theory. The strongest influence in this area is motivation because it overlaps into both of the other two components. A review of the classical literature on motivation reveals four major theory areas: (1) Maslow's Hierarchy of Needs; (2) Herzberg's…
Photodissociation dynamics of 1-propanol and 2-propanol at 193.3 nm
International Nuclear Information System (INIS)
Zhou Weidong; Yuan Yan; Zhang Jingsong
2003-01-01
193.3-nm photodissociation dynamics of jet-cooled 1-propanol and 2-propanol and their partially deuterated variants are examined by using the high-n Rydberg-atom time-of-flight technique. Isotope labeling studies show that O-H bond fission is the primary H-atom production channel in the ultraviolet photodissociation of both 1-propanol and 2-propanol. Center-of-mass (c.m.) product translational energy release of the RO-H dissociation channel is large, with T >=0.78 for H+1-propoxy (n-propoxy) and 0.79 for H+2-propoxy (isoproxy). Maximum c.m. translational energy release yields an upper limit of the O-H bond dissociation energy: 433±2 kJ/mol in 1-propanol and 435±2 kJ/mol in 2-propanol. H-atom product angular distribution is anisotropic (with β≅-0.79 for 1-propanol and -0.77 for 2-propanol), suggesting an electronic transition moment perpendicular to the H-O-C plane and a short excited-state dissociation lifetime (less than a rotational period). Information about photodissociation dynamics and bond energies of the partially deuterated propanols are also obtained. The 193.3-nm photodissociation dynamics of 1-propanol and 2-propanol are nearly identical to each other and are similar to those of methanol and ethanol. This indicates a common RO-H dissociation mechanism: after the n O →σ * (O-H)/3s excitation localized on the H-O-C moiety, the H atom is ejected promptly in the H-O-C plane in a time scale shorter than a rotational period of the parent molecule, and it dissociates along the O-H coordinate on the repulsive excited-state potential-energy surface with a large translational energy release
Quantum treatment of the Ar-HI photodissociation dynamics
International Nuclear Information System (INIS)
Lopez-Lopez, Sergio; Prosmiti, Rita; Garcia-Vela, Alberto
2004-01-01
A wave packet simulation of the ultraviolet photolysis dynamics of Ar-HI(v=0) is reported. Cluster photodissociation is started from two different initial states, namely, the ground van der Waals (vdW) and the first excited vdW bending state, associated with the Ar-I-H and Ar-H-I isomeric forms of the system, respectively. Formation of Ar-I radical products is investigated over the energy range of the cluster absorption spectrum. It is found that the yield of bound Ar-I radical complexes is typically 90%-100% and 70%-80% for the initial states associated with the Ar-I-H and Ar-H-I isomers, respectively. This result is in agreement with the experimentally observed time-of-flight spectrum of the hydrogen fragment produced after Ar-HI photodissociation. The high Ar-I yield is explained mainly by the small amount of energy available for the radical that is converted into internal energy in the photofragmentation process, which enhances the Ar-I survival probability. Quantum interference effects manifest themselves in structures in the angular distribution of the hydrogen fragment, and in pronounced rainbow patterns in the rotational distributions of the Ar-I radical
Photodissociation spectroscopy and dynamics of free radicals, clusters, and ions
Energy Technology Data Exchange (ETDEWEB)
Choi, Hyeon [Univ. of California, Berkeley, CA (United States)
1999-12-01
The photodissociation spectroscopy and dynamics of free radicals and ions is studied to characterize the dissociative electronic states in these species. To accomplish this, a special method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with the technique of fast beam photofragment translational spectroscopy. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states. Branching ratios to various product channels, the translational energy distributions of the fragments, and bond dissociation energies are then determined at selected photon energies. The detailed picture of photodissociation dynamics is provided with the aid of ab initio calculations and a statistical model to interpret the observed data. Important reaction intermediates in combustion reactions have been studied: CCO, C_{2}H_{5}O, and linear C_{n} (n = 4--6).
DC slice ion imaging study of atomic orbital orientation and alignment in photodissociation
Lee, Suk Kyoung
A complete study of atomic photofragment polarization has been achieved by using DC slice imaging, a recently developed approach directly providing the central slice of the full 3D product distribution without any mathematical transformation. In this dissertation, the quantum mechanical treatment adapted for the sliced images has been derived to extract the angular momentum polarization anisotropy parameters for any recoil speeds. The important photodissociation dynamics of small polyatomic molecules has been presented based on the thorough interpretation of the observed orientation and alignment. The first demonstration of DC slice imaging of orbital polarization was a study of the 193 nm photodissociation of ethylene sulfide, followed by detailed investigation in ozone and OCS. In ozone, the speed-dependent orientation was measured for O(1D2) atom produced from photodissociation in the 248--285 nm region. The results show negligible orbital orientation following dissociation by circularly polarized light but strong recoil speed-dependent orientation following photolysis by linearly polarized light at all wavelengths studied. The origin of this polarization is ascribed to nonadiabatic transitions at avoided crossings and at long range. The atomic orbital alignment and orientation, including the higher order moments (K = 3, 4), has been carried out for the photodissociation of OCS at 193 nm. The observed speed-dependent beta and polarization parameters of S(1D2) atom support the interpretation that there are two main dissociation processes: a simultaneous two-surface excitation and the initial single-surface excitation followed by the nonadiabatic crossing to the ground state. The angle- and speed-dependent density matrix can be constructed containing the higher order contributions for circularly-polarized dissociation light. It was shown in one case that the higher order contributions should not be overlooked for an accurate picture of the dissociation dynamics in
Characteristic analysis of laser isotope separation process by two-step photodissociation method
International Nuclear Information System (INIS)
Okamoto, Tsuyoshi; Suzuki, Atsuyuki; Kiyose, Ryohei
1981-01-01
A large number of laser isotope separation experiments have been performed actively in many countries. In this paper, the selective two-step photodissociation method is chosen and simultaneous nonlinear differential equations that express the separation process are solved directly by using computer. Predicted separation factors are investigated in relation to the incident pulse energy and the concentration of desired molecules. Furthermore, the concept of separative work is used to evaluate the results of separation for this method. It is shown from an example of numerical calculation that a very large separation factor can be obtained if the concentration of desired molecules is lowered and two laser pulses to be closely synchronized are not always required in operation for the photodissociation of molecules. (author)
Effect of linear chirp on strong field photodissociation of H+2
International Nuclear Information System (INIS)
Prabhudesai, Vaibhav; Natan, Adi; Bruner, Barry; Silberberg, Yaron; Lev, Uri; Heber, Oded; Strasser, Daniel; Schwalm, Dirk; Zajfman, Daniel; Ben-Itzhak, Itzik
2011-01-01
We report the experimental findings of a systematic study of the effect of linear chirp on strong field photodissociation of H + 2 . For vibrational levels around or above the one photon crossing, the effect manifests itself in terms of a shift in the kinetic energy release (KER) peaks. The peaks shift up for negative chirp whereas they shift down for positive chirp. The measurements are carried out by varying two of the three laser pulse characteristics, energy, pulse peak intensity and linear chirp, while keeping the third constant. The shifts in the KER peaks are found to be intensity dependent for a given value of chirp. However, in the last two cases (i.e., fixed pulsed energy and fixed pulse peak intensity), they are found to be independent of the chirp magnitude. The results are understood on the basis of saturation of photodissociation probabilities for these levels.
Ultraviolet photodissociation dynamics of the benzyl radical.
Song, Yu; Zheng, Xianfeng; Lucas, Michael; Zhang, Jingsong
2011-05-14
Ultraviolet (UV) photodissociation dynamics of jet-cooled benzyl radical via the 4(2)B(2) electronically excited state is studied in the photolysis wavelength region of 228 to 270 nm using high-n Rydberg atom time-of-flight (HRTOF) and resonance enhanced multiphoton ionization (REMPI) techniques. In this wavelength region, H-atom photofragment yield (PFY) spectra are obtained using ethylbenzene and benzyl chloride as the precursors of benzyl radical, and they have a broad peak centered around 254 nm and are in a good agreement with the previous UV absorption spectra of benzyl. The H + C(7)H(6) product translational energy distributions, P(E(T))s, are derived from the H-atom TOF spectra. The P(E(T)) distributions peak near 5.5 kcal mol(-1), and the fraction of average translational energy in the total excess energy, , is ∼0.3. The P(E(T))s indicate the production of fulvenallene + H, which was suggested by recent theoretical studies. The H-atom product angular distribution is isotropic, with the anisotropy parameter β ≈ 0. The H/D product ratios from isotope labeling studies using C(6)H(5)CD(2) and C(6)D(5)CH(2) are reasonably close to the statistical H/D ratios, suggesting that the H/D atoms are scrambled in the photodissociation of benzyl. The dissociation mechanism is consistent with internal conversion of the electronically excited benzyl followed by unimolecular decomposition of the hot benzyl radical on the ground state.
International Nuclear Information System (INIS)
Arbelo-González, W.; Bonnet, L.; Larrégaray, P.; Rayez, J.-C.; Rubayo-Soneira, J.
2012-01-01
Graphical abstract: A recent classical description of photodissociation dynamics in a quantum spirit is applied for the first time to a realistic process, the fragmentation of NeBr 2 . Highlights: ► The photo-dissociation of NeBr 2 is studied by means of two approaches. ► The first is the standard classical one with Gaussian binning. ► The second is a new method applied for the first time to a realistic system. ► The new method leads to exactly the same results as the standard one. ► However, it requires about 10 times less trajectories in the present case. - Abstract: The recent classical dynamical approach of photodissociations with Bohr quantization [L. Bonnet, J. Chem. Phys. 133 (2010) 174108] is applied for the first time to a realistic process, the photofragmentation of the van der Waals cluster NeBr 2 . We illustrate the fact that this approach, formally equivalent to the standard one, may be numerically much more efficient.
Photoisomerization and photodissociation dynamics of reactive free radicals
Energy Technology Data Exchange (ETDEWEB)
Bise, Ryan T. [Univ. of California, Berkeley, CA (United States)
2000-08-01
The photofragmentation pathways of chemically reactive free radicals have been examined using the technique of fast beam photofragment translational spectroscopy. Measurements of the photodissociation cross-sections, product branching ratios, product state energy distributions, and angular distributions provide insight into the excited state potential energy surfaces and nonadiabatic processes involved in the dissociation mechanisms. Photodissociation spectroscopy and dynamics of the predissociative $\\tilde{A}$^{2}A_{1} and $\\tilde{B}$^{2}A_{2} states of CH_{3}S have been investigated. At all photon energies, CH_{3} + S(^{3}P_{j}), was the main reaction channel. The translational energy distributions reveal resolved structure corresponding to vibrational excitation of the CH_{3} umbrella mode and the S(^{3}P_{j}) fine-structure distribution from which the nature of the coupled repulsive surfaces is inferred. Dissociation rates are deduced from the photofragment angular distributions, which depend intimately on the degree of vibrational excitation in the C-S stretch. Nitrogen combustion radicals, NCN, CNN and HNCN have also been studied. For all three radicals, the elimination of molecular nitrogen is the primary reaction channel. Excitation to linear excited triplet and singlet electronic states of the NCN radical generates resolved vibrational structure of the N_{2} photofragment. The relatively low fragment rotational excitation suggests dissociation via a symmetric C_{2V} transition state. Resolved vibrational structure of the N_{2} photofragment is also observed in the photodissociation of the HNCN radical. The fragment vibrational and rotational distributions broaden with increased excitation energy. Simple dissociation models suggest that the HNCN radical isomerizes to a cyclic intermediate (c-HCNN) which then dissociates via a tight cyclic
Energy Technology Data Exchange (ETDEWEB)
Kawade, Monali N.; Saha, Ankur; Upadhyaya, Hari P.; Kumar, Awadhesh; Naik, Prakash D., E-mail: pdnaik@barc.gov.in
2014-10-31
Highlights: • Photodissociation studies on chloronitrotoluene (ClNT) and nitrocyclopentane (NCP). • Nascent OH product detected state selectively using laser induced fluorescence. • OH formation takes place from the ground electronic state with an exit barrier. • UV photodissociation dynamics of ClNT and NCP is different. - Abstract: Photodissociation of 2-chloro-6-nitrotoluene (ClNT) at 193, 248 and 266 nm and nitrocyclopentane (NCP) at 193 nm leads to the formation of OH, as detected by laser-induced fluorescence (LIF). The nascent OH produced from the photolysis of ClNT at all the wavelengths is vibrationally cold, with the Boltzmann type rotational state distributions. However, the nascent OH product from NCP is in the ground and vibrationally excited states with the measured average relative population in ν{sup ″}=1 to that in ν{sup ″}=0 of 0.12 ± 0.03, and these levels are characterized by rotational temperatures of 650 ± 180 K and 1570 ± 90 K, respectively. The translational energy partitioned in the OH fragment has been measured for photodissociation of both ClNT and NCP. On the basis of both the experimental results and the ground state molecular orbital (MO) calculations, a plausible mechanism for the OH formation has been proposed.
Solar flux variability in the Schumann-Runge continuum as a function of solar cycle 21
International Nuclear Information System (INIS)
Torr, M.R.; Torr, D.G.; Hinteregger, H.E.
1980-01-01
Measurements of the solar flux in the Schumann-Runge continuum (1350-1750 A) by the Atmosphere Explorer satellites reveal a strong dependence on solar activity. Solar intensities over the rising phase of cycle 21, increase by more than a factor of two at the shorter wavelengths (1350 A), with a smaller change (approx.10%) at 1750 A. A significant 27 day variability is found to exist superimposed on the solar cycle variation. Because radiation in this portion of the spectum is important to the lower thermosphere in the photodissociation of 0 2 and the production of 0( 1 D), we use the unattenuated Schumann-Runge continuum dissociation frequency as a parameter to illustrate the magnitude and temporal characteristics of this variation. The values of this parameter, J/sub infinity/(0 2 )/sub SR/, range from 1.5 x 10 -6 s -1 for April 23, 1974, to 2.8 x 10 -6 s -1 for February 19, 1979. In studies of oxygen in the lower thermosphere, it is therefore necessary to use solar spectral intensities representative of the actual conditions for which the calculations are made. Both the J/sub infinity/(0 2 )/sub SR/ parameter and the solar flux at various wavelengths over the 1350 to 1750 A range can be expressed in terms of the F10.7 index to a reasonable approximation
Orii, T; Onari, S; Kaito, S I; Arai, T
1997-01-01
We developed an apparatus that enables us to perform optical measurements of nanocrystals suspended in vacuum. CdSe nanocrystals were produced by a gas evaporation method, and nanocrystal beams were then formed using an inert-gas flow with differential pumping. We measured photoluminescence spectra of the nanocrystal beams with excitations of various photon energies and powers. For a low excitation power, edge emission of the CdSe nanocrystal beam was observed. With increase of the laser power, Raman lines of Se dimers emitted due to the photodissociation of CdSe nanocrystals were observed. It was found that the thresholds of the excitation laser fluence for the photodissociation of CdSe nanocrystals were much smaller than the thresholds of laser fluence for the laser-induced emission of Se atoms from bulk CdSe. The electronic process is dominant in the photodissociation of CdSe nanocrystals whose surfaces are completely free. We suggest that the effective supply of carriers confined in nanocrystals to the su...
Photodissociation of spatially aligned acetaldehyde cations.
Lee, Suk Kyoung; Silva, Ruchira; Kim, Myung Hwa; Shen, Lei; Suits, Arthur G
2007-07-26
Photofragment translational energy and angular distributions are reported for the photodissociation of acetaldehyde cations in the wavelength range 354-363 nm obtained using the DC slice ion imaging technique. Vibrationally selected parent ions were produced by 2+1 resonance-enhanced multiphoton ionization (REMPI) via the 3sCH3CO+, and CH4+. The angular distributions reveal that all product channels have a predominantly parallel recoil anisotropy although the lower beta2 parameter of CH3CO+ indicates the concomitant presence of a perpendicular component. Furthermore, the distinct angular distribution of the CH3CO+ fragments shows a large value of the higher order Legendre polynomial term, providing evidence that acetaldehyde cations are spatially aligned during the ionization process.
Iron monoxide photodissociation
Chestakov, D. A.; Parker, D. H.; Baklanov, A. V.
2005-02-01
The photodissociation of Fe56O was studied by means of the velocity map imaging technique. A molecular beam of iron atoms and iron monoxide molecules was created using an electrical discharge with an iron electrode in a supersonic expansion of molecular oxygen. The ground state iron atom Fe(D45) and FeO concentrations in the molecular beam have been estimated. The dissociation energy of the FeO XΔ5 ground electronic state was found to be D00(FeO )=4.18±0.01eV. The effective absorption cross section of FeO at 252.39nm (vac), leading to the Fe(D45)+O(P3) dissociation channel, is ˜1.2×10-18cm2. A (1+1) resonantly enhanced multiphoton ionization spectrum of Fe56O in the region 39550-39580 cm-1 with rotational structure has been observed, but not assigned. Angular distributions of Fe(D45) and Fe(D35) products for the channel FeO →Fe(D4,35)+O(P3) have been measured at several points in the 210-260nm laser light wavelength region. The anisotropy parameter varies strongly with wavelength for both channels.
The effects of polycyclic aromatic hydrocarbons on the chemistry of photodissociation regions
Bakes, ELO; Tielens, AGGM
1998-01-01
We have investigated the effects of including polycylic aromatic hydrocarbons (PAHs) on the abundance of neutral atoms and molecules for two typical photodissociation regions (PDRs): a high-density case (the Orion complex) and a low-density case. PAHs provide a large surface area for chemistry
Energy Technology Data Exchange (ETDEWEB)
Vidma, Konstantin V.; Frederix, Pim W. J. M.; Parker, David H. [Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6525 ED Nijmegen (Netherlands); Baklanov, Alexey V. [Institute of Chemical Kinetics and Combustion, Institutskaja Street 3, Novosibirsk 630090 (Russian Federation) and Novosibirsk State University, Pirogova street 2, Novosibirsk 630090 (Russian Federation)
2012-08-07
The speed and angular distribution of O atoms arising from the photofragmentation of C{sub 5}H{sub 8}-O{sub 2}, the isoprene-oxygen van der Waals complex, in the wavelength region of 213-277 nm has been studied with the use of a two-color dissociation-probe method and the velocity map imaging technique. Dramatic enhancement in the O atoms photo-generation cross section in comparison with the photodissociation of individual O{sub 2} molecules has been observed. Velocity map images of these 'enhanced' O atoms consisted of five channels, different in their kinetic energy, angular distribution, and wavelength dependence. Three channels are deduced to be due to the one-quantum excitation of the C{sub 5}H{sub 8}-O{sub 2} complex into the perturbed Herzberg III state ({sup 3}{Delta}{sub u}) of O{sub 2}. This excitation results in the prompt dissociation of the complex giving rise to products C{sub 5}H{sub 8}+O+O when the energy of exciting quantum is higher than the complex photodissociation threshold, which is found to be 41740 {+-} 200 cm{sup -1} (239.6{+-}1.2 nm). This last threshold corresponds to the photodissociation giving rise to an unexcited isoprene molecule. The second channel, with threshold shifted to the blue by 1480 {+-} 280 cm{sup -1}, corresponds to dissociation with formation of rovibrationally excited isoprene. A third channel was observed at wavelengths up to 243 nm with excitation below the upper photodissociation threshold. This channel is attributed to dissociation with the formation of a bound O atom C{sub 5}H{sub 8}-O{sub 2}+hv{yields} C{sub 5}H{sub 8}-O{sub 2}({sup 3}{Delta}{sub u}) {yields} C{sub 5}H{sub 8}O + O and/or to dissociation of O{sub 2} with borrowing of the lacking energy from incompletely cooled complex internal degrees of freedom C{sub 5}H{sub 8}{sup *}-O{sub 2}+hv{yields} C{sub 5}H{sub 8}{sup *}-O{sub 2}({sup 3}{Delta}{sub u}) {yields} C{sub 5}H{sub 8}+ O + O. The kinetic energy of the O atoms arising in two other
Synergistic effects for the TiO2/RuO2/Pt photodissociation of water
Energy Technology Data Exchange (ETDEWEB)
Blondel, G; Harriman, A; Williams, D
1983-07-01
Compressed discs of naked TiO2 or TiO2 coated with a thin film of a noble metal (e.g. Pt) do not photodissociate water upon illumination with UV light, but small amounts of H2 are generated if the TiO2 has been reduced in a stream of H2 at 600 C. Discs prepared from mixtures of TiO2/RuO2 facilitate the UV photodissociation of water into H2 and O2 although the yields are very low. When a thin (about 9 nm) film of Pt is applied to the TiO2/RuO2 discs, the yields of H2 and O2 observed upon irradiation with UV light are improved drastically. 25 references.
Energy Technology Data Exchange (ETDEWEB)
Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)
1999-12-01
This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.
International Nuclear Information System (INIS)
Zanni, Martin T.
1999-01-01
This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents
Theoretical treatment of photodissociation of water by time-dependent quantum mechanical methods
International Nuclear Information System (INIS)
Weide, K.
1993-01-01
An algorithm for wavepacket propagation, based on Kosloff's method of expansion of the time evolution operator in terms of Chebychev polynomials, and some details of its implementation are described. With the programs developed, quantum-mechanical calculations for up to three independent molecular coordinates are possible and feasible and therefore photodissociation of non-rotating triatomic molecules can be treated exactly. The angular degree of freedom here is handled by expansion in terms of free diatomic rotor states. The time-dependent wave packet picture is compared with the more traditional view of stationary wave functions, and both are used to interpret computational results where appropriate. Two-dimensional calculations have been performed to explain several experimental observations about water photodissociation. All calculations are based on ab initio potential energy surfaces, and it is explained in each case why it is reasonable to neglect the third degree of freedom. Many experimental results are reproduced quantitatively. (orig.) [de
Romano, Antonio
2010-01-01
This book offers a broad overview of the potential of continuum mechanics to describe a wide range of macroscopic phenomena in real-world problems. Building on the fundamentals presented in the authors' previous book, Continuum Mechanics using Mathematica(R), this new work explores interesting models of continuum mechanics, with an emphasis on exploring the flexibility of their applications in a wide variety of fields.Specific topics, which have been chosen to show the power of continuum mechanics to characterize the experimental behavior of real phenomena, include: * various aspects of nonlin
Spin-State-Controlled Photodissociation of Iron(III) Azide to an Iron(V) Nitride Complex
Czech Academy of Sciences Publication Activity Database
Andris, E.; Navrátil, R.; Jašík, J.; Sabenya, G.; Costas, M.; Srnec, Martin; Roithová, J.
2017-01-01
Roč. 56, č. 45 (2017), s. 14057-14060 ISSN 1521-3773 Institutional support: RVO:61388955 Keywords : Ion spectroscopy * Iron(V) nitride * Photodissociation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry
International Nuclear Information System (INIS)
Lebedev, V S; Presnyakov, L P
2002-01-01
An analytical approach for the description of photoabsorption by a gas or plasma medium containing atomic and molecular components in thermodynamic equilibrium is developed. Continuous absorption of radiation is due to the photodissociation of a diatomic molecule from a manifold of excited rovibrational states and free-free transitions between the two electronic terms of a quasimolecule temporarily formed during a collision of atomic particles. The formulae are obtained for individual photodissociation cross sections from a given rovibrational state and for the Boltzmann-averaged cross section. Particular attention is paid to the derivation of a general analytical expression for the total absorption coefficient including the integral contribution of bound-free and free-free radiative transitions. The consideration is based on the theory of nonadiabatic transitions combined with the approximation of a quasicontinuum for rovibrational states. The theory is applied to the investigation of photoabsorption by the H 2 + ion in the IR, visible and UV spectral regions. It is shown that our results are in good agreement with available ab initio quantal calculations of photodissociation cross sections and with semiclassical calculations of absorption coefficients. Special attention is paid to the investigation of the relative contributions of the H 2 + and H - ions to the total absorption in a wide range of wavelengths and temperatures
Yamashita, Koichi; Morokuma, Keiji; Le Quéré, Frederic; Leforestier, Claude
1992-04-01
New ab initio potential energy surfaces (PESs) of the ground and B ( 1B 2) states of ozone have been calculated with the CASSCF-SECI/DZP method to describe the three-dimensional photodissociation process. The dissociation energy of the ground state and the vertical barrier height of the B PES are obtained to be 0.88 and 1.34 eV, respectively, in better agreement with the experimental values than the previous calculation. The photodissociation autocorrelation function, calculated on the new B PES, based on exact three-dimensional quantum dynamics, reproduces well the main recurrence feature extracted from the experimental spectra.
Effect of linear chirp on strong field photodissociation of H{sup +}{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Prabhudesai, Vaibhav; Natan, Adi; Bruner, Barry; Silberberg, Yaron; Lev, Uri; Heber, Oded; Strasser, Daniel; Schwalm, Dirk; Zajfman, Daniel [Weizmann Institute of Science, 76100 (Israel); Ben-Itzhak, Itzik [Kansas State University, Kansas (United States)
2011-10-15
We report the experimental findings of a systematic study of the effect of linear chirp on strong field photodissociation of H{sup +}{sub 2}. For vibrational levels around or above the one photon crossing, the effect manifests itself in terms of a shift in the kinetic energy release (KER) peaks. The peaks shift up for negative chirp whereas they shift down for positive chirp. The measurements are carried out by varying two of the three laser pulse characteristics, energy, pulse peak intensity and linear chirp, while keeping the third constant. The shifts in the KER peaks are found to be intensity dependent for a given value of chirp. However, in the last two cases (i.e., fixed pulsed energy and fixed pulse peak intensity), they are found to be independent of the chirp magnitude. The results are understood on the basis of saturation of photodissociation probabilities for these levels.
Photodissociation of dibromoethanes at 248 nm: an ignored channel of Br2 elimination.
Lee, Hsin-Lung; Lee, Ping-Chen; Tsai, Po-Yu; Lin, King-Chuen; Kuo, H H; Chen, P H; Chang, A H H
2009-05-14
Br(2) molecular elimination is probed in the photodissociation of 1,1- and 1,2-C(2)H(4)Br(2) isomeric forms at 248 nm by using cavity ring-down absorption spectroscopy. Their photodissociation processes differ markedly from each other. The quantum yield of the Br(2) fragment in 1,2-dibromoethane is 0.36+/-0.18, in contrast to a value of 0.05+/-0.03 in 1,1-dibromoethane. The vibrational population ratios of Br(2)(v=1)/Br(2)(v=0) are 0.8+/-0.1 and 0.5+/-0.2 for 1,2- and 1,1-dibromoethanes, respectively. The Br(2) yield densities are found to increase by a factor of 35% and 190% for 1,2- and 1,1-dibromoethanes within the same temperature increment. In the ab initio potential energy calculations, the transition state (TS) along the adiabatic ground state surface may correlate to the Br(2) products. The TS energy for 1,2-dibromoethane is well below the excitation energy at 483 kJ/mol, whereas that for 1,1-dibromoethane is slightly above. Such a small TS energy barrier impedes the photodissociation of the ground state 1,1-dibromoethane such that the production yield of Br(2) may become relatively low, but rise rapidly with the temperature. The TS structure shows a larger bond distance of Br-Br in 1,2-dibromoethane than that in 1,1-dibromoethane. That explains why the former isomer may result in hotter vibrational population of the Br(2) fragments.
International Nuclear Information System (INIS)
Howard, Christian D.; Sandell, Göran; Vacca, William D.; Duchêne, Gaspard; Mathews, Geoffrey; Augereau, Jean-Charles; Ménard, Francois; Pinte, Christophe; Podio, Linda; Thi, Wing-Fai; Barrado, David; Riviere-Marichalar, Pablo; Dent, William R. F.; Eiroa, Carlos; Meeus, Gwendolyn; Grady, Carol; Roberge, Aki; Kamp, Inga; Vicente, Silvia; Williams, Jonathan P.
2013-01-01
The Herschel Space Observatory was used to observe ∼120 pre-main-sequence stars in Taurus as part of the GASPS Open Time Key project. Photodetector Array Camera and Spectrometer was used to measure the continuum as well as several gas tracers such as [O I] 63 μm, [O I] 145 μm, [C II] 158 μm, OH, H 2 O, and CO. The strongest line seen is [O I] at 63 μm. We find a clear correlation between the strength of the [O I] 63 μm line and the 63 μm continuum for disk sources. In outflow sources, the line emission can be up to 20 times stronger than in disk sources, suggesting that the line emission is dominated by the outflow. The tight correlation seen for disk sources suggests that the emission arises from the inner disk (<50 AU) and lower surface layers of the disk where the gas and dust are coupled. The [O I] 63 μm is fainter in transitional stars than in normal Class II disks. Simple spectral energy distribution models indicate that the dust responsible for the continuum emission is colder in these disks, leading to weaker line emission. [C II] 158 μm emission is only detected in strong outflow sources. The observed line ratios of [O I] 63 μm to [O I] 145 μm are in the regime where we are insensitive to the gas-to-dust ratio, neither can we discriminate between shock or photodissociation region emission. We detect no Class III object in [O I] 63 μm and only three in continuum, at least one of which is a candidate debris disk
Schmidt, J A; Olsen, J M H
2014-11-14
The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2(1)A' (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1(1)A″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO.
International Nuclear Information System (INIS)
Schmidt, J. A.; Olsen, J. M. H.
2014-01-01
The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2 1 A ′ (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1 1 A ″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO
Job Satisfaction: A Possible Integration of Two Theories
Hazer, John T.
1976-01-01
The author proposes an integration of Herzberg's two-factor theory of job satisfaction (job satisfaction/dissatisfaction as two separate, parallel continua) and traditional theory (job satisfaction/dissatisfaction sharing the same continuum) and a rationale for deciding which motivation methods to use for employees with differeing levels of…
Multiphonon generation during photodissociation of slow Landau-Pekar polarons
International Nuclear Information System (INIS)
Myasnikov, E. N.; Myasnikova, A. E.; Mastropas, Z. P.
2006-01-01
The spectra of the low-temperature photodissociation (photoionization) of Landau-Pekar polarons are calculated using the theory of quantum-coherent states and a new method of variation with respect to the parameters of phonon vacuum deformation. It is shown that the final polaron states upon photodissociation may have different numbers of phonons produced in a single dissociation event and different momenta of charge carriers. The spectrum of optical absorption related to the photodissociation of polarons exhibits a superposition of bands corresponding to various numbers of phonons formed as a result of dissociation of a single polaron. Due to a large width of the energy region corresponding to the final states of charge carriers, the halfwidth of each band is on the order of the energy of polaron coupling and is much greater than the phonon energy. For this reason, the individual phonon bands exhibit strong overlap. The very broad and, probably, structureless band formed as a result of the superposition of all these components begins at an energy equal to the sum of the polaron coupling energy (E p ) and the phonon energy. This band has a maximum at a frequency of about 5.6E p /ℎ and a halfwidth on the order of 5.6E p /ℎ at a unit effective mass (m* = m e ) of band electrons. For an effective charge carrier mass within m* = (1-3)m e , the energy of the polaron band maximum can be estimated as 5E p with an error of about 10%, and the halfwidth falls within 3.4E p 1/2 p . The multiphonon character of this band is related to a decay of the phonon condensate after the escape of charge carrier from a polaron. Such polarons are likely to be observed in the spectra of complex metal oxides, including high-temperature superconductors. Examples of such polaron bands in the reported absorption and photoconductivity spectra of nonstoichiometric cuprates, manganites, nickelates, and titanates are presented. A theory of the formation of Landau-Pekar polarons with the
Imaging of rotational wave-function in photodissociation of rovibrationally excited HCl molecules
Czech Academy of Sciences Publication Activity Database
Grygoryeva, Kateřina; Rakovský, Jozef; Votava, Ondřej; Fárník, Michal
2017-01-01
Roč. 147, č. 1 (2017), č. článku 013901. ISSN 0021-9606 R&D Projects: GA ČR GA14-08937S; GA ČR GA13-11635S Institutional support: RVO:61388955 Keywords : Angular distribution * Chemical reactions * Photodissociation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016
Photodissociation thresholds of OH produced from CH sub 3 OH in solid neon and argon
Cheng, B M; Lo, W J; Lee, Y P
2001-01-01
Photodissociation thresholds of OH from CH sub 3 OH in solid Ne and Ar were determined via photolysis of CH sub 3 OH/Ne and CH sub 3 OH/Ar (1/200) samples in situ at 4 K. The samples were irradiated with VUV synchrotron radiation after dispersion by a Seya-Namioka monochromator. The OH photo-product was detected by means of laser-induced fluorescence technique. The increase of fluorescent intensity of OH was monitored and recorded after the matrix sample was irradiated at different wavelengths for 3-5 min. Photodissociation threshold energies of 7.13+-0.02 eV (174.0+-0.5 nm) and 7.08+-0.04 eV (175.0+-1.0 nm) were measured for OH production of CH sub 3 OH in solid Ne and Ar, respectively.
Laser photodissociation and spectroscopy of mass-separated biomolecular ions
Polfer, Nicolas C
2014-01-01
This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light. The methods described in the book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" make use of the fact that the discrete energy and fast time scale of photoexcitation can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. Th
Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy
Czech Academy of Sciences Publication Activity Database
Andris, E.; Navrátil, R.; Jašík, J.; Sabenya, G.; Costas, M.; Srnec, Martin; Roithová, J.
2018-01-01
Roč. 24, č. 20 (2018), s. 5078-5081 ISSN 1521-3765 R&D Projects: GA ČR(CZ) GJ15-10279Y Institutional support: RVO:61388955 Keywords : photodissociation spectrochemistry * infrared spectra * DFT Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry
Directory of Open Access Journals (Sweden)
Somaie Ziar
2017-06-01
Full Text Available Background and objective: The most important factor for success in every organization, s its human resources. Human resources with the power of creativity, imagination, faith and commitment, have a great impact on the performance of the organization. University faculty members are the main pillars of human resources and affect the development of universities to promote academic standing in their communities. In this regard, the role of job motivation of faculty members to further efficiency helps universities. Materials and Methods: To determine the effective factors in job motivation of Shaheed Beheshti University of Medical Sciences’ faculty members, we conducted the study based on Herzberg's two factor motivation theory. In this across-sectional study, a sample of 137, (10% of the population in 12 faculties were selected by random and proportional sampling based on size and gender of faculty members. The instrument used was a questionnaire containing 40 of the 11 areas of external factors and an effective two-factor theory of Herzberg's motivation-based job. The reliability of the questionnaire was calculated using Cronbach's alpha (%86. After collecting data gamma and correlation multipliers Ki-test and logistic regression analysis was carried was with software SPSS16. Results: The internal factors were more important than external factors. Internal factors were more important in younger people. External factors, however, were more important in older people. Three areas, nature of work, professional development and career is also the most importance among the areas of internal factors, respectively. Two areas of occupational safety and connection are the most importance among the external factors. Conclusion: Providing the perfect environment, according to members of academic faculty, job security, moral values, decreasing problems of employment due to age and work experience, training individuals and providing a salary based on ability
Photodissociation and photoisomerization dynamics of CH2=CHCHO in solution
International Nuclear Information System (INIS)
Wu Weiqiang; Yang Chunfan; Zhao Hongmei; Liu Kunhui; Su Hongmei
2010-01-01
By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of α,β-enones, acrolein (CH 2 =CHCHO) in CH 3 CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH 3 CH=C=O with a branching ratio of 0.78 and the less important channel is the α cleavage of C-H bond yielding radical fragments CH 2 =CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet 3 (ππ * ) state rather than the ground S 0 state and the α cleavage of C-H bond is more likely to proceed in the singlet S 1 1 (nπ * ) state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.
CO product energy distribution in the photodissociation of methylketene and acrolein at 193 nm
Fujimoto, G. T.; Umstead, M. E.; Lin, M. C.
1985-04-01
CO product vibrational energy distributions in the photodissociation of the two C3H4O isomers, methylketene (CH3CHCO) and acrolein (CH2CHCHO), at 193 nm have been measured by CO laser resonance absorption. The CO from methylketene was found to be vibrationally excited up to v=7, and from acrolein v=6, with average vibrational energies of 3.4±0.3 and 2.7±0.7 kcal/mol, respectively. The similarities observed in the appearance times and in the vibrational energy content of the CO formed in the two systems support our previous conclusion that in the case of acrolein isomerization to methylketene takes place prior to the dissociation process: CH2CHCHO+hν→CH3CHCO*†→CH3CH+CO†. The CO vibrational energy distributions observed in both systems agree closely with the statistical distribution predicted assuming that ethylidene rather than ethylene is formed in the photodissociation reaction.
International Nuclear Information System (INIS)
Mugnai, A.; Petroncelli, P.; Fiocco, G.
1979-01-01
The diffusion of solar radiation by atmospheric molecules and aerosols and by ground albedo affects the photodissociation rates of atmospheric species relevant to the ozone chemistry. In this paper, a previous investigation on the photodissociation of O 3 is extended to NO 2 , NO 3 , HNO 3 , H 2 O 2 . Because of the different character of the absorption spectra of these species, the behaviour of photodissociation profiles with height and their sensitivity to such factors as ground albedo, aerosol loads, solar zenith angle are somewhat different. The results show that the presence of the aerosols usually enhances the photodissociation in the upper troposphere and in the stratosphere, because of scattering, but tends to reduce it at low heights because of the increased extinction. Enhancements in the photodissociation coefficients are as high as 20 to 40% for low values of the albedo and large aerosol loads such as those obtained after a volcanic eruption. On the other hand, at large values of the albedo, the effect of aerosols is mainly in attenuating the radiation going into and coming from the ground and their presence can lead to reduced photolysis even in the stratosphere. (author)
Photodissociation spectroscopy of NbnArm complexes
International Nuclear Information System (INIS)
Menezes, W.J.C.; Knickelbein, M.B.
1993-01-01
The optical absorption spectra of niobium clusters containing 7 to 20 atoms have been measured from 336 to 634 nm by way of photodissociation action spectroscopy of the corresponding van der Waals complexes with argon atoms: Nb n Ar m → hν Nb n + m Ar. The clusters in this size range do not display discrete absorption bands characteristic of molecular behavior, but rather absorption cross sections which increase monotonically with decreasing wavelength. This behavior is in qualitative accord with the absorption behavior predicted by the spherical Mie model for small niobium spheres, however, the measured cross sections are 2--5 times larger than predicted over this wavelength range, with the smallest clusters displaying the largest deviations. Interpreted within the classical electrodynamic framework, these observations suggest that the absorption spectra derive oscillator strength from an incipient surface plasmon, redshifted from its predicted resonance frequency in the vacuum ultraviolet
International Nuclear Information System (INIS)
Fletcher, J.C.
1978-01-01
Apparatus for the separation and extraction of molecular isotopes is claimed. Molecules of one and the same isotope are preferentially photo-dissociated by a laser and an ultraviolet source, or by multi-photon absorption of laser radiation. The resultant ions are confined with a magnetic field, moved in opposite directions by an electric field, extracted from the photo-dissociation region by means of screening and accelerating grids, and collected in ducts
International Nuclear Information System (INIS)
Nishiyama, Yoshikazu; Kato, Tsuyoshi; Ohtsuki, Yukiyoshi; Fujimura, Yuichi
2004-01-01
A linearized optimal control method in combination with mixed quantum/classical molecular dynamics simulation is used for numerically investigating the possibility of controlling photodissociation wave packets of I 2 - in water. Optimal pulses are designed using an ensemble of photodissociation samples, aiming at the creation of localized dissociation wave packets. Numerical results clearly show the effectiveness of the control although the control achievement is reduced with an increase in the internuclear distance associated with a target region. We introduce effective optimal pulses that are designed using a statistically averaged effective dissociation potential, and show that they semiquantitatively reproduce the control achievements calculated by using optimal pulses. The control mechanisms are interpreted from the time- and frequency-resolved spectra of the effective optimal pulses
Abou-Zied, Osama K.; McDonald, J. Douglas
1998-07-01
The bimolecular reaction of O(3P) with ethylene and the unimolecular photodissociation of acetaldehyde and formaldehyde have been studied using a picosecond pump/probe technique. The bimolecular reaction was initiated in a van der Waals dimer precursor, C2H4ṡNO2, and the evolution of the vinoxy radical product monitored by laser-induced fluorescence. The NO2 constituent of the complex was photodissociated at 266 nm. The triplet oxygen atom then attacks a carbon atom of C2H4 to form a triplet diradical (CH2CH2O) which subsequently dissociates to vinoxy (CH2CHO) and H. The rise time of vinoxy radical production was measured to be 217 (+75-25) ps. RRKM theory was applied and a late high exit barrier was invoked in order to fit the measured rise time. The structure and binding energy of the van der Waals complex have been modeled using Lennard-Jones type potentials and the results were compared with other systems. The unimolecular side of the potential energy surfaces of this reaction has been investigated by photodissociating acetaldehyde at the same pump energy of 266 nm. The resulting photoproducts, acetyl radical (CH3CO) and formyl radical (HCO), have been monitored by resonance enhanced multiphoton ionization (REMPI) combined with a time-of-flight mass spectrometer. The similarity in the measured evolution times of both radicals indicates the same photodissociation pathway of the parent molecule. The photodissociation rate of acetaldehyde is estimated from RRKM theory to be very fast (3×1012s-1). The T1←S1 intersystem crossing (ISC) rate is found to be the rate determining step to photodissociation and increases with energy. The REMPI mechanism for the production of CH3CO+ is proposed to be the same as that of HCO+(2+1). The HCO product from the photodissociation of formaldehyde at 266 nm reveals a faster T1←S1 ISC rate than in acetaldehyde.
Gao, Hong
The tunable vacuum ultraviolet (VUV) laser generated through the two-photon resonance-enhanced four-wave mixing scheme is combined with the newly developed time-slice velocity map imaging photoion method to study the photodissociation of small molecules in the VUV region, and with the velocity map imaging photoelectron method to study the photoionization of free radicals. The photodissociation dynamics of NO in the energy region around 13.5 eV has been investigated. Branching ratios of the three lowest dissociation channels of 12C 16O that produce C(3P) + O(3P), C( 1D) + O(3P) and C(3P) + O(1D) are measured for the first time in the VUV region from 102,500 cm-1 to 110,500 cm-1, valuable information of the dissociation dynamics for this prototype system has been deduced. We demonstrated an experiment that has two independently tunable VUV lasers and a time-slice velocity map imaging setup, this provides us a global way to perform systematic state-selected photodissociation of small molecules via state-selected detection of the atomic products in the VUV region. The velocity map imaging photoelectron method was successfully used to obtain the photoelectron spectrum of the propargyl radical (C3H3) via a single VUV photoionization process. The propargyl radical is generated by the 193 nm laser photodissociation of the precursor C3H3Cl. This is the first time that the velocity map imaging photoelectron method is used to get the photoelectron spectra of free radicals, indicating that it is a powerful technique for studying the photoionization of free radicals which are always hard to be produced with high enough number densities for spectroscopic studies. This dissertation is mainly based on the following peer-reviewed journal articles: 1. Hong Gao, Yang Pan, Lei Yang, Jingang Zhou, C. Y. Ng and William M. Jackson. "Time-slice velocity-map ion imaging studies of the Photodissociation of NO in the vacuum ultraviolet region", the Journal of Chemical Physics, 136, 134302
Photodissociation and photoisomerization dynamics of CH2=CHCHO in solution
Wu, Weiqiang; Yang, Chunfan; Zhao, Hongmei; Liu, Kunhui; Su, Hongmei
2010-03-01
By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of α,β-enones, acrolein (CH2CHCHO) in CH3CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH3CHCO with a branching ratio of 0.78 and the less important channel is the α cleavage of CH bond yielding radical fragments CH2CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet (ππ ∗)3 state rather than the ground S0 state and the α cleavage of CH bond is more likely to proceed in the singlet S1 (nπ∗)1 state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.
Vacuum ultraviolet photoionization and photodissociation of polyatomic molecules and radicals
Energy Technology Data Exchange (ETDEWEB)
Ng, C.Y. [Iowa State Univ., Ames (United States)
1993-12-01
In the past decade, tremendous progress has been made in understanding the photodissociation (PD) dynamics of triatomic molecules. However, the PD study of radicals, especially polyatomic radicals, has remained essentially an unexplored research area. Detailed state-to-state PD cross sections for radicals in the UV and VUV provide challenges not only for dynamical calculations, but also for ab initio quantum chemical studies. The authors have developed a laser based pump-probe apparatus for the measurement of absolute PD cross sections for CH{sub 3}S and HS is summarized.
Photodissociation and excitation of interstellar molecules
International Nuclear Information System (INIS)
Dishoeck, E.F. van.
1984-01-01
Apart from a rather long introduction containing some elementary astrophysics, quantum chemistry and spectroscopy and an incomplete, historical review of molecular observations, this thesis is divided into three sections. In part A, a rigorous quantum chemical and dynamical study is made of the photodissociation processes in the OH and HCl molecules. In part B, the cross sections obtained in part A are used in various astrophysical problems such as the study of the abundances of the OH and HCl molecules in interstellar clouds, the use of the OH abundance as a measure of the cosmic ray ionization rate, the lifetime of the OH radical in comets and the abundance of OH in the solar photosphere. Part C discusses the excitation of the C 2 molecule under interstellar conditions, its use as a diagnostic probe of the temperature, density and strength of the radiation field in interstellar clouds. Quadrupole moments and oscillator strengths are analyzed. (Auth.)
Isotope effects in photodissociation: Chemical reaction dynamics and implications for atmospheres
DEFF Research Database (Denmark)
Jørgensen, Solvejg; Grage, Mette Marie-Louise; Nyman, Gunnar
2008-01-01
obtaining the absorption and/or photodissociation cross section is a threefold challenge: computing the electronic potential energy surfaces, interpolating the potentials, and finding the cross section either by time-dependent or time-independent methods. We review electronic structure methods used...... for computing accurate potential energy surfaces for the electronic ground and accessible excited state as well as coupling between them (electronic transition dipole moments and diabatic coupling). Methods used for interpolation are discussed. The time-independent methods are based on the reflection principle...
Design of a formaldehyde photodissociation process for carbon and oxygen isotope separation
International Nuclear Information System (INIS)
Stern, R.C.; Scheibner, K.F.
1993-01-01
The current shortage of 18 O has revived interest in using one step UV photodissociation of formaldehyde to enrich 13 C, 17 O and 18 O. The frequency doubled output of the copper laser pumped dye laser system currently in operation at LLNL can be used to drive this dissociation. The authors use a simple kinetics model and their experience with Atomic Vapor Laser Isotope Separation (AVLIS) process design to examine the relative merits of different designs for a formaldehyde photodissociation process. Given values for the molecular photoabsorption cross section, partition function, spectroscopic selectivity, collisional exchange and quenching cross sections (all as parameters), they perform a partial optimization in the space of illuminated area, formaldehyde pressure in each stage, and formaldehyde residence time in each stage. They examine the effect of cascade design (heads and tails staging) on molecule and photon utilization for each of the three isotope separation missions, and look in one case at the system's response to different ratios of laser to formaldehyde costs. Finally, they examine the relative cost of enrichment as a function of isotope and product assay. Emphasis is as much on the process design methodology, which is general, as on the specific application to formaldehyde
Rosenberg, Jake; Parker, W. Ryan; Cammarata, Michael B.; Brodbelt, Jennifer S.
2018-04-01
UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu. UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT. [Figure not available: see fulltext.
Rosenberg, Jake; Parker, W Ryan; Cammarata, Michael B; Brodbelt, Jennifer S
2018-04-06
UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu . UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT . Graphical Abstract.
UV photodissociation spectroscopy of oxidized undecylenic acid films.
Gomez, Anthony L; Park, Jiho; Walser, Maggie L; Lin, Ao; Nizkorodov, Sergey A
2006-03-16
Oxidation of thin multilayered films of undecylenic (10-undecenoic) acid by gaseous ozone was investigated using a combination of spectroscopic and mass spectrometric techniques. The UV absorption spectrum of the oxidized undecylenic acid film is significantly red-shifted compared to that of the initial film. Photolysis of the oxidized film in the tropospheric actinic region (lambda > 295 nm) readily produces formaldehyde and formic acid as gas-phase products. Photodissociation action spectra of the oxidized film suggest that organic peroxides are responsible for the observed photochemical activity. The presence of peroxides is confirmed by mass-spectrometric analysis of the oxidized sample and an iodometric test. Significant polymerization resulting from secondary reactions of Criegee radicals during ozonolysis of the film is observed. The data strongly imply the importance of photochemistry in aging of atmospheric organic aerosol particles.
Study of photodissociation parameters of carboxyhemoglobin
International Nuclear Information System (INIS)
Kuz'min, V V; Salmin, V V; Provorov, A S; Salmina, A B
2008-01-01
The general properties of photodissociation of carboxyhemoglobin (HbCO) in buffer solutions of whole human blood are studied by the flash photolysis method on a setup with intersecting beams. It is shown that the efficiency of photoinduced dissociation of the HbCO complex virtually linearly depends on the photolytic irradiation intensity for the average power density not exceeding 45 mW cm -2 . The general dissociation of the HbCO complex in native conditions occurs in a narrower range of values of the saturation degree than in model experiments with the hemoglobin solution. The dependence of the pulse photolysis efficiency of HbCO on the photolytic radiation wavelength in the range from 550 to 585 nm has a broad bell shape. The efficiency maximum corresponds to the electronic Q transition (porphyrin π-π* absorption) in HbCO at a wavelength of 570 nm. No dissociation of the complex was observed under given experimental conditions upon irradiation of solutions by photolytic radiation at wavelengths above 585 nm. (laser applications and other topics in quantum electronics)
Isotope effects in gas-phase chemical reactions and photodissociation processes: Overview
International Nuclear Information System (INIS)
Kaye, J.A.
1992-01-01
The origins of isotope effects in equilibrium and non-equilibrium chemical processes are reviewed. In non-equilibrium processes, attention is given to isotope effects in simple bimolecular reactions, symmetry-related reactions, and photodissociation processes. Recent examples of isotope effects in these areas are reviewed. Some indication of other scientific areas for which measurements and/or calculations of isotope effects are used is also given. Examples presented focus on neutral molecule chemistry and in many cases complement examples considered in greater detail in the other chapters of this volume
Directory of Open Access Journals (Sweden)
G. D. Wells
1997-03-01
Full Text Available In the past the global, fully coupled, time-dependent mathematical model of the Earth's thermosphere/ionosphere/plasmasphere (CTIP has been unable to reproduce accurately observed values of the maximum plasma frequency, foF2, at extreme geophysical locations such as the Argentine Islands during the summer solstice where the ionosphere remains in sunlight throughout the day. This is probably because the seasonal dependence of thermospheric cooling by 5.3 µm nitric oxide has been neglected and the photodissociation of O2 and heating rate calculations have been over-simplified. Now we have included an up-to-date calculation of the solar EUV and UV thermospheric heating rate, coupled with a new calculation of a diurnally varying O2 photodissociation rate, in the model. Seasonally dependent 5.3 µm nitric oxide cooling is also included. With these important improvements, it is found that model values of foF2 are in substantially better agreement with observation. The height of the F2-peak is reduced throughout the day, but remains within acceptable limits of values derived from observation, except at around 0600 h LT. We also carry out two studies of the sensitivity of the upper atmosphere to changes in the magnitude of nitric oxide cooling and photodissociation rates. We find that hmF2 increases with increased heating, whilst foF2 falls. The converse is true for an increase in the cooling rate. Similarly increasing the photodissociation rate increases both hmF2 and foF2. These changes are explained in terms of changes in the neutral temperature, composition and neutral wind.
Passing waves from atomistic to continuum
Chen, Xiang; Diaz, Adrian; Xiong, Liming; McDowell, David L.; Chen, Youping
2018-02-01
Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic-continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic-continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic-continuum interfaces. This work is the first step towards developing a concurrent atomistic-continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.
Photodissociation of H2+ by a ruby laser with ion energy analysis of ejected H+
International Nuclear Information System (INIS)
Ozenne, J.B.; Pham, D.; Tadjeddine, M.; Durup, J.
1974-01-01
The kinetic energy released in the photodissociation of H 2 + by a ruby laser beam has been measured. The spectrum of the dissociation kinetic energy of H + +H shows several vibrational levels, and after deconvolution due to the energetic and angular resolution of the apparatus, gives a population of those vibrational levels, close to theoretical population [fr
Continuum mechanics of anisotropic materials
Cowin, Stephen C
2013-01-01
Continuum Mechanics of Anisotropic Materials(CMAM) presents an entirely new and unique development of material anisotropy in the context of an appropriate selection and organization of continuum mechanics topics. These features will distinguish this continuum mechanics book from other books on this subject. Textbooks on continuum mechanics are widely employed in engineering education, however, none of them deal specifically with anisotropy in materials. For the audience of Biomedical, Chemical and Civil Engineering students, these materials will be dealt with more frequently and greater accuracy in their analysis will be desired. Continuum Mechanics of Anisotropic Materials' author has been a leader in the field of developing new approaches for the understanding of anisotropic materials.
Iodine photodissociation laser SOFIA with MOPO-HF as a solid-state oscillator
Czech Academy of Sciences Publication Activity Database
Dostál, Jan; Turčičová, Hana; Králiková, Božena; Král, Lukáš; Huynh, J.
2009-01-01
Roč. 97, č. 3 (2009), 687-694 ISSN 0946-2171 R&D Projects: GA ČR GA202/06/0814; GA MŠk(CZ) LC528; GA MŠk LN00A100 Grant - others:EC - 6FP LASERLAB-EUROPE(XE) RII3-CT-2003-506350 Program:FP6 Institutional research plan: CEZ:AV0Z10100523 Keywords : Iodine photodissociation laser * optical parametric amplification * chirped pulse * optical synchronization * stabilization of wavelength and pointing Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.992, year: 2009
DEFF Research Database (Denmark)
Schmidt, Johan Albrecht; Olsen, Jógvan Magnus Haugaard
2014-01-01
The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys.136, 131101 (2012);J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke...
Continuum robots and underactuated grasping
Directory of Open Access Journals (Sweden)
N. Giri
2011-02-01
Full Text Available We discuss the capabilities of continuum (continuous backbone robot structures in the performance of under-actuated grasping. Continuum robots offer the potential of robust grasps over a wide variety of object classes, due to their ability to adapt their shape to interact with the environment via non-local continuum contact conditions. Furthermore, this capability can be achieved with simple, low degree of freedom hardware. However, there are practical issues which currently limit the application of continuum robots to grasping. We discuss these issues and illustrate via an experimental continuum grasping case study.
This paper was presented at the IFToMM/ASME International Workshop on Underactuated Grasping (UG2010, 19 August 2010, Montréal, Canada.
Xie, Changjian; Guo, Hua
2018-01-01
The choice of the active degrees of freedom (DOFs) is a pivotal issue in a reduced-dimensional model of quantum dynamics when a full-dimensional one is not feasible. Here, several five-dimensional (5D) models are used to investigate the nonadiabatic photodissociation dynamics of the hydroxymethyl (CH2OH) radical, which possesses nine internal DOFs, in its lowest absorption band. A normal-mode based scheme is used to identify the active and spectator modes, and its predictions are confirmed by 5D quantum dynamical calculations. Our results underscore the important role of the CO stretching mode in the photodissociation dynamics of CH2OH, originating from the photo-induced promotion of an electron from the half-occupied π*CO antibonding orbital to a carbon Rydberg orbital.
Spencer, A J M
2004-01-01
The mechanics of fluids and the mechanics of solids represent the two major areas of physics and applied mathematics that meet in continuum mechanics, a field that forms the foundation of civil and mechanical engineering. This unified approach to the teaching of fluid and solid mechanics focuses on the general mechanical principles that apply to all materials. Students who have familiarized themselves with the basic principles can go on to specialize in any of the different branches of continuum mechanics. This text opens with introductory chapters on matrix algebra, vectors and Cartesian ten
Continuum limbed robots for locomotion
Mutlu, Alper
This thesis focuses on continuum robots based on pneumatic muscle technology. We introduce a novel approach to use these muscles as limbs of lightweight legged robots. The flexibility of the continuum legs of these robots offers the potential to perform some duties that are not possible with classical rigid-link robots. Potential applications are as space robots in low gravity, and as cave explorer robots. The thesis covers the fabrication process of continuum pneumatic muscles and limbs. It also provides some new experimental data on this technology. Afterwards, the designs of two different novel continuum robots - one tripod, one quadruped - are introduced. Experimental data from tests using the robots is provided. The experimental results are the first published example of locomotion with tripod and quadruped continuum legged robots. Finally, discussion of the results and how far this technology can go forward is presented.
Fast beam studies of free radical photodissociation
Energy Technology Data Exchange (ETDEWEB)
Cyr, Douglas Robert [Univ. of California, Berkeley, CA (United States)
1993-11-01
The photodissociation of free radicals is studied in order to characterize the spectroscopy and dissociation dynamics of the dissociative electronic states in these species. To accomplish this, a novel method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with a highly complementary form of photofragment translational spectroscopy. The optical spectroscopy of transitions to dissociative states is determined by monitoring the total photofragment yield as a function of dissociation photon energy. Branching ratios to various product channels, internal energy distributions of the fragments, bond dissociation energies, and the translational energy-dependent photofragment recoil angular distributions are then determined at selected excitation energies. A detailed picture of the dissociation dynamics can then be formulated, allowing insight concerning the interactions of potential energy surfaces involved in the dissociation. After an introduction to the concepts and techniques mentioned above, the experimental apparatus used in these experiments is described in detail. The basis and methods used in the treatment of data, especially in the dissociation dynamics experiments, are then put forward.
Fast beam studies of free radical photodissociation
International Nuclear Information System (INIS)
Cyr, D.R.; California Univ., Berkeley, CA
1993-11-01
The photodissociation of free radicals is studied in order to characterize the spectroscopy and dissociation dynamics of the dissociative electronic states in these species. To accomplish this, a novel method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with a highly complementary form of photofragment translational spectroscopy. The optical spectroscopy of transitions to dissociative states is determined by monitoring the total photofragment yield as a function of dissociation photon energy. Branching ratios to various product channels, internal energy distributions of the fragments, bond dissociation energies, and the translational energy-dependent photofragment recoil angular distributions are then determined at selected excitation energies. A detailed picture of the dissociation dynamics can then be formulated, allowing insight concerning the interactions of potential energy surfaces involved in the dissociation. After an introduction to the concepts and techniques mentioned above, the experimental apparatus used in these experiments is described in detail. The basis and methods used in the treatment of data, especially in the dissociation dynamics experiments, are then put forward
Kawade, Monali N.; Saha, Ankur; Upadhyaya, Hari P.; Kumar, Awadhesh; Naik, Prakash D.
2014-10-01
Photodissociation of 2-chloro-6-nitrotoluene (ClNT) at 193, 248 and 266 nm and nitrocyclopentane (NCP) at 193 nm leads to the formation of OH, as detected by laser-induced fluorescence (LIF). The nascent OH produced from the photolysis of ClNT at all the wavelengths is vibrationally cold, with the Boltzmann type rotational state distributions. However, the nascent OH product from NCP is in the ground and vibrationally excited states with the measured average relative population in ν″ = 1 to that in ν″ = 0 of 0.12 ± 0.03, and these levels are characterized by rotational temperatures of 650 ± 180 K and 1570 ± 90 K, respectively. The translational energy partitioned in the OH fragment has been measured for photodissociation of both ClNT and NCP. On the basis of both the experimental results and the ground state molecular orbital (MO) calculations, a plausible mechanism for the OH formation has been proposed.
The Virtuality Continuum Revisited
Nijholt, Antinus; Traum, D.; Zhai, Sh.; Kellogg, W.
2005-01-01
We survey the themes and the aims of a workshop devoted to the state-of-the-art virtuality continuum. In this continuum, ranging from fully virtual to real physical environments, allowing for mixed, augmented and desktop virtual reality, several perspectives can be taken. Originally, the emphasis
International Nuclear Information System (INIS)
Venkataraman, B.; Hou, H.; Zhang, Z.; Chen, S.; Bandukwalla, G.; Vernon, M.
1990-01-01
Photodissociation of the group VIB (Cr,Mo,W) hexacarbonyls has been studied at 248 nm using molecular beam photofragment spectroscopy. One, two and three photon processes have been observed. Analysis of the product velocity distributions shows that the photodissociation mechanism consists of sequential CO eliminations with the nth photon channel best described as the single photon photodissociation of the stable products of the n-1st photon channel. The product translational energy distribution for the first CO elimination step is quantitatively similar for all three hexacarbonyls and characteristic of a repulsive translational energy release. The product translational energy distributions of all subsequent CO elimination steps are accurately described by a simple, microcanonical model. Qualitative molecular orbital considerations suggest that the large product translational energy observed in the first CO elimination step results from a repulsive σ interaction between the closed shell CO ligand and an excited molecular orbital which has a significant admixture of metal (n+1)p z , (n+1)s and nd z 2 orbitals. This repulsive interaction is absent in the remaining CO elimination steps because there are vacancies in the coordination shell along the z axis
Czech Academy of Sciences Publication Activity Database
Shaffer, C. J.; Martens, J.; Marek, Aleš; Oomens, J.; Tureček, F.
2016-01-01
Roč. 27, č. 7 (2016), s. 1176-1185 ISSN 1044-0305 Institutional support: RVO:61388963 Keywords : peptide ions * electron transfer dissociation * photoleucine label * near-UV photodissociation * infrared multiphoton dissociation action spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.786, year: 2016
International Nuclear Information System (INIS)
Lee, H.; Wu, C.-Y.; Yang, S.K.; Lee, Y.-P.
2005-01-01
Following photodissociation of formyl fluoride (HFCO) at 193 nm, we detected products with fragmentation translational spectroscopy utilizing a tunable vacuum ultraviolet beam from a synchrotron for ionization. Among three primary dissociation channels observed in this work, the F-elimination channel HFCO→HCO+F dominates, with a branching ratio ∼0.66 and an average release of kinetic energy ∼55 kJ mol -1 ; about 17% of HCO further decomposes to H+CO. The H-elimination channel HFCO→FCO+H has a branching ratio ∼0.28 and an average release of kinetic energy ∼99 kJ mol -1 ; about 21% of FCO further decomposes to F+CO. The F-elimination channel likely proceeds via the S 1 surface whereas the H-elimination channel proceeds via the T 1 surface; both channels exhibit moderate barriers for dissociation. The molecular HF-elimination channel HFCO→HF+CO, correlating with the ground electronic surface, has a branching ratio of only ∼0.06; the average translational release of 93 kJ mol -1 , ∼15% of available energy, implies that the fragments are highly internally excited. Detailed mechanisms of photodissociation are discussed
An alternative laser driven photodissociation mechanism of pyrrole via π*1σ/S0 conical intersection
Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.
2017-06-01
A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S0-1π σ*(A12) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the π*1σ state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the π*1σ photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.
Chaves, Eduardo W V
2013-01-01
This publication is aimed at students, teachers, and researchers of Continuum Mechanics and focused extensively on stating and developing Initial Boundary Value equations used to solve physical problems. With respect to notation, the tensorial, indicial and Voigt notations have been used indiscriminately. The book is divided into twelve chapters with the following topics: Tensors, Continuum Kinematics, Stress, The Objectivity of Tensors, The Fundamental Equations of Continuum Mechanics, An Introduction to Constitutive Equations, Linear Elasticity, Hyperelasticity, Plasticity (small and large deformations), Thermoelasticity (small and large deformations), Damage Mechanics (small and large deformations), and An Introduction to Fluids. Moreover, the text is supplemented with over 280 figures, over 100 solved problems, and 130 references.
Changing public stigma with continuum beliefs.
Corrigan, Patrick W; Schmidt, Annie; Bink, Andrea B; Nieweglowski, Katherine; Al-Khouja, Maya A; Qin, Sang; Discont, Steve
2017-10-01
Given the egregious effect of public stigma on the lives of people with mental illness, researchers have sought to unpack and identify effective components of anti-stigma programs. We expect to show that continuum messages have more positive effect on stigma and affirming attitudes (beliefs that people with mental illness recover and should be personally empowered) than categorical perspectives. The effect of continuum beliefs will interact with contact strategies. A total of 598 research participants were randomly assigned to online presentations representing one of the six conditions: three messages (continuum, categorical, or neutral control) by two processes (education or contact). Participants completed measures of continuum beliefs (as a manipulation check), stigma and affirming attitudes after viewing the condition. Continuum messages had significantly better effect on views that people with mental illness are "different," a finding that interacted with contact. Continuum messages also had better effects on recovery beliefs, once again an effect that interacted significantly with contact. Implications of these findings for improving anti-stigma programs are discussed.
Theoretical study of ultraviolet induced photodissociation dynamics of sulfuric acid
Energy Technology Data Exchange (ETDEWEB)
Murakami, Tatsuhiro; Ohta, Ayumi; Suzuki, Tomoya; Ikeda, Kumiko [Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, 7-1 Kioi-Cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Danielache, Sebastian O. [Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, 7-1 Kioi-Cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Earth-Life Science Institute (ELSI), Tokyo Institute of Technology (Japan); Department of Environmental Science and Techonology, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Yoohama 226-8502 (Japan); Nanbu, Shinkoh, E-mail: shinkoh.nanbu@sophia.ac.jp [Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, 7-1 Kioi-Cho, Chiyoda-ku, Tokyo 102-8554 (Japan)
2015-05-01
Highlights: • Photodissociation dynamics of H{sub 2}SO{sub 4} at low-lying electronically excited states were investigated. • Photochemical processes were simulated by on-the-fly ab initio MD. • Sulfuric acid after the excitation to the S{sub 1} state dissociated to HSO{sub 4}(1{sup 2}A″) + H({sup 2}S). • Sulfuric acid after the excitation to the S{sub 2} state dissociated to HSO{sub 4}(2{sup 2}A″) + H({sup 2}S). • The energy region of the UV spectra where NMD fractionation may occur is predicted. - Abstract: Photodissociation dynamics of sulfuric acid after excitation to the first and second excited states (S{sub 1} and S{sub 2}) were studied by an on-the-fly ab initio molecular dynamics simulations based on the Zhu–Nakamura version of the trajectory surface hopping (ZN-TSH). Forces acting on the nuclear motion were computed on-the-fly by CASSCF method with Dunning’s augmented cc-pVDZ basis set. It was newly found that the parent molecule dissociated into two reaction-channels (i) HSO{sub 4}(1{sup 2}A″) + H({sup 2}S) by S{sub 1}-excitation, and (ii) HSO{sub 4}(2{sup 2}A″) + H({sup 2}S) by S{sub 2}-excitation. The direct dissociation dynamics yield products different from the SO{sub 2} + 2OH fragments often presented in the literature. Both channels result in the same product and differs only in the electronic state of the HSO{sub 4} fragment{sub .} The trajectories running on S{sub 2} do not hop with S{sub 0} and a nonadiabatic transition happens at the S{sub 2}–S{sub 1} conical intersection located at a longer OH bond-length than the S{sub 1}–S{sub 0} intersection producing an electronic excited state (2{sup 2}A″) of HSO{sub 4} product.
International Nuclear Information System (INIS)
Slavicek, Petr; Jungwirth, Pavel; Lewerenz, Marius; Nahler, N. Hendrik; Farnik, Michal; Buck, Udo
2004-01-01
A set of photodissociation experiments and simulations of hydrogen iodide (HI) on Ar n clusters, with an average size =139, has been carried out for different laser polarizations. The doped clusters are prepared by a pick-up process. The HI molecule is then photodissociated by a UV laser pulse and the outgoing H fragment is ionized by resonance enhanced multiphoton ionization in a (2+1) excitation scheme within the same laser pulse at the wavelength of 243 nm. The measured time-of-flight spectra are transformed into hydrogen kinetic energy distributions. They exhibit a strong fraction of caged H atoms at zero-kinetic energy and peaks at the unperturbed cage exit for both spin-orbit channels nearly independent of the polarization. At this dissociation wavelength, the bare HI molecule exhibits a strict state separation, with a parallel transition to the spin-orbit excited state and perpendicular transitions to the ground state. The experimental results have been reproduced using molecular simulation techniques. Classical molecular dynamics was used to estimate the HI dopant distribution after the pick-up procedure. Subsequently, quasi-classical molecular dynamics (Wigner trajectories approach) has been applied for the photodissociation dynamics. The following main results have been obtained: (i) The HI dopant lands on the surface of the argon cluster during the pick-up process, (ii) zero-point energy plays a dominant role for the hydrogen orientation in the ground state of HI-Ar n surface clusters, qualitatively changing the result of the photodissociation experiment upon increasing the number of argon atoms, and, finally, (iii) the scattering of hydrogen atoms from the cage which originate from different dissociation states seriously affects the experimentally measured kinetic energy distributions
Extension versus Bending for Continuum Robots
Directory of Open Access Journals (Sweden)
George Grimes
2008-11-01
Full Text Available In this paper, we analyze the capabilities of a novel class of continuous-backbone ("continuum" robots. These robots are inspired by biological "trunks, and tentacles". However, the capabilities of established continuum robot designs, which feature controlled bending but not extension, fall short of those of their biological counterparts. In this paper, we argue that the addition of controlled extension provides dual and complementary functionality, and correspondingly enhanced performance, in continuum robots. We present an interval-based analysis to show how the inclusion of controllable extension significantly enhances the workspace and capabilities of continuum robots.
The photodissociation of 8B and the solar neutrino problem
International Nuclear Information System (INIS)
Bertulani, C.A.
1995-01-01
The extraction of the photodissociation cross sections of 8 B from Coulomb dissociation experiments is investigated. A careful study is done on the contributions of the E1, E2 and M1 multipolarities to the breakup. A comparison with the data of a recent experiment is performed. It is shown that the extraction of the radiative capture cross sections 7 Be(p, γ) 8 B which are relevant for the solar neutrino problem is not affected appreciably by Coulomb reacceleration. A non-perturbative model is used for the purpose. Emphasis is put on the perspectives for future experiments which are planned at the University of Notre Dame, RIKEN (Japan), and GSI (Germany). An analysis of the total yields of ''photon-point'' processes in inelastic electron scattering is also done. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Harrison, Aaron W.; Ryazanov, Mikhail; Sullivan, Erin N.; Neumark, Daniel M., E-mail: dneumark@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2016-07-14
The photodissociation dynamics of the methyl perthiyl radical (CH{sub 3}SS) have been investigated using fast-beam coincidence translational spectroscopy. Methyl perthiyl radicals were produced by photodetachment of the CH{sub 3}SS{sup −} anion followed by photodissociation at 248 nm (5.0 eV) and 193 nm (6.4 eV). Photofragment mass distributions and translational energy distributions were measured at each dissociation wavelength. Experimental results show S atom loss as the dominant (96%) dissociation channel at 248 nm with a near parallel, anisotropic angular distribution and translational energy peaking near the maximal energy available to ground state CH{sub 3}S and S fragments, indicating that the dissociation occurs along a repulsive excited state. At 193 nm, S atom loss remains the major fragmentation channel, although S{sub 2} loss becomes more competitive and constitutes 32% of the fragmentation. The translational energy distributions for both channels are very broad at this wavelength, suggesting the formation of the S{sub 2} and S atom products in several excited electronic states.
An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection.
Nandipati, K R; Lan, Z; Singh, H; Mahapatra, S
2017-06-07
A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S 0 - 1 πσ * (A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.
Photodissociation dynamics of CH3C(O)SH in argon matrix: A QM/MM nonadiabatic dynamics simulation
Xia, Shu-Hua; Liu, Xiang-Yang; Fang, Qiu; Cui, Ganglong
2015-11-01
In this work, we have first employed the combined quantum mechanics/molecular mechanics (QM/MM) method to study the photodissociation mechanism of thioacetic acid CH3C(O)SH in the S1, T1, and S0 states in argon matrix. CH3C(O)SH is treated quantum mechanically using the complete active space self-consistent field and complete active space second-order perturbation theory methods; argon matrix is described classically using Lennard-Jones potentials. We find that the C-S bond fission is predominant due to its small barriers of ca. 3.0 and 1.0 kcal/mol in the S1 and T1 states. It completely suppresses the nearby C—C bond fission. After the bond fission, the S1 radical pair of CH3CO and SH can decay to the S0 and T1 states via internal conversion and intersystem crossing, respectively. In the S0 state, the radical pair can either recombine to form CH3C(O)SH or proceed to form molecular products of CH2CO and H2S. We have further employed our recently developed QM/MM generalized trajectory-based surface-hopping method to simulate the photodissociation dynamics of CH3C(O)SH. In 1 ps dynamics simulation, 56% trajectories stay at the Franck-Condon region; the S1 C—S bond fission takes place in the remaining 44% trajectories. Among all nonadiabatic transitions, the S1 → S0 internal conversion is major (55%) but the S1 → T1 intersystem crossing is still comparable and cannot be ignored, which accounts for 28%. Finally, we have found a radical channel generating the molecular products of CH2CO and H2S, which is complementary to the concerted molecular channel. The present work sets the stage for simulating photodissociation dynamics of similar thio-carbonyl systems in matrix.
International Nuclear Information System (INIS)
Bitencourt, Ana Carla P; Prudente, Frederico V; Vianna, Jose David M
2007-01-01
We propose a new numerically optimized discrete variable representation using eigenstates of diabatic Hamiltonians. This procedure provides an efficient method to solve non-adiabatic coupling problems since the generated basis sets take into account information on the diabatic potentials. The method is applied to the B 1 Σ + - D' 1 Σ + Rydberg-valence predissociation interaction in the CO molecule. Here we give an account of the discrete variable representation and present the procedure for the calculation of its optimized version, which we apply to obtain the total photodissociation cross sections of the CO molecule
Continuum emission in the 1980 July 1 solar flare
International Nuclear Information System (INIS)
Zirin, H.; Neidig, D.F.
1981-01-01
Comparison of continuum measurements of the 1980 July 1 flare at Big Bear Solar Observatory and Sacramento Peak Observatory show strong blue emission kernels with the ratio of Balmer continuum (Bac):lambda3862 continuum:continuum above 4275 A to be about 10:5:1. The blue continuum at 3862 A is too strong to be explained by unresolved lines. The Bac intensity was 2.5 times the photosphere and the strongest lambda3862 continuum was 2 times the photosphere. The brightest continuum kernel occurred late in the flare, after the hard X-ray peak and related in time to an isolated peak in the 2.2 MeV line, suggesting that the continuum was excited by protons above 20 MeV
The continuum of behavior guidance.
Nelson, Travis
2013-01-01
Behavior guidance is a continuum of techniques, basic and advanced, fundamental to the provision of quality dental care for pediatric patients. This practice must be individualized, pairing the correct method of behavior guidance with each child. To select the appropriate technique, the clinician must have a thorough understanding of each aspect of the continuum and anticipate parental expectations, child temperament, and the technical procedures necessary to complete care. By effectively using techniques within the continuum of behavior guidance, a healing relationship with the family is maintained while addressing dental disease and empowering the child to receive dental treatment throughout their lifetime. Copyright © 2013 Elsevier Inc. All rights reserved.
Potential energy surface from spectroscopic data in the photodissociation of polyatomic molecules
International Nuclear Information System (INIS)
Kim, Hwa Joong; Kim, Young Sik
2001-01-01
The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO 2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-dependent inversion method and discussed several extensions of the algorithm
Performance-based shape optimization of continuum structures
International Nuclear Information System (INIS)
Liang Qingquan
2010-01-01
This paper presents a performance-based optimization (PBO) method for optimal shape design of continuum structures with stiffness constraints. Performance-based design concepts are incorporated in the shape optimization theory to achieve optimal designs. In the PBO method, the traditional shape optimization problem of minimizing the weight of a continuum structure with displacement or mean compliance constraints is transformed to the problem of maximizing the performance of the structure. The optimal shape of a continuum structure is obtained by gradually eliminating inefficient finite elements from the structure until its performance is maximized. Performance indices are employed to monitor the performance of optimized shapes in an optimization process. Performance-based optimality criteria are incorporated in the PBO method to identify the optimum from the optimization process. The PBO method is used to produce optimal shapes of plane stress continuum structures and plates in bending. Benchmark numerical results are provided to demonstrate the effectiveness of the PBO method for generating the maximum stiffness shape design of continuum structures. It is shown that the PBO method developed overcomes the limitations of traditional shape optimization methods in optimal design of continuum structures. Performance-based optimality criteria presented can be incorporated in any shape and topology optimization methods to obtain optimal designs of continuum structures.
Area Regge calculus and continuum limit
International Nuclear Information System (INIS)
Khatsymovsky, V.M.
2002-01-01
Encountered in the literature generalisations of general relativity to independent area variables are considered, the discrete (generalised Regge calculus) and continuum ones. The generalised Regge calculus can be either with purely area variables or, as we suggest, with area tensor-connection variables. Just for the latter, in particular, we prove that in analogy with corresponding statement in ordinary Regge calculus (by Feinberg, Friedberg, Lee and Ren), passing to the (appropriately defined) continuum limit yields the generalised continuum area tensor-connection general relativity
Schrödinger–Langevin equation with quantum trajectories for photodissociation dynamics
Energy Technology Data Exchange (ETDEWEB)
Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw
2017-02-15
The Schrödinger–Langevin equation is integrated to study the wave packet dynamics of quantum systems subject to frictional effects by propagating an ensemble of quantum trajectories. The equations of motion for the complex action and quantum trajectories are derived from the Schrödinger–Langevin equation. The moving least squares approach is used to evaluate the spatial derivatives of the complex action required for the integration of the equations of motion. Computational results are presented and analyzed for the evolution of a free Gaussian wave packet, a two-dimensional barrier model, and the photodissociation dynamics of NOCl. The absorption spectrum of NOCl obtained from the Schrödinger–Langevin equation displays a redshift when frictional effects increase. This computational result agrees qualitatively with the experimental results in the solution-phase photochemistry of NOCl.
Photodissociative Cross-Linking of Non-covalent Peptide-Peptide Ion Complexes in the Gas Phase
Nguyen, Huong T. H.; Andrikopoulos, Prokopis C.; Rulíšek, Lubomír; Shaffer, Christopher J.; Tureček, František
2018-05-01
We report a gas-phase UV photodissociation study investigating non-covalent interactions between neutral hydrophobic pentapeptides and peptide ions incorporating a diazirine-tagged photoleucine residue. Phenylalanine (Phe) and proline (Pro) were chosen as the conformation-affecting residues that were incorporated into a small library of neutral pentapeptides. Gas-phase ion-molecule complexes of these peptides with photo-labeled pentapeptides were subjected to photodissociation. Selective photocleavage of the diazirine ring at 355 nm formed short-lived carbene intermediates that underwent cross-linking by insertion into H-X bonds of the target peptide. The cross-link positions were established from collision-induced dissociation tandem mass spectra (CID-MS3) providing sequence information on the covalent adducts. Effects of the amino acid residue (Pro or Phe) and its position in the target peptide sequence were evaluated. For proline-containing peptides, interactions resulting in covalent cross-links in these complexes became more prominent as proline was moved towards the C-terminus of the target peptide sequence. The photocross-linking yields of phenylalanine-containing peptides depended on the position of both phenylalanine and photoleucine. Density functional theory calculations were used to assign structures of low-energy conformers of the (GLPMG + GLL*LK + H)+ complex. Born-Oppenheimer molecular dynamics trajectory calculations were used to capture the thermal motion in the complexes within 100 ps and determine close contacts between the incipient carbene and the H-X bonds in the target peptide. This provided atomic-level resolution of potential cross-links that aided spectra interpretation and was in agreement with experimental data. [Figure not available: see fulltext.
Continuum mechanics of single-substance bodies
Eringen, A Cemal
1975-01-01
Continuum Physics, Volume II: Continuum Mechanics of Single-Substance Bodies discusses the continuum mechanics of bodies constituted by a single substance, providing a thorough and precise presentation of exact theories that have evolved during the past years. This book consists of three parts-basic principles, constitutive equations for simple materials, and methods of solution. Part I of this publication is devoted to a discussion of basic principles irrespective of material geometry and constitution that are valid for all kinds of substances, including composites. The geometrical notions, k
Directory of Open Access Journals (Sweden)
Tan Teck-Hong
2011-01-01
Full Text Available This paper examines what motivates employees in the retail industry, and examines their level of job satisfaction, using Herzberg's hygiene factors and motivators. In this study, convenience sampling was used to select sales personnel from women's clothing stores in Bandar Sunway shopping mall in the state of Selangor. The results show that hygiene factors were the dominant motivators of sales personnel job satisfaction. Working conditions were the most significant in motivating sales personnel. Recognition was second, followed by company policy and salary. There is a need to delve more deeply into why salespeople place such a high importance on money. Further analysis was performed to assess how much the love of money mediates the relationship between salary and job satisfaction. Based on the general test for mediation, the love of money could explain the relationship between salary and job satisfaction. The main implication of this study is that sales personnel who value money highly are satisfied with their salary and job when they receive a raise.
Energy Technology Data Exchange (ETDEWEB)
Xia, Shu-Hua; Liu, Xiang-Yang; Fang, Qiu; Cui, Ganglong, E-mail: ganglong.cui@bnu.edu.cn [Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875 (China)
2015-11-21
In this work, we have first employed the combined quantum mechanics/molecular mechanics (QM/MM) method to study the photodissociation mechanism of thioacetic acid CH{sub 3}C(O)SH in the S{sub 1}, T{sub 1}, and S{sub 0} states in argon matrix. CH{sub 3}C(O)SH is treated quantum mechanically using the complete active space self-consistent field and complete active space second-order perturbation theory methods; argon matrix is described classically using Lennard-Jones potentials. We find that the C-S bond fission is predominant due to its small barriers of ca. 3.0 and 1.0 kcal/mol in the S{sub 1} and T{sub 1} states. It completely suppresses the nearby C—C bond fission. After the bond fission, the S{sub 1} radical pair of CH{sub 3}CO and SH can decay to the S{sub 0} and T{sub 1} states via internal conversion and intersystem crossing, respectively. In the S{sub 0} state, the radical pair can either recombine to form CH{sub 3}C(O)SH or proceed to form molecular products of CH{sub 2}CO and H{sub 2}S. We have further employed our recently developed QM/MM generalized trajectory-based surface-hopping method to simulate the photodissociation dynamics of CH{sub 3}C(O)SH. In 1 ps dynamics simulation, 56% trajectories stay at the Franck-Condon region; the S{sub 1} C—S bond fission takes place in the remaining 44% trajectories. Among all nonadiabatic transitions, the S{sub 1} → S{sub 0} internal conversion is major (55%) but the S{sub 1} → T{sub 1} intersystem crossing is still comparable and cannot be ignored, which accounts for 28%. Finally, we have found a radical channel generating the molecular products of CH{sub 2}CO and H{sub 2}S, which is complementary to the concerted molecular channel. The present work sets the stage for simulating photodissociation dynamics of similar thio-carbonyl systems in matrix.
Continuum of eLearning: 2012 Project Summary Report
2012-10-01
multimedia, and Continuum of eLearning | Purpose and Vision 19 << UNCLASSIFIED>> (limited) situated learning. Future versions of the CoL self-paced...Continuum of eLearning : 2012 Project Summary Report Continuum of eLearning The Next Evolution of Joint Training on JKO October 2012 Joint...Technical Report November 2011 – August 2012 Continuum of eLearning : 2012 Project Summary Report N00140-06-D-0060 David T. Fautua, Sae Schatz, Andrea
International Nuclear Information System (INIS)
Lev, U; Prabhudesai, V; Natan, A; Bruner, B; Diner, A; Heber, O; Strasser, D; Schwalm, D; Silberberg, Y; Zajfman, D; Ben-Itzhak, I; Hua, J J; Esry, B D
2009-01-01
H 2 + photodissociation, induced by intense short laser pulses, was measured by a full 3D imaging system. We have conducted a series of experiments, in which we systematically changed the linear chirp, using a pulse shaper, and observed the kinetic energy release spectra(KER). Distinct differences in the KER spectra are observed both in peak positions and angular distribution for laser pulses with similar duration and intensity but opposite chirp sign.
Continuum spectra in light-ion reactions
Energy Technology Data Exchange (ETDEWEB)
Tamura, T.; Udagawa, T. [Texas Univ., Austin (USA). Dept. of Physics; Ikegami, H.; Muraoka, M [eds.
1980-01-01
Recent developments in the use of multi-step direct reaction method, to fit continuum cross sections of light-ion reactions, are reviewed. There has been a long-standing difficulty in reproducing sufficiently large (p, p') continuum cross section, but it has now been all but removed. It will be discussed in some detail, how this was achieved. Analyses of very recent data on analyzing powers in the continuum of (p, p') and (p, ..cap alpha..) reactions will also be discussed. Finally, analysis of the breakup of h into d and p will be presented.
Giant resonances in the deformed continuum
International Nuclear Information System (INIS)
Nakatsukasa, T.; Yabana, K.
2004-01-01
Giant resonances in the continuum for deformed nuclei are studied with the time-dependent Hartree-Fock (TDHF) theory in real time and real space. The continuum effect is effectively taken into account by introducing a complex Absorbing Boundary Condition (ABC). (orig.)
Fundamentals of continuum mechanics
Rudnicki, John W
2014-01-01
A concise introductory course text on continuum mechanics Fundamentals of Continuum Mechanics focuses on the fundamentals of the subject and provides the background for formulation of numerical methods for large deformations and a wide range of material behaviours. It aims to provide the foundations for further study, not just of these subjects, but also the formulations for much more complex material behaviour and their implementation computationally. This book is divided into 5 parts, covering mathematical preliminaries, stress, motion and deformation, balance of mass, momentum and energ
Introduction to continuum mechanics
Lai, W Michael; Rubin, David
1996-01-01
Introduction to Continuum Mechanics is a recently updated and revised text which is perfect for either introductory courses in an undergraduate engineering curriculum or for a beginning graduate course.Continuum Mechanics studies the response of materials to different loading conditions. The concept of tensors is introduced through the idea of linear transformation in a self-contained chapter, and the interrelation of direct notation, indicial notation, and matrix operations is clearly presented. A wide range of idealized materials are considered through simple static and dynamic problems, a
Karabinos, Michael Joseph
2015-01-01
This dissertation tests the universal suitability of the records continuum model by using two cases from the decolonization of Southeast Asia. The continuum model is a new model of records visualization invented in the 1990s that sees records as free to move throughout four ‘dimensions’ rather than
Photodissociation spectroscopy of the Mg + -CO2 complex and its isotopic analogs
Yeh, C. S.; Willey, K. F.; Robbins, D. L.; Pilgrim, J. S.; Duncan, M. A.
1993-02-01
Mg+-CO2 ion-molecule cluster complexes are produced by laser vaporization in a pulsed nozzle cluster source. The vibronic spectroscopy in these complexes is studied with mass-selected photodissociation spectroscopy in a reflectron time-of-flight mass spectrometer. Two excited electronic states are observed (2) 2Σ+ and 2Π. The 2Π state has a vibrational progression in the metal-CO2 stretching mode (ωe'=381.8 cm-1). The complexes are linear (Mg+-OCO) and are bound by the charge-quadrupole interaction. The dissociation energy (D0`) is 14.7 kcal/mol. Corresponding spectra are measured for each of the 24, 25, and 26 isotopes of magnesium. These results are compared to theoretical predictions made by Bauschlicher and co-workers.
Elementary Continuum Mechanics for Everyone - and Some More
DEFF Research Database (Denmark)
Byskov, Esben
Quite trivially, Continuum mechanics per se deals with the description of deformations of three-dimensional continua i.e. models whose properties are independent of scale in that the continuum does not possess a structure. Thus, continuum mechanics does not try to model the atomic structure...
Elementary Continuum Mechanics for Everyone - And Some More
DEFF Research Database (Denmark)
Byskov, Esben
Quite trivially, Continuum mechanics per se deals with the description of deformations of three-dimensional continua i.e. models whose properties are independent of scale in that the continuum does not possess a structure. Thus, continuum mechanics does not try to model the atomic structure...
Continuum capture in the three-body problem
International Nuclear Information System (INIS)
Sellin, I.A.
1980-01-01
The three-body problem, especially the problem of electron capture to the continuum in heavy particle collisions is reviewed. Major topics covered include: second born-induced asymmetry in electron capture to the continuum; historical context, links to other tests of atomic scattering theory; experiments characterizing the velocity distribution of ECC electrons; other atomic physics tests of high velocity Born expansions; atom capture; capture by positrons; and pion capture to the continuum
Photodissociation of ethylbenzene and n-propylbenzene in a molecular beam
Huang, Cheng-Liang; Jiang, Jyh-Chiang; Lee, Yuan T.; Ni, Chi-Kung
2002-10-01
The photodissociation of jet-cooled ethylbenzene and n-propylbenzene at both 193 and 248 nm was studied using vacuum ultraviolet photoionization/multimass ion imaging techniques. The photofragment translational energy distributions from both the molecules obtained at 193 nm show that the probability of portioning energy to product translational energy decreases monotonically with increasing translational energy. They indicate that the dissociation occurs from the ground electronic state. However, the photofragment translational energy distributions from both molecules obtained at 248 nm contain a fast and a slow component. 75% of ethylbenzene and 80% of n-propylbenzene following the 248 nm photoexcitation dissociate from electronic excited state, resulting in the fast component. The remaining 25% of ethylbenzene and 20% of n-propylbenzene dissociate through the ground electronic state, giving rise to the slow component. A comparison with an ab initio calculation suggests that the dissociation from the first triplet state corresponds to the fast component in translational energy distribution.
Computational Continuum Mechanics
Shabana, Ahmed A
2011-01-01
This text presents the theory of continuum mechanics using computational methods. Ideal for students and researchers, the second edition features a new chapter on computational geometry and finite element analysis.
Points-Based Safe Path Planning of Continuum Robots
Directory of Open Access Journals (Sweden)
Khuram Shahzad
2015-07-01
Full Text Available Continuum robots exhibit great potential in a number of challenging applications where traditional rigid link robots pose certain limitations, e.g., working in unstructured environments. In order to enable the usage of continuum robots in safety-critical applications, such as surgery and nuclear decontamination, it is extremely important to ensure a safe path for the robot's movement. Existing algorithms for continuum robot path planning have certain limitations that need to be addressed. These include the fact that none of the algorithms provide safety assurance parameters and control for path planning. They are computationally expensive, applicable to a specific type of continuum robots, and mostly they do not incorporate design and kinematics constraints. In this paper, we propose a points-based path planning (PoPP algorithm for continuum robots that computes the path by imposing safety constraints and improves upon the limitations of existing approaches. In the algorithm, we exploit the constant curvature-bending property of continuum robots in their path planning process. The algorithm is computationally efficient and provides a good tradeoff between accuracy and efficiency that can be implemented to enable the safety-critical application of continuum robots. This algorithm also provides information regarding path volume and flexibility in movement. Simulation results confirm that the algorithm possesses promising potential for all types of continuum robots (following the constant curvature-bending property. We believe that this effectively balances the desired safety and efficiency requirements.
Broderick, Bernadette M; Suas-David, Nicolas; Dias, Nureshan; Suits, Arthur G
2018-02-21
Isomer-specific detection and product branching fractions in the UV photodissociation of the propargyl radical is achieved through the use of chirped-pulse Fourier-transform mm-wave spectroscopy in a pulsed quasi-uniform flow (CPUF). Propargyl radicals are produced in the 193 nm photodissociation of 1,2-butadiene. Absorption of a second photon leads to H atom elimination giving three possible C 3 H 2 isomers: singlets cyclopropenylidene (c-C 3 H 2 ) and propadienylidene (l-C 3 H 2 ), and triplet propargylene ( 3 HCCCH). The singlet products and their appearance kinetics in the flow are directly determined by rotational spectroscopy, but due to the negligible dipole moment of propargylene, it is not directly monitored. However, we exploit the time-dependent kinetics of H-atom catalyzed isomerization to infer the branching to propargylene as well. We obtain the overall branching among H loss channels to be 2.9% (+1.1/-0.5) l-C 3 H 2 + H, 16.8% (+3.2/-1.3) c-C 3 H 2 + H, and 80.2 (+1.8/-4.2) 3 HCCCH + H. Our findings are qualitatively consistent with earlier RRKM calculations in that the major channel in the photodissociation of the propargyl radical at 193 nm is to 3 HCCCH + H; however, a greater contribution to the energetically most favorable isomer, c-C 3 H 2 + H is observed in this work. We do not detect the predicted HCCC + H 2 channel, but place an upper bound on its yield of 1%.
Variational principles of continuum mechanics I fundamentals
Berdichevskii, V L
2009-01-01
This is a concise and understandable book about variational principles of continuum mechanics. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.
Variational principles of continuum mechanics II applications
Berdichevsky, Victor L
2009-01-01
This concise and understandable book about variational principles of continuum mechanics presents the classical models. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.
Kollen, Boudewijn J.; Groenier, Klaas H.; Berendsen, Annette J.
Objective: Communication between professionals is essential because it contributes to an optimal continuum of care. Whether patients experience adequate continuum of care is uncertain. To address this, a questionnaire was developed to elucidate this care process from a patients' perspective. In this
Energy Technology Data Exchange (ETDEWEB)
Vranckx, S. [Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles (ULB), CP 160/09, B-1050 Brussels (Belgium); Laboratoire de Chimie Physique (UMR 8000), Université Paris-Sud, Orsay 91405 (France); Loreau, J.; Vaeck, N. [Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles (ULB), CP 160/09, B-1050 Brussels (Belgium); Meier, C. [Laboratoire Collisions Agrégats Réactivité, UMR 5589, IRSAMC, Université Toulouse III Paul Sabatier, Bât. 3R1b4, Toulouse (France); Desouter-Lecomte, M., E-mail: michele.desouter-lecomte@u-psud.fr [Laboratoire de Chimie Physique (UMR 8000), Univ. Paris Sud, Université Paris-Saclay, Orsay 91405 (France); Département de Chimie, B6c Université de Liège, Sart Tilman, 4000 Liège (Belgium)
2015-10-28
The photodissociation and laser assisted dissociation of the carbon monoxide dication X{sup 3}Π CO{sup 2+} into the {sup 3}Σ{sup −} states are investigated. Ab initio electronic structure calculations of the adiabatic potential energy curves, radial nonadiabatic couplings, and dipole moments for the X {sup 3}Π state are performed for 13 excited {sup 3}Σ{sup −} states of CO{sup 2+}. The photodissociation cross section, calculated by time-dependent methods, shows that the C{sup +} + O{sup +} channels dominate the process in the studied energy range. The carbon monoxide dication CO{sup 2+} is an interesting candidate for control because it can be produced in a single, long lived, v = 0 vibrational state due to the instability of all the other excited vibrational states of the ground {sup 3}Π electronic state. In a spectral range of about 25 eV, perpendicular transition dipoles couple this {sup 3}Π state to a manifold of {sup 3}Σ{sup −} excited states leading to numerous C{sup +} + O{sup +} channels and a single C{sup 2+} + O channel. This unique channel is used as target for control calculations using local control theory. We illustrate the efficiency of this method in order to find a tailored electric field driving the photodissociation in a manifold of strongly interacting electronic states. The selected local pulses are then concatenated in a sequence inspired by the “laser distillation” strategy. Finally, the local pulse is compared with optimal control theory.
Lattice gravity near the continuum limit
International Nuclear Information System (INIS)
Feinberg, G.; Friedberg, R.; Lee, T.D.; Ren, H.C.
1984-01-01
We prove that the lattice gravity always approaches the usual continuum limit when the link length l -> 0, provided that certain general boundary conditions are satisfied. This result holds for any lattice, regular or irregular. Furthermore, for a given lattice, the deviation from its continuum limit can be expressed as a power series in l 2 . General formulas for such a perturbative calculation are given, together with a number of illustrative examples, including the graviton propagator. The lattice gravity satisfies all the invariance properties of Einstein's theory of general relativity. In addition, it is symmetric under a new class of transformations that are absent in the usual continuum theory. The possibility that the lattice theory (with a nonzero l) may be more fundamental is discussed. (orig.)
Continuum Level Density in Complex Scaling Method
International Nuclear Information System (INIS)
Suzuki, R.; Myo, T.; Kato, K.
2005-01-01
A new calculational method of continuum level density (CLD) at unbound energies is studied in the complex scaling method (CSM). It is shown that the CLD can be calculated by employing the discretization of continuum states in the CSM without any smoothing technique
Popolan, Denisia M.; Bernhardt, Thorsten M.
2009-02-01
The reactions of free, size selected gold and silver cluster cations Agn+andAun+ ( n = 3, 5) with C 6H 6 as well as with a mixture of C 6H 6 and CO were investigated in a radio frequency ion trap under multiple collision condition. While benzene was found to react with all investigated metal clusters exhibiting size dependent adsorbate coverages, the coadsorption of C 6H 6 and CO was only observed on the gold clusters. Photodissociation experiments at 353 and 393 nm, respectively, provided indications for charge transfer induced fragmentation in the case of the silver cluster-benzene complexes. In particular, for Ag(CH)2+ the femtosecond time resolved fragmentation dynamics could be measured.
Institute of Scientific and Technical Information of China (English)
戴天民
2003-01-01
The purpose is to reestablish the balance laws of momentum, angular momentumand energy and to derive the corresponding local and nonlocal balance equations formicromorphic continuum mechanics and couple stress theory. The desired results formicromorphic continuum mechanics and couple stress theory are naturally obtained via directtransitions and reductions from the coupled conservation law of energy for micropolarcontinuum theory, respectively. The basic balance laws and equation s for micromorphiccontinuum mechanics and couple stress theory are constituted by combining these resultsderived here and the traditional conservation laws and equations of mass and microinertiaand the entropy inequality. The incomplete degrees of the former related continuum theoriesare clarified. Finally, some special cases are conveniently derived.
Energy Technology Data Exchange (ETDEWEB)
Lev, U; Prabhudesai, V; Natan, A; Bruner, B; Diner, A; Heber, O; Strasser, D; Schwalm, D; Silberberg, Y; Zajfman, D [Faculty of Physics, Weizmann Institute of Science, Rehovot 76100 (Israel); Ben-Itzhak, I; Hua, J J; Esry, B D, E-mail: uri.lev@Weizmann.ac.i [Department of Physics, Kansas State University, Manhattan, KS 66506 (United States)
2009-11-01
H{sub 2}{sup +} photodissociation, induced by intense short laser pulses, was measured by a full 3D imaging system. We have conducted a series of experiments, in which we systematically changed the linear chirp, using a pulse shaper, and observed the kinetic energy release spectra(KER). Distinct differences in the KER spectra are observed both in peak positions and angular distribution for laser pulses with similar duration and intensity but opposite chirp sign.
Model of comet comae. II. Effects of solar photodissociative ionization
International Nuclear Information System (INIS)
Huebner, W.F.; Giguere, P.T.
1980-01-01
Improvements to our computer model of coma plotochemistry are described. These include an expansion of the chemical reactions network and new rate constants that have been measured only recently. Photolytic reactions of additional molecules are incorporated, and photolytic branching ratios are treated in far greater detail than in our previous work. A total of 25 photodissociative ionization (PDI) reactions are now considered (as compared to only 3 PDI reactions previously). Solar PDI of the mother molecule CO 2 is shown to compete effectively with photoionization of CO in the production of observed CO + . The CO + density peak predicted by our improved model, for COP 2 or CO mother molecules, is deep in the inner coma, in better agreement with observation than our old CO 2 model. However, neither CO 2 nor CO mother molecule calculations reproduce the CO + /H 2 O + ratio observed in comet Kohoutek. PDI products of CO 2 , CO, CH 4 , and NH 3 mother molecules fuel a complex chemistry scheme, producing inner coma abundances of CN, C 2 , and C 3 much greater than previously calculated
Properties of Highly Rotationally Excited H2 in Photodissociation Regions
Cummings, Sally Jane; Wan, Yier; Stancil, Phillip C.; Yang, Benhui H.; Zhang, Ziwei
2018-06-01
H2 is the dominant molecular species in the vast majority of interstellar environments and it plays a crucial role as a radiative coolant. In photodissociation regions, it is one of the primary emitters in the near to mid-infrared which are due to lines originating from highly excited rotational levels. However, collisional data for rotational levels j>10 are sparse, particularly for H2-H2 collisions. Utilizing new calculations for para-H2 and ortho-H2 collisional rate coefficients with H2 for j as high as 30, we investigate the effects of the new results in standard PDR models with the spectral simulation package Cloudy. We also perform Cloudy models of the Orion Bar and use Radex to explore rotational line ratio diagnostics. The resulting dataset of H2 collisional data should find wide application to other molecular environments. This work was support by Hubble Space Telescope grant HST-AR-13899.001-A and NASA grants NNX15AI61G and NNX16AF09G.
Physics of the continuum of borromean nuclei
Energy Technology Data Exchange (ETDEWEB)
Vaagen, J S; Rogde, T [Dept. of Physics, Univ. of Bergen (Norway); Danilin, B V [RRC The Kurchatov Inst., Kurchatov, Moscow (Russian Federation); Ershov, S N [JINR, Dubna, Moscow (Russian Federation); Thompson, I J [Dept. of Physics, Univ. of Surrey, Guildford (United Kingdom); Zhukov, M V [Chalmers Univ. of Technology and Goeteborg Univ., Goeteborg (Sweden); RNBT Collaboration
1998-06-01
The continuum states of two-neutron halo nuclei are calculated in the method of hyperspherical harmonics. Using DWIA theory appropriate for dilute halo matter we have probed the structure of the low-lying {sup 6}He continuum via calculations of charge-exchange and inelastic scattering. (orig.)
DEFF Research Database (Denmark)
Amstrup, Bjarne; Henriksen, Niels Engholm
1992-01-01
moment, excites the molecule to a dissociative electronic state. We consider the HOD molecule which is ideal due to the local mode structure of the vibrational states. It is shown that selective and localized bond stretching can be created in simple laser fields. When such a nonstationary vibrating HOD...... molecule is photodissociated with a short laser pulse (~5 fs) complete selectivity between the channels H+OD and D+OH is observed over the entire absorption band covering these channels. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....
Gamma-ray continuum spectra from heavy ion reactions
International Nuclear Information System (INIS)
Beene, J.R.; Halbert, M.L.; Hensley, D.C.; Sarantites, D.G.; Westerberg, L.W.; Geoffroy, K.; Woodward, R.
1979-01-01
A detailed quantitative analysis of the yrast continuum was attempted by subtracting the underlying statistical continnuum in a way that makes allowance for ignorance of its detailed shape. This procedure makes it possible to obtain the moment of inertia as a function of spin over a wide range of spins. The results of this continuum spectra shape analysis can be used to calculate the first and second moments of the continuum multiplicity distribution. Continuum spectra were taken during the bombardment of 150 Nd by 115- and 130-MeV beams of 20 Ne, also the first and second moments of the γ-ray multiplicity distribution as a function of the gamma energy. The moment of inertia versus spin and the deduced Yrast continuua are shown. 10 references
Product fine-structure resolved photodissociation dynamics: The A band of H2O
International Nuclear Information System (INIS)
Zhou, Linsen; Xie, Daiqian; Sun, Zhigang; Guo, Hua
2014-01-01
The photodissociation dynamics of H 2 O in its first absorption band is investigated on an accurate potential energy surface based on a large number of high-level ab initio points. Several ro-vibrational states of the parent molecule are considered. Different from most previous theoretical studies, the spin-orbit and Λ-doublet populations of the open-shell OH fragment are reported from full-dimensional wave packet calculations. The populations of the two spin-orbit manifolds are in most cases close to the statistical limit, but the Λ-doublet is dominated by the A ″ component, thanks largely to the fast in-plane dissociation of H 2 O(A ~1 A ′′ ). Comparisons with experimental data and a Franck-Condon model are generally very good, although some discrepancies exist
Loop quantization as a continuum limit
International Nuclear Information System (INIS)
Manrique, Elisa; Oeckl, Robert; Weber, Axel; Zapata, Jose A
2006-01-01
We present an implementation of Wilson's renormalization group and a continuum limit tailored for loop quantization. The dynamics of loop-quantized theories is constructed as a continuum limit of the dynamics of effective theories. After presenting the general formalism we show as a first explicit example the 2D Ising field theory, an interacting relativistic quantum field theory with local degrees of freedom quantized by loop quantization techniques
Continuum emission from classical nova winds
International Nuclear Information System (INIS)
Harkness, R.P.
1983-01-01
The emergent continuum of a slow classical nova during outburst is considered in the quasi-steady optically thick, transonic wind model. Models are presented for various steady mass loss rates and are related to the evolution of slow novae during decline and early post-maximum. The continuum emission is found to depart radically from a blackbody spectrum and to exhibit features common to highly extended stellar atmospheres. (author)
Directory of Open Access Journals (Sweden)
Elham Amiri
2017-06-01
Full Text Available Background and Objectives: Job satisfaction is the most important factor affecting the performance and productivity of the organization. The purpose of this study was to assess job satisfaction among staff of Jundishapur medical teaching hospitals; based on Herzberg's two-factor model. Material and Methods: This was a cross-sectional study. The sample size of 147 was calculated. Stratified sampling method was used. The questionnaire used to collect data consisted of demographic characteristics and job satisfaction in a Likert scale. Data were analyzed using descriptive statistics (mean score and standard deviation and analytical statistics (Parametric test in SPSS16 software. Results: In survival factors, the highest average belonged to salary subscale with mean score (3.35 ± 1.05. The other subscales were estimated relatively inappropriate .Regarding motivational factors; all subscales were estimated relatively inappropriate. The recognition subscale showed a significant association with age (P Conclusion: In order to enhance the efficiency of hospital staff, in addition to the domains that prevent staff from quitting their job, it needs to emphasize on their motivation as well.
Continuum solutions of the Klein-Gordon equation
International Nuclear Information System (INIS)
Jansen, G.; Pusch, M.; Soff, G.
1987-10-01
We construct explicit solutions of the Klein-Gordon equation for continuum states. The role of the energy in the single-particle Klein-Gordon theory is elucidated. Special emphasis is laid on the determination of resonance states in the continuum for overcritical potentials. As examples for long-range interaction we depict solutions for the Coulomb potential of a point-like nucleus as an extended nucleus. The square-well potential and the exponential potential are treated to exemplify pecularities of short-range interactions. We also derive continuum solutions for a scalar interaction of square-well type. Finally we discuss the behaviour of a spin-0 particle in an external homogeneous magnetic field. (orig.)
Continuum of active nuclei of galaxies
International Nuclear Information System (INIS)
Boisson, C.; Durret, F.
1987-01-01
Most of the luminosity of active galactic nuclei (NAG) is radiated in the form of a continuum extending from radio to X-ray energies. It is important to understand the origin of this continuum in order to explain the relative importance of thermal and non-thermal processes in the different classes of NAG. We present here the observational aspect. A detailed study of the mechanisms will be presented by J.L. Masnou [fr
Continuum simulations of water flow past fullerene molecules
DEFF Research Database (Denmark)
Popadic, A.; Praprotnik, M.; Koumoutsakos, P.
2015-01-01
We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow...
Energy Technology Data Exchange (ETDEWEB)
Ng, Cheuk-Yiu [Univ. of California, Davis, CA (United States)
2016-04-25
The main goal of this research program was to obtain accurate thermochemical and spectroscopic data, such as ionization energies (IEs), 0 K bond dissociation energies, 0 K heats of formation, and spectroscopic constants for radicals and molecules and their ions of relevance to combustion chemistry. Two unique, generally applicable vacuum ultraviolet (VUV) laser photoion-photoelectron apparatuses have been developed in our group, which have used for high-resolution photoionization, photoelectron, and photodissociation studies for many small molecules of combustion relevance.
Continuum mechanics for engineers
Mase, G Thomas; Mase, George E
2009-01-01
Continuum TheoryContinuum MechanicsStarting OverNotationEssential MathematicsScalars, Vectors and Cartesian TensorsTensor Algebra in Symbolic Notation - Summation ConventionIndicial NotationMatrices and DeterminantsTransformations of Cartesian TensorsPrincipal Values and Principal DirectionsTensor Fields, Tensor CalculusIntegral Theorems of Gauss and StokesStress PrinciplesBody and Surface Forces, Mass DensityCauchy Stress PrincipleThe Stress TensorForce and Moment Equilibrium; Stress Tensor SymmetryStress Transformation LawsPrincipal Stresses; Principal Stress DirectionsMaximum and Minimum Stress ValuesMohr's Circles For Stress Plane StressDeviator and Spherical Stress StatesOctahedral Shear StressKinematics of Deformation and MotionParticles, Configurations, Deformations and MotionMaterial and Spatial CoordinatesLangrangian and Eulerian DescriptionsThe Displacement FieldThe Material DerivativeDeformation Gradients, Finite Strain TensorsInfinitesimal Deformation TheoryCompatibility EquationsStretch RatiosRot...
Map of fluid flow in fractal porous medium into fractal continuum flow.
Balankin, Alexander S; Elizarraraz, Benjamin Espinoza
2012-05-01
This paper is devoted to fractal continuum hydrodynamics and its application to model fluid flows in fractally permeable reservoirs. Hydrodynamics of fractal continuum flow is developed on the basis of a self-consistent model of fractal continuum employing vector local fractional differential operators allied with the Hausdorff derivative. The generalized forms of Green-Gauss and Kelvin-Stokes theorems for fractional calculus are proved. The Hausdorff material derivative is defined and the form of Reynolds transport theorem for fractal continuum flow is obtained. The fundamental conservation laws for a fractal continuum flow are established. The Stokes law and the analog of Darcy's law for fractal continuum flow are suggested. The pressure-transient equation accounting the fractal metric of fractal continuum flow is derived. The generalization of the pressure-transient equation accounting the fractal topology of fractal continuum flow is proposed. The mapping of fluid flow in a fractally permeable medium into a fractal continuum flow is discussed. It is stated that the spectral dimension of the fractal continuum flow d(s) is equal to its mass fractal dimension D, even when the spectral dimension of the fractally porous or fissured medium is less than D. A comparison of the fractal continuum flow approach with other models of fluid flow in fractally permeable media and the experimental field data for reservoir tests are provided.
Frequency chirpings in Alfven continuum
Wang, Ge; Berk, Herb; Breizman, Boris; Zheng, Linjin
2017-10-01
We have used a self-consistent mapping technique to describe both the nonlinear wave-energetic particle resonant interaction and its spatial mode structure that depends upon the resonant energetic particle pressure. At the threshold for the onset of the energetic particle mode (EPM), strong chirping emerges in the lower continuum close to the TAE gap and then, driven by strong continuum damping, chirps rapidly to lower frequencies in the Alfven continuum. An adiabatic theory was developed that accurately replicated the results from the simulation where the nonlinearity was only due to the EPM resonant particles. The results show that the EPM-trapped particles have their action conserved during the time of rapid chirping. This adiabaticity enabled wave trapped particles to be confined within their separatrix, and produce even larger resonant structures, that can produce a large amplitude mode far from linearly predicted frequencies. In the present work we describe the effect of additional MHD nonlinearity to this calculation. We studied how the zonal flow component and its nonlinear feedback to the fundamental frequency and found that the MHD nonlinearity doesn't significantly alter the frequency chirping response that is predicted by the calculation that neglects the MHD nonlinearity.
Defining and testing a granular continuum element
Energy Technology Data Exchange (ETDEWEB)
Rycroft, Chris H.; Kamrin, Ken; Bazant, Martin Z.
2007-12-03
Continuum mechanics relies on the fundamental notion of amesoscopic volume "element" in which properties averaged over discreteparticles obey deterministic relationships. Recent work on granularmaterials suggests a continuum law may be inapplicable, revealinginhomogeneities at the particle level, such as force chains and slow cagebreaking. Here, we analyze large-scale Discrete-Element Method (DEM)simulations of different granular flows and show that a "granularelement" can indeed be defined at the scale of dynamical correlations,roughly three to five particle diameters. Its rheology is rather subtle,combining liquid-like dependence on deformation rate and solid-likedependence on strain. Our results confirm some aspects of classicalplasticity theory (e.g., coaxiality of stress and deformation rate),while contradicting others (i.e., incipient yield), and can guide thedevelopment of more realistic continuum models.
Hyperbolic conservation laws in continuum physics
Dafermos, Constantine M
2016-01-01
This is a masterly exposition and an encyclopedic presentation of the theory of hyperbolic conservation laws. It illustrates the essential role of continuum thermodynamics in providing motivation and direction for the development of the mathematical theory while also serving as the principal source of applications. The reader is expected to have a certain mathematical sophistication and to be familiar with (at least) the rudiments of analysis and the qualitative theory of partial differential equations, whereas prior exposure to continuum physics is not required. The target group of readers would consist of (a) experts in the mathematical theory of hyperbolic systems of conservation laws who wish to learn about the connection with classical physics; (b) specialists in continuum mechanics who may need analytical tools; (c) experts in numerical analysis who wish to learn the underlying mathematical theory; and (d) analysts and graduate students who seek introduction to the theory of hyperbolic systems of conser...
Photodissociation of anisole and absolute photoionization cross-section of the phenoxy radical.
Xu, Hong; Pratt, S T
2013-11-21
We have studied the photodissociation dynamics of anisole (C6H5OCH3) at 193 nm and determined the absolute photoionization cross-section of the phenoxy radical at 118.2 nm (10.486 eV) relative to the known cross-section of the methyl radical. Even at this energy, there is extensive fragmentation of the phenoxy radical upon photoionization, which is attributed to ionizing transitions that populate low-lying excited electronic states of the cation. For phenoxy radicals with less than ∼1 eV of internal energy, we find a cross-section for the production of the phenoxy cation of 14.8 ± 3.8 Mb. For radicals with higher internal energy, dissociative ionization is the dominant process, and for internal energies of ∼2.7-3.7 eV, we find a total cross-section (photoionization plus dissociative ionization) of 22.3 ± 4.1 Mb. The results are discussed relative to the recently reported photoionization cross-section of phenol.
SEACAS Theory Manuals: Part II. Nonlinear Continuum Mechanics
Energy Technology Data Exchange (ETDEWEB)
Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.
1998-09-01
This report summarizes the key continuum mechanics concepts required for the systematic prescription and numerical solution of finite deformation solid mechanics problems. Topics surveyed include measures of deformation appropriate for media undergoing large deformations, stress measures appropriate for such problems, balance laws and their role in nonlinear continuum mechanics, the role of frame indifference in description of large deformation response, and the extension of these theories to encompass two dimensional idealizations, structural idealizations, and rigid body behavior. There are three companion reports that describe the problem formulation, constitutive modeling, and finite element technology for nonlinear continuum mechanics systems.
Electronic and vibrational spectroscopy and vibrationally mediated photodissociation of V+(OCO).
Citir, Murat; Altinay, Gokhan; Metz, Ricardo B
2006-04-20
Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm(-1) and in the visible from 15,500 to 16,560 cm(-1), using photofragment spectroscopy. The near-IR band is complex, with a 107 cm(-1) progression in the metal-ligand stretch. The visible band shows clearly resolved vibrational progressions in the metal-ligand stretch and rock, and in the OCO bend, as observed by Brucat and co-workers. A vibrational hot band gives the metal-ligand stretch frequency in the ground electronic state nu3'' = 210 cm(-1). The OCO antisymmetric stretch frequency in the ground electronic state (nu1'') is measured by using vibrationally mediated photodissociation. An IR laser vibrationally excites ions to nu1'' = 1. Vibrationally excited ions selectively dissociate following absorption of a second, visible photon at the nu1' = 1 CO2, due to interaction with the metal. Larger blue shifts observed for complexes with fewer ligands agree with trends seen for larger V+(OCO)n clusters.
Influence of gyroradius and dissipation on the Alfven-wave continuum
International Nuclear Information System (INIS)
Connor, J.W.; Tang, W.M.; Taylor, J.B.
1982-01-01
It is well known that in ideal magnetohydrodynamics there is a continuous spectrum of real frequencies associated with a singularity of the shear Alfven waves on the surface k/sub parallel to/v/sub A/ = omega. It is also known that the introduction of first-order gyroradius effects eliminates the continuum. In the present work we examine the influence of the full gyroradius response and of dissipation on the continuum. In the absence of dissipation we first confirm that if only first-order gyroradius effects are incorporated, the continuum disappears. However, when the full gyroradius response is included, this discrete spectrum vanishes, and a new continuum (associated with singularities at k/sub parallel to/v/sub A/ = 0) appears. The introduction of collisional dissipation removes the original MHD continuum leaving discrete modes whose frequency tends to zero with the collision rate as ν/sup 1/3/. collisions also remove the new continuum of the full gyroradius model leaving discrete modes whose frequency tends to zero as (log ν) -1 . Collisionless Landau damping has a similar effect
A Behavioral Continuum: A Look at Personality Disorders.
Harris, George; Kirk, Nancy A.
1985-01-01
Suggests that narcissistic, borderline, and antisocial personality disorders are not discrete diagnostic categories, but that they lie along a continuum and have in common the dimensions of degree of self-centeredness and degree of differentiation. Presents evidence supporting existence of continuum of behavior rather than discrete diagnostic…
Product fine-structure resolved photodissociation dynamics: The A band of H{sub 2}O
Energy Technology Data Exchange (ETDEWEB)
Zhou, Linsen [Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Xie, Daiqian, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Sun, Zhigang [State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Guo, Hua, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)
2014-01-14
The photodissociation dynamics of H{sub 2}O in its first absorption band is investigated on an accurate potential energy surface based on a large number of high-level ab initio points. Several ro-vibrational states of the parent molecule are considered. Different from most previous theoretical studies, the spin-orbit and Λ-doublet populations of the open-shell OH fragment are reported from full-dimensional wave packet calculations. The populations of the two spin-orbit manifolds are in most cases close to the statistical limit, but the Λ-doublet is dominated by the A{sup ″} component, thanks largely to the fast in-plane dissociation of H{sub 2}O(A{sup ~1}A{sup ′′}). Comparisons with experimental data and a Franck-Condon model are generally very good, although some discrepancies exist.
Teaching Continuum Mechanics in a Mechanical Engineering Program
Liu, Yucheng
2011-01-01
This paper introduces a graduate course, continuum mechanics, which is designed for and taught to graduate students in a Mechanical Engineering (ME) program. The significance of continuum mechanics in engineering education is demonstrated and the course structure is described. Methods used in teaching this course such as topics, class…
Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride
International Nuclear Information System (INIS)
Valero, Rosendo; Truhlar, Donald G.
2006-01-01
Bromoacetyl chloride photodissociation has been interpreted as a paradigmatic example of a process in which nonadiabatic effects play a major role. In molecular beam experiments by Butler and co-workers [J. Chem. Phys. 95, 3848 (1991); J. Chem. Phys. 97, 355 (1992)], BrCH 2 C(O)Cl was prepared in its ground electronic state (S 0 ) and excited with a laser at 248 nm to its first excited singlet state (S 1 ). The two main ensuing photoreactions are the ruptures of the C-Cl bond and of the C-Br bond. A nonadiabatic model was proposed in which the C-Br scission is strongly suppressed due to nonadiabatic recrossing at the barrier formed by the avoided crossing between the S 1 and S 2 states. Recent reduced-dimensional dynamical studies lend support to this model. However, another interpretation that has been given for the experimental results is that the reduced probability of C-Br scission is a consequence of incomplete intramolecular energy redistribution. To provide further insight into this problem, we have studied the energetically lowest six singlet electronic states of bromoacetyl chloride by using an ab initio multiconfigurational perturbative electronic structure method. Stationary points (minima and saddle points) and minimum energy paths have been characterized on the S 0 and S 1 potential energy surfaces. The fourfold way diabatization method has been applied to transform five adiabatic excited electronic states to a diabatic representation. The diabatic potential energy matrix of the first five excited singlet states has been constructed along several cuts of the potential energy hypersurfaces. The thermochemistry of the photodissociation reactions and a comparison with experimental translational energy distributions strongly suggest that nonadiabatic effects dominate the C-Br scission, but that the reaction proceeds along the energetically allowed diabatic pathway to excited-state products instead of being nonadiabatically suppressed. This conclusion is
DEFF Research Database (Denmark)
Ind, Nicholas; Iglesias, Oriol; Markovic, Stefan
2017-01-01
-creation - from tactical market research tool to strategic collaborative innovation method, and shows that brands can be positioned along a continuum between these two polarities. This article also presents the implications for those that want to seize the potential of co-creation....
Effects of continuum breakdown on hypersonic aerothermodynamics for reacting flow
Holman, Timothy D.; Boyd, Iain D.
2011-02-01
This study investigates the effects of continuum breakdown on the surface aerothermodynamic properties (pressure, stress, and heat transfer rate) of a sphere in a Mach 25 flow of reacting air in regimes varying from continuum to a rarefied gas. Results are generated using both continuum [computational fluid dynamics (CFD)] and particle [direct simulation Monte Carlo (DSMC)] approaches. The DSMC method utilizes a chemistry model that calculates the backward rates from an equilibrium constant. A preferential dissociation model is modified in the CFD method to better compare with the vibrationally favored dissociation model that is utilized in the DSMC method. Tests of these models are performed to confirm their validity and to compare the chemistry models in both numerical methods. This study examines the effect of reacting air flow on continuum breakdown and the surface properties of the sphere. As the global Knudsen number increases, the amount of continuum breakdown in the flow and on the surface increases. This increase in continuum breakdown significantly affects the surface properties, causing an increase in the differences between CFD and DSMC. Explanations are provided for the trends observed.
Bursts and shocks in a continuum shell model
DEFF Research Database (Denmark)
Andersen, Ken Haste; Bohr, Tomas; Jensen, M.H.
1998-01-01
We study a burst event, i.e., the evolution of an initial condition having support only in a finite interval of k-space, in the continuum shell model due to Parisi. We show that the continuum equation without forcing or dissipation can be explicitly written in characteristic form and that the right...
Lyman continuum observations of solar flares
Machado, M. E.; Noyes, R. W.
1978-01-01
A study is made of Lyman continuum observations of solar flares, using data obtained by the EUV spectroheliometer on the Apollo Telescope Mount. It is found that there are two main types of flare regions: an overall 'mean' flare coincident with the H-alpha flare region, and transient Lyman continuum kernels which can be identified with the H-alpha and X-ray kernels observed by other authors. It is found that the ground level hydrogen population in flares is closer to LTE than in the quiet sun and active regions, and that the level of Lyman continuum formation is lowered in the atmosphere from a mass column density .000005 g/sq cm in the quiet sun to .0003 g/sq cm in the mean flare, and to .001 g/sq cm in kernels. From these results the amount of chromospheric material 'evaporated' into the high temperature region is derived, which is found to be approximately 10 to the 15th g, in agreement with observations of X-ray emission measures.
A Coupling Tool for Parallel Molecular Dynamics-Continuum Simulations
Neumann, Philipp; Tchipev, Nikola
2012-01-01
We present a tool for coupling Molecular Dynamics and continuum solvers. It is written in C++ and is meant to support the developers of hybrid molecular - continuum simulations in terms of both realisation of the respective coupling algorithm
Geometric continuum regularization of quantum field theory
International Nuclear Information System (INIS)
Halpern, M.B.
1989-01-01
An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs
ALMA BAND 8 CONTINUUM EMISSION FROM ORION SOURCE I
Energy Technology Data Exchange (ETDEWEB)
Hirota, Tomoya; Matsumoto, Naoko [Mizusawa VLBI Observatory, National Astronomical Observatory of Japan, Osawa 2-21-1, Mitaka-shi, Tokyo 181-8588 (Japan); Machida, Masahiro N.; Matsushita, Yuko [Department of Earth and Planetary Sciences, Faculty of Sciences, Kyushu University, Motooka 744, Nishi-ku, Fukuoka-shi, Fukuoka 819-0395 (Japan); Motogi, Kazuhito; Honma, Mareki [Mizusawa VLBI Observatory, National Astronomical Observatory of Japan, Hoshigaoka2-12, Mizusawa-ku, Oshu-shi, Iwate 023-0861 (Japan); Kim, Mi Kyoung [Korea Astronomy and Space Science Institute, Hwaam-dong 61-1, Yuseong-gu, Daejeon, 305-348 (Korea, Republic of); Burns, Ross A., E-mail: tomoya.hirota@nao.ac.jp [Joint Institute for VLBI in Europe, Postbus 2, 7990 AA, Dwingeloo (Netherlands)
2016-12-20
We have measured continuum flux densities of a high-mass protostar candidate, a radio source I in the Orion KL region (Orion Source I) using the Atacama Large Millimeter/Submillimeter Array (ALMA) at band 8 with an angular resolution of 0.″1. The continuum emission at 430, 460, and 490 GHz associated with Source I shows an elongated structure along the northwest–southeast direction perpendicular to the so-called low-velocity bipolar outflow. The deconvolved size of the continuum source, 90 au × 20 au, is consistent with those reported previously at other millimeter/submillimeter wavelengths. The flux density can be well fitted to the optically thick blackbody spectral energy distribution, and the brightness temperature is evaluated to be 700–800 K. It is much lower than that in the case of proton–electron or H{sup −} free–free radiations. Our data are consistent with the latest ALMA results by Plambeck and Wright, in which the continuum emission was proposed to arise from the edge-on circumstellar disk via thermal dust emission, unless the continuum source consists of an unresolved structure with a smaller beam filling factor.
Assessing continuum postulates in simulations of granular flow
Energy Technology Data Exchange (ETDEWEB)
Rycroft, Chris; Kamrin, Ken; Bazant, Martin
2008-08-26
Continuum mechanics relies on the fundamental notion of a mesoscopic volume"element" in which properties averaged over discrete particles obey deterministic relationships. Recent work on granular materials suggests a continuum law may be inapplicable, revealing inhomogeneities at the particle level, such as force chains and slow cage breaking. Here, we analyze large-scale three-dimensional Discrete-Element Method (DEM) simulations of different granular flows and show that an approximate"granular element" defined at the scale of observed dynamical correlations (roughly three to five particle diameters) has a reasonable continuum interpretation. By viewing all the simulations as an ensemble of granular elements which deform and move with the flow, we can track material evolution at a local level. Our results confirm some of the hypotheses of classical plasticity theory while contradicting others and suggest a subtle physical picture of granular failure, combining liquid-like dependence on deformation rate and solid-like dependence on strain. Our computational methods and results can be used to guide the development of more realistic continuum models, based on observed local relationships betweenaverage variables.
One millimeter continuum observations of high redshift quasars
International Nuclear Information System (INIS)
Ennis, D.J.; Soifer, B.T.
1981-01-01
Upper limits to the one-millimeter continuum flux densities of the high redshift quasars B2 1225 + 31, Ton 490, and PHL 957 are presented. The upper limit to the power observed from these quasars at 1 mm is, on the average, one half of the observed power in the continuum at L-alpha. These observations are used to constrain the temperature of a hypothetical dust shell which reddens the quasar line and continuum emission by an extinction optical depth sufficient to account for the anomalously low L-alpha/H-alpha emission line ratio observed in each of these quasars. For the quasars studied, dust shell temperatures between 25 K and 50 to 95 K are prohibited by the present data. A dust shell at a temperature within this span reradiating all the power absorbed from the quasar ultraviolet continuum would produce a one-millimeter flux density greater than the measured upper limit. The average radius of the model dust shell cannot be between 70 kpc and 1 Mpc
On deformation of complex continuum immersed in a plane space
Kovalev, V. A.; Murashkin, E. V.; Radayev, Y. N.
2018-05-01
The present paper is devoted to mathematical modelling of complex continua deformations considered as immersed in an external plane space. The complex continuum is defined as a differential manifold supplied with metrics induced by the external space. A systematic derivation of strain tensors by notion of isometric immersion of the complex continuum into a plane space of a higher dimension is proposed. Problem of establishing complete systems of irreducible objective strain and extrastrain tensors for complex continuum immersed in an external plane space is resolved. The solution to the problem is obtained by methods of the field theory and the theory of rational algebraic invariants. Strain tensors of the complex continuum are derived as irreducible algebraic invariants of contravariant vectors of the external space emerging as functional arguments in the complex continuum action density. Present analysis is restricted to rational algebraic invariants. Completeness of the considered systems of rational algebraic invariants is established for micropolar elastic continua. Rational syzygies for non-quadratic invariants are discussed. Objective strain tensors (indifferent to frame rotations in the external plane space) for micropolar continuum are alternatively obtained by properly combining multipliers of polar decompositions of deformation and extra-deformation gradients. The latter is realized only for continua immersed in a plane space of the equal mathematical dimension.
Continuum gamma-ray spectroscopy
International Nuclear Information System (INIS)
Diamond, R.M.
1981-06-01
When angular momentum is added to a nucleus, it is, of course, carried by the individual nucleons, but two limiting types of behavior may be distinguished: (1) a small number of high-j particles align with the rotation axis and (2) the nucleus is deformed and rotates as a whole. At high spin all nuclei seem to show a compromise utilizing both motions. The excited nuclei left as products of (HI,xn) reactions have so many pathways down that none of the γ-ray transitions have enough intensity to be seen individually until the population gathers near the yrast line. This occurs usually between spin 20 to 40 h-bar. All our information on the higher states comes from their continuum spectra. With the new techniques that are developing, including the use of multiplicity filters, total-energy spectrometers, energy correlation studies, crystal balls, and observation of giant dipole resonances in the continuum spectra, there is hope to learn much about the nature of the high-spin states
Nonlocal continuum field theories
2002-01-01
Nonlocal continuum field theories are concerned with material bodies whose behavior at any interior point depends on the state of all other points in the body -- rather than only on an effective field resulting from these points -- in addition to its own state and the state of some calculable external field. Nonlocal field theory extends classical field theory by describing the responses of points within the medium by functionals rather than functions (the "constitutive relations" of classical field theory). Such considerations are already well known in solid-state physics, where the nonlocal interactions between the atoms are prevalent in determining the properties of the material. The tools developed for crystalline materials, however, do not lend themselves to analyzing amorphous materials, or materials in which imperfections are a major part of the structure. Nonlocal continuum theories, by contrast, can describe these materials faithfully at scales down to the lattice parameter. This book presents a unif...
STATCONT: A statistical continuum level determination method for line-rich sources
Sánchez-Monge, Á.; Schilke, P.; Ginsburg, A.; Cesaroni, R.; Schmiedeke, A.
2018-01-01
STATCONT is a python-based tool designed to determine the continuum emission level in spectral data, in particular for sources with a line-rich spectrum. The tool inspects the intensity distribution of a given spectrum and automatically determines the continuum level by using different statistical approaches. The different methods included in STATCONT are tested against synthetic data. We conclude that the sigma-clipping algorithm provides the most accurate continuum level determination, together with information on the uncertainty in its determination. This uncertainty can be used to correct the final continuum emission level, resulting in the here called `corrected sigma-clipping method' or c-SCM. The c-SCM has been tested against more than 750 different synthetic spectra reproducing typical conditions found towards astronomical sources. The continuum level is determined with a discrepancy of less than 1% in 50% of the cases, and less than 5% in 90% of the cases, provided at least 10% of the channels are line free. The main products of STATCONT are the continuum emission level, together with a conservative value of its uncertainty, and datacubes containing only spectral line emission, i.e., continuum-subtracted datacubes. STATCONT also includes the option to estimate the spectral index, when different files covering different frequency ranges are provided.
Near-infrared water vapour self-continuum at close to room temperature
International Nuclear Information System (INIS)
Ptashnik, I.V.; Petrova, T.M.; Ponomarev, Yu.N.; Shine, K.P.; Solodov, A.A.; Solodov, A.M.
2013-01-01
The gaseous absorption of solar radiation within near-infrared atmospheric windows in the Earth's atmosphere is dominated by the water vapour continuum. Recent measurements by Baranov et al. (2011) [17] in 2500 cm −1 (4 μm) window and by Ptashnik et al. (2011) [18] in a few near-infrared windows revealed that the self-continuum absorption is typically an order of magnitude stronger than given by the MT C KD continuum model prior to version 2.5. Most of these measurements, however, were made at elevated temperatures, which makes their application to atmospheric conditions difficult. Here we report new laboratory measurements of the self-continuum absorption at 289 and 318 K in the near-infrared spectral region 1300–8000 cm −1 , using a multipass 30 m base cell with total optical path 612 m. Our results confirm the main conclusions of the previous measurements both within bands and in windows. Of particular note is that we present what we believe to be the first near-room temperature measurement using Fourier Transform Spectrometry of the self-continuum in the 6200 cm −1 (1.6 μm) window, which provides tentative evidence that, at such temperatures, the water vapour continuum absorption may be as strong as it is in 2.1 μm and 4 μm windows and up to 2 orders of magnitude stronger than the MT C KD-2.5 continuum. We note that alternative methods of measuring the continuum in this window have yielded widely differing assessment of its strength, which emphasises the need for further measurements. -- Highlights: ► New lab measurements of the near-infrared water vapour self-continuum absorption. ► First room-temperature data on the self-continuum in the 1.6 μm window. ► In the 1.6 μm window the new data exceed MT C KD-2.5 model by 2 orders of magnitude
Continuum regularized Yang-Mills theory
International Nuclear Information System (INIS)
Sadun, L.A.
1987-01-01
Using the machinery of stochastic quantization, Z. Bern, M. B. Halpern, C. Taubes and I recently proposed a continuum regularization technique for quantum field theory. This regularization may be implemented by applying a regulator to either the (d + 1)-dimensional Parisi-Wu Langevin equation or, equivalently, to the d-dimensional second order Schwinger-Dyson (SD) equations. This technique is non-perturbative, respects all gauge and Lorentz symmetries, and is consistent with a ghost-free gauge fixing (Zwanziger's). This thesis is a detailed study of this regulator, and of regularized Yang-Mills theory, using both perturbative and non-perturbative techniques. The perturbative analysis comes first. The mechanism of stochastic quantization is reviewed, and a perturbative expansion based on second-order SD equations is developed. A diagrammatic method (SD diagrams) for evaluating terms of this expansion is developed. We apply the continuum regulator to a scalar field theory. Using SD diagrams, we show that all Green functions can be rendered finite to all orders in perturbation theory. Even non-renormalizable theories can be regularized. The continuum regulator is then applied to Yang-Mills theory, in conjunction with Zwanziger's gauge fixing. A perturbative expansion of the regulator is incorporated into the diagrammatic method. It is hoped that the techniques discussed in this thesis will contribute to the construction of a renormalized Yang-Mills theory is 3 and 4 dimensions
Department of Housing and Urban Development — The purpose of the Continuum of Care (CoC) Homeless Assistance Programs is to reduce the incidence of homelessness in CoC communities by assisting homeless...
Continuum methods of physical modeling continuum mechanics, dimensional analysis, turbulence
Hutter, Kolumban
2004-01-01
The book unifies classical continuum mechanics and turbulence modeling, i.e. the same fundamental concepts are used to derive model equations for material behaviour and turbulence closure and complements these with methods of dimensional analysis. The intention is to equip the reader with the ability to understand the complex nonlinear modeling in material behaviour and turbulence closure as well as to derive or invent his own models. Examples are mostly taken from environmental physics and geophysics.
Continuum Thinking and the Contexts of Personal Information Management
Huvila, Isto; Eriksen, Jon; Häusner, Eva-Maria; Jansson, Ina-Maria
2014-01-01
Introduction: Recent personal information management literature has underlined the significance of the contextuality of personal information and its use. The present article discusses the applicability of the records continuum model and its generalisation, continuum thinking, as a theoretical framework for explicating the overlap and evolution of…
Lattice Boltzmann method for multi-component, non-continuum mass diffusion
International Nuclear Information System (INIS)
Joshi, Abhijit S; Peracchio, Aldo A; Grew, Kyle N; Chiu, Wilson K S
2007-01-01
Recently, there has been a great deal of interest in extending the lattice Boltzmann method (LBM) to model transport phenomena in the non-continuum regime. Most of these studies have focused on single-component flows through simple geometries. This work examines an ad hoc extension of a recently developed LBM model for multi-component mass diffusion (Joshi et al 2007 J. Phys. D: Appl. Phys. 40 2961) to model mass diffusion in the non-continuum regime. In order to validate the method, LBM results for ternary diffusion in a two-dimensional channel are compared with predictions of the dusty gas model (DGM) over a range of Knudsen numbers. A calibration factor based on the DGM is used in the LBM to correlate Knudsen diffusivity to pore size. Results indicate that the LBM can be a useful tool for predicting non-continuum mass diffusion (Kn > 0.001), but additional research is needed to extend the range of applicability of the algorithm for a larger parameter space. Guidelines are given on using the methodology described in this work to model non-continuum mass transport in more complex geometries where the DGM is not easily applicable. In addition, the non-continuum LBM methodology can be extended to three-dimensions. An envisioned application of this technique is to model non-continuum mass transport in porous solid oxide fuel cell electrodes
Continuum mechanics using Mathematica fundamentals, methods, and applications
Romano, Antonio
2014-01-01
This textbook's methodological approach familiarizes readers with the mathematical tools required to correctly define and solve problems in continuum mechanics. Covering essential principles and fundamental applications, this second edition of Continuum Mechanics using Mathematica® provides a solid basis for a deeper study of more challenging and specialized problems related to nonlinear elasticity, polar continua, mixtures, piezoelectricity, ferroelectricity, magneto-fluid mechanics, and state changes (see A. Romano, A. Marasco, Continuum Mechanics: Advanced Topics and Research Trends, Springer (Birkhäuser), 2010, ISBN 978-0-8176-4869-5). Key topics and features: * Concise presentation strikes a balance between fundamentals and applications * Requisite mathematical background carefully collected in two introductory chapters and one appendix * Recent developments highlighted through coverage of more significant applications to areas such as wave propagation, fluid mechanics, porous media, linear elasticity....
ICMS Workshop on Differential Geometry and Continuum Mechanics
Grinfeld, Michael; Knops, R
2015-01-01
This book examines the exciting interface between differential geometry and continuum mechanics, now recognised as being of increasing technological significance. Topics discussed include isometric embeddings in differential geometry and the relation with microstructure in nonlinear elasticity, the use of manifolds in the description of microstructure in continuum mechanics, experimental measurement of microstructure, defects, dislocations, surface energies, and nematic liquid crystals. Compensated compactness in partial differential equations is also treated. The volume is intended for specialists and non-specialists in pure and applied geometry, continuum mechanics, theoretical physics, materials and engineering sciences, and partial differential equations. It will also be of interest to postdoctoral scientists and advanced postgraduate research students. These proceedings include revised written versions of the majority of papers presented by leading experts at the ICMS Edinburgh Workshop on Differential G...
International Nuclear Information System (INIS)
Chiu, Y.
1997-01-01
We use quantum molecular structure and spectroscopic thoughts of various possible vibronic interactions for the position space of two-electron geminal orbitals with Bloch sums. Our geminals have different degeneracy from one-electron molecular orbitals and are different from the momentum space of BCS free electrons. Based on Herzberg-Teller expansions, our consideration of the aspect of the Renner-Teller effect for cyclic boundary crystals (instead of the usual linear molecules) involves first-order vibronic interaction with isotope effects different from the second-order electron-phonon energy of BCS theory, bipolaron theory, etc. Our consideration of the Jahn-Teller effect with equal-minimum double-well potential leads to the intervalent charge transfer between two degenerate vibrationally affected electronic structures. Our considerations of different style vibrations other than the antisymmetric vibration for the nearest neighbor (e.g., displaced oscillator, etc.) may possibly be related to the case of special chemical structures with special doping and special coherence length. Our simple structural illustrations of such different vibronic Renner-Teller, Jahn-Teller effects and intervalent charge transfer (of La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7-x ) may promote some possible thoughts of quantum chemical structures compared and mixed with the physical treatments of special high-T c superconductors. copyright 1997 The American Physical Society
International Nuclear Information System (INIS)
Robinson, R.D.
1985-01-01
This paper reviews the metre-wave continuum radiation which is related to similar solar emissions observed in the decimetre and centimetre spectral regions. This type of emission, known as Flare Contiuum, is related to the radio bursts of types II and IV. After summarising the history of the phenomenon and reviewing the observational work, the author discusses the various possible radiation mechanisms and their relation to the solar corona, the interplanetary medium and related regions. The theoretical topics covered include the role of high-energy particles, the trapping of such particles, gyro-synchrotron radiation, polarization and plasma interactions. (U.K.)
Dynamic Modelling for Planar Extensible Continuum Robot Manipulators
2006-01-01
to the OCTARM continuum ma- nipulator. The OCTARM manipulator is a biologically inspired soft robot manipulator resembling an elephant trunk or an... octopus arm [18]. The OCTARM, shown in Figure 1, is a three-section robot with nine degrees of freedom. Aside from two axis bending with constant...increasing interest in designing �biologically inspired � continuum robots . Some of these designs are mimicking trunks [8], [25], tentacles [17], [21], [24
Theoretical Calculation and Validation of the Water Vapor Continuum Absorption
Ma, Qiancheng; Tipping, Richard H.
1998-01-01
The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multi-spectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/ml, which compared to the 4 W/m' magnitude of the greenhouse gas forcing and the 1-2 W/m' estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude tuning
Generalized Continuum: from Voigt to the Modeling of Quasi-Brittle Materials
Directory of Open Access Journals (Sweden)
Jamile Salim Fuina
2010-12-01
Full Text Available This article discusses the use of the generalized continuum theories to incorporate the effects of the microstructure in the nonlinear finite element analysis of quasi-brittle materials and, thus, to solve mesh dependency problems. A description of the problem called numerically induced strain localization, often found in Finite Element Method material non-linear analysis, is presented. A brief historic about the Generalized Continuum Mechanics based models is presented, since the initial work of Voigt (1887 until the more recent studies. By analyzing these models, it is observed that the Cosserat and microstretch approaches are particular cases of a general formulation that describes the micromorphic continuum. After reporting attempts to incorporate the material microstructure in Classical Continuum Mechanics based models, the article shows the recent tendency of doing it according to assumptions of the Generalized Continuum Mechanics. Finally, it presents numerical results which enable to characterize this tendency as a promising way to solve the problem.
Nuclear structure investigations with inclusion of continuum states
International Nuclear Information System (INIS)
Rotter, I.
1983-09-01
The influence of the continuum on the properties of discrete nuclear states is reviewed. It is described on the basis of a continuum shell model. The coupling of the discrete states to the continuum results in an additional term to the Hamiltonian, commonly used in the study of nuclear structure, and an additional term to the wavefunction of the discrete state. These additional terms characterise finite nuclei in contrast to nuclear matter. They result in some symmetry violation of the residual nuclear interaction such as charge symmetry violation, and describe the nuclear surface, respectively. The energies and widths of resonance states result from the complex eigenvalues of the Hamiltonian. The partial widths are shown to be factorisable into a spectroscopic factor and into a penetration factor if the spectroscopic factor is large. An expression for the S-matrix is derived in which instead of the so-called resonance parameters, functions appear which are calculated in the framework of the model. The line shape of resonances is also influenced by these functions. As an extreme case, a resonance may have the appearance of a cusp. The conclusions drawn are supported by the results of numerical calculations performed in the continuum shell model for light nuclei with realistic shell model wavefunctions. (author)
Continuum of Counseling Goals: A Framework for Differentiating Counseling Strategies.
Bruce, Paul
1984-01-01
Presents counseling goals in a developmental continuum similar in concept to Maslow's hierarchy of needs. Discusses ego development goals, socialization goals, developmental goals, self-esteem goals, and self-realization goals and describes characteristics and implications of the continuum. (JAC)
The geometry of continuum regularization
International Nuclear Information System (INIS)
Halpern, M.B.
1987-03-01
This lecture is primarily an introduction to coordinate-invariant regularization, a recent advance in the continuum regularization program. In this context, the program is seen as fundamentally geometric, with all regularization contained in regularized DeWitt superstructures on field deformations
HIV continuum of care in Europe and Central Asia.
Drew, R S; Rice, B; Rüütel, K; Delpech, V; Attawell, K A; Hales, D K; Velasco, C; Amato-Gauci, A J; Pharris, A; Tavoschi, L; Noori, T
2017-08-01
The European Centre for Disease Prevention and Control (ECDC) supports countries to monitor progress in their response to the HIV epidemic. In line with these monitoring responsibilities, we assess how, and to what extent, the continuum of care is being measured across countries. The ECDC sent out questionnaires to 55 countries in Europe and Central Asia in 2014. Nominated country representatives were questioned on how they defined and measured six elements of the continuum. We present our results using three previously described frameworks [breakpoints; Joint United Nations Programme on HIV/AIDS (UNAIDS) 90-90-90 targets; diagnosis and treatment quadrant]. Forty countries provided data for at least one element of the continuum. Countries reported most frequently on the number of people diagnosed with HIV infection (37; 93%), and on the number in receipt of antiretroviral therapy (ART) (35; 88%). There was little consensus across countries in their approach to defining linkage to, and retention in, care. The most common breakpoint (>19% reduction between two adjacent elements) related to the estimated number of people living with HIV who were diagnosed (18 of 23; 78%). We present continuum data from multiple countries that provide both a snapshot of care provision and a baseline against which changes over time in care provision across Europe and Central Asia may be measured. To better inform HIV testing and treatment programmes, standard data collection approaches and definitions across the HIV continuum of care are needed. If countries wish to ensure an unbroken HIV continuum of care, people living with HIV need to be diagnosed promptly, and ART needs to be offered to all those diagnosed. © 2017 The Authors. HIV Medicine published by John Wiley & Sons Ltd on behalf of British HIV Association.
Continuum Damage Mechanics A Continuum Mechanics Approach to the Analysis of Damage and Fracture
Murakami, Sumio
2012-01-01
Recent developments in engineering and technology have brought about serious and enlarged demands for reliability, safety and economy in wide range of fields such as aeronautics, nuclear engineering, civil and structural engineering, automotive and production industry. This, in turn, has caused more interest in continuum damage mechanics and its engineering applications. This book aims to give a concise overview of the current state of damage mechanics, and then to show the fascinating possibility of this promising branch of mechanics, and to provide researchers, engineers and graduate students with an intelligible and self-contained textbook. The book consists of two parts and an appendix. Part I is concerned with the foundation of continuum damage mechanics. Basic concepts of material damage and the mechanical representation of damage state of various kinds are described in Chapters 1 and 2. In Chapters 3-5, irreversible thermodynamics, thermodynamic constitutive theory and its application ...
Discrimination between discrete and continuum scattering from the sub-seafloor.
Holland, Charles W; Steininger, Gavin; Dosso, Stan E
2015-08-01
There is growing evidence that seabed scattering is often dominated by heterogeneities within the sediment volume as opposed to seafloor roughness. From a theoretical viewpoint, sediment volume heterogeneities can be described either by a fluctuation continuum or by discrete particles. In at-sea experiments, heterogeneity characteristics generally are not known a priori. Thus, an uninformed model selection is generally made, i.e., the researcher must arbitrarily select either a discrete or continuum model. It is shown here that it is possible to (acoustically) discriminate between continuum and discrete heterogeneities in some instances. For example, when the spectral exponent γ3>4, the volume scattering cannot be described by discrete particles. Conversely, when γ3≤2, the heterogeneities likely arise from discrete particles. Furthermore, in the range 2discrete vs continuum heterogeneities via acoustic remote sensing may lead to improved observations and concomitant increased understanding of the marine benthic environment.
Continuum gauge fields from lattice gauge fields
International Nuclear Information System (INIS)
Goeckeler, M.; Kronfeld, A.S.; Schierholz, G.; Wiese, U.J.
1993-01-01
On the lattice some of the salient features of pure gauge theories and of gauge theories with fermions in complex representations of the gauge group seem to be lost. These features can be recovered by considering part of the theory in the continuum. The prerequisite for that is the construction of continuum gauge fields from lattice gauge fields. Such a construction, which is gauge covariant and complies with geometrical constructions of the topological charge on the lattice, is given in this paper. The procedure is explicitly carried out in the U(1) theory in two dimensions, where it leads to simple results. (orig.)
Expansion of continuum functions on resonance wave functions and amplitudes
International Nuclear Information System (INIS)
Bang, J.; Gareev, F.A.; Gizzatkulov, M.H.; Goncharov, S.A.
1978-01-01
To overcome difficulties encountered with wave functions of continuum spectrum (for example, in a shell model with continuum) the pole expansion (by the Mittag-Leffler theorem) of wave functions, scattering amplitudes and the Green functions with positive energies are considered. It is shown that resonance functions (the Gamov functions) form a complete set over which the continuum functions could be expanded. The general view of these expansions for final potentials and for the Coulomb repulsion potential are obtained and discussed. It is shown that the application of the method to nuclear structure calculations leads to simple algebraic equations
Non-classical solutions of a continuum model for rock descriptions
Directory of Open Access Journals (Sweden)
Mikhail A. Guzev
2014-06-01
Full Text Available The strain-gradient and non-Euclidean continuum theories are employed for construction of non-classical solutions of continuum models. The linear approximation of both models' results in identical structures in terms of their kinematic and stress characteristics. The solutions obtained in this study exhibit a critical behaviour with respect to the external loading parameter. The conclusions are obtained based on an investigation of the solution for the scalar curvature in the non-Euclidean continuum theory. The proposed analysis enables us to use different theoretical approaches for description of rock critical behaviour under different loading conditions.
Blitz, M. A.; Heard, D. E.; Pilling, M. J.; Arnold, S. R.; Chipperfield, M. P.
2004-03-01
The photodissociation of acetone has been studied over the wavelength (λ) range 279-327.5 nm as a function of temperature (T) and pressure (p) using a spectroscopic method to monitor the acetyl (CH3CO) radical fragment. Above 310 nm the quantum yield (QY) is substantially smaller than previous measurements, and decreases with T. The QYs for production of CH3CO + CH3 and CH3 + CH3 + CO have been parameterised as a function of λ, p and T and used to calculate the altitude dependence of the photolysis frequency. In the upper troposphere (UT) the acetone photolysis lifetime is a factor of 2.5-10 longer, dependent upon latitude and season, than if the previously recommended QYs are used.
Reducing Actuator Requirements in Continuum Robots Through Optimized Cable Routing.
Case, Jennifer C; White, Edward L; SunSpiral, Vytas; Kramer-Bottiglio, Rebecca
2018-02-01
Continuum manipulators offer many advantages compared to their rigid-linked counterparts, such as increased degrees of freedom and workspace volume. Inspired by biological systems, such as elephant trunks and octopus tentacles, many continuum manipulators are made of multiple segments that allow large-scale deformations to be distributed throughout the body. Most continuum manipulators currently control each segment individually. For example, a planar cable-driven system is typically controlled by a pair of cables for each segment, which implies two actuators per segment. In this article, we demonstrate how highly coupled crossing cable configurations can reduce both actuator count and actuator torque requirements in a planar continuum manipulator, while maintaining workspace reachability and manipulability. We achieve highly coupled actuation by allowing cables to cross through the manipulator to create new cable configurations. We further derive an analytical model to predict the underactuated manipulator workspace and experimentally verify the model accuracy with a physical system. We use this model to compare crossing cable configurations to the traditional cable configuration using workspace performance metrics. Our work here focuses on a simplified planar robot, both in simulation and in hardware, with the goal of extending this to spiraling-cable configurations on full 3D continuum robots in future work.
Photodissociation of NaK: Ab initio spin-orbit interaction of the Na (32S) and K (42Pj) manifold
International Nuclear Information System (INIS)
Manaa, M.R.
1999-01-01
The relevant interstate b 3 II, A 1 Σ + , c 3 Σ + , and B 1 II spin-orbit induced matrix elements, arising from the Ma (3 2 S) K (4 2 P j ) manifold are treated within the full microscopic Breit-Pauli approximation based on ab initio configuration interaction (CI) wave functions. The determination of these couplings as a function of the internuclear distance of NaK should permit a full treatment of the fine-structure branching ratio K*(4 2 P 1/2 (D 1 ))/Kasterisk(4 2 P 3/2 (D 2 )) in manifold-meditated photodissociation and in the treatment of interstate perturbations
Lee, Ping-Chen; Tsai, Po-Yu; Hsiao, Ming-Kai; Lin, King-Chuen; Huang, C H; Chang, A H H
2009-03-09
In the photodissociation of 1,1-C(2)H(2)Br(2) at 248 nm, the Br(2) elimination channel is probed by using cavity ring-down absorption spectroscopy (CRDS). In terms of spectral simulation, the vibrational population ratio of Br(2)(v = 1)/Br(2)(v = 0) is found to be 0.55+/-0.05, which indicates that the Br(2) fragment is vibrationally hot. The rotational population is thermally equilibrated with a Boltzmann temperature of 349+/-38 K. According to ab initio potential energy calculations, the obtained fragments are anticipated to result primarily from photodissociation of the ground electronic state that undergoes 1) H migration followed by three-center elimination, and 2) isomerization forming either trans- or cis-1,2-C(2)H(2)Br(2) from which Br(2) is eliminated. RRKM calculations predict that the Br(2) dissociation rates through the ground singlet state prevail over those through the triplet state. Measurements of temperature and Ar pressure dependence are examined to support the proposed pathway via internal conversion. The quantum yield for the Br(2) elimination reaction is determined to be 0.07+/-0.04. This result is smaller than that obtained in 1,2-C(2)H(2)Br(2), probably because the dissociation rates are slowed in the isomerization stage.
Brodie, Nicholas I; Huguet, Romain; Zhang, Terry; Viner, Rosa; Zabrouskov, Vlad; Pan, Jingxi; Petrotchenko, Evgeniy V; Borchers, Christoph H
2018-03-06
Top-down hydrogen-deuterium exchange (HDX) analysis using electron capture or transfer dissociation Fourier transform mass spectrometry (FTMS) is a powerful method for the analysis of secondary structure of proteins in solution. The resolution of the method is a function of the degree of fragmentation of backbone bonds in the proteins. While fragmentation is usually extensive near the N- and C-termini, electron capture (ECD) or electron transfer dissociation (ETD) fragmentation methods sometimes lack good coverage of certain regions of the protein, most often in the middle of the sequence. Ultraviolet photodissociation (UVPD) is a recently developed fast-fragmentation technique, which provides extensive backbone fragmentation that can be complementary in sequence coverage to the aforementioned electron-based fragmentation techniques. Here, we explore the application of electrospray ionization (ESI)-UVPD FTMS on an Orbitrap Fusion Lumos Tribrid mass spectrometer to top-down HDX analysis of proteins. We have incorporated UVPD-specific fragment-ion types and fragment-ion mixtures into our isotopic envelope fitting software (HDX Match) for the top-down HDX analysis. We have shown that UVPD data is complementary to ETD, thus improving the overall resolution when used as a combined approach.
Energy Technology Data Exchange (ETDEWEB)
Wykes, M., E-mail: mikewykes@gmail.com; Parambil, R.; Gierschner, J. [Madrid Institute for Advanced Studies, IMDEA Nanoscience, Calle Faraday 9, Campus Cantoblanco, 28049 Madrid (Spain); Beljonne, D. [Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, 7000 Mons (Belgium)
2015-09-21
Here, we present a general approach to treating vibronic coupling in molecular crystals based on atomistic simulations of large clusters. Such clusters comprise model aggregates treated at the quantum chemical level embedded within a realistic environment treated at the molecular mechanics level. As we calculate ground and excited state equilibrium geometries and vibrational modes of model aggregates, our approach is able to capture effects arising from coupling to intermolecular degrees of freedom, absent from existing models relying on geometries and normal modes of single molecules. Using the geometries and vibrational modes of clusters, we are able to simulate the fluorescence spectra of aggregates for which the lowest excited state bears negligible oscillator strength (as is the case, e.g., ideal H-aggregates) by including both Franck-Condon (FC) and Herzberg-Teller (HT) vibronic transitions. The latter terms allow the adiabatic excited state of the cluster to couple with vibrations in a perturbative fashion via derivatives of the transition dipole moment along nuclear coordinates. While vibronic coupling simulations employing FC and HT terms are well established for single-molecules, to our knowledge this is the first time they are applied to molecular aggregates. Here, we apply this approach to the simulation of the low-temperature fluorescence spectrum of para-distyrylbenzene single-crystal H-aggregates and draw comparisons with coarse-grained Frenkel-Holstein approaches previously extensively applied to such systems.
Computational Method for Atomistic-Continuum Homogenization
National Research Council Canada - National Science Library
Chung, Peter
2002-01-01
The homogenization method is used as a framework for developing a multiscale system of equations involving atoms at zero temperature at the small scale and continuum mechanics at the very large scale...
A constitutive model of soft tissue: From nanoscale collagen to tissue continuum
Tang, Huang
2009-04-08
Soft collagenous tissue features many hierarchies of structure, starting from tropocollagen molecules that form fibrils, and proceeding to a bundle of fibrils that form fibers. Here we report the development of an atomistically informed continuum model of collagenous tissue. Results from full atomistic and molecular modeling are linked with a continuum theory of a fiber-reinforced composite, handshaking the fibril scale to the fiber and continuum scale in a hierarchical multi-scale simulation approach. Our model enables us to study the continuum-level response of the tissue as a function of cross-link density, making a link between nanoscale collagen features and material properties at larger tissue scales. The results illustrate a strong dependence of the continuum response as a function of nanoscopic structural features, providing evidence for the notion that the molecular basis for protein materials is important in defining their larger-scale mechanical properties. © 2009 Biomedical Engineering Society.
Temperature Dependences of Mechanisms Responsible for the Water-Vapor Continuum Absorption
Ma, Qiancheng
2014-01-01
The water-vapor continuum absorption plays an important role in the radiative balance in the Earth's atmosphere. It has been experimentally shown that for ambient atmospheric conditions, the continuum absorption scales quadratically with the H2O number density and has a strong, negative temperature dependence (T dependence). Over the years, there have been three different theoretical mechanisms postulated: far-wings of allowed transition lines, water dimers, and collision-induced absorption. The first mechanism proposed was the accumulation of absorptions from the far-wings of the strong allowed transition lines. Later, absorption by water dimers was proposed, and this mechanism provides a qualitative explanation for the continuum characters mentioned above. Despite the improvements in experimental data, at present there is no consensus on which mechanism is primarily responsible for the continuum absorption.
Surface green function matching for a three-dimensional non-local continuum
International Nuclear Information System (INIS)
Idiodi, J.O.A.
1985-07-01
With a view toward helping to bridge the gap, from the continuum side, between discrete and continuum models of crystalline, elastic solids, explicit results are presented for non-local stress tensors that describe exactly some lattice dynamical models that have been widely used in the literature for cubic lattices. The Surface Green Function Matching (SGFM) method, which has been used successfully for a variety of surface problems, is then extended, within a continuum approach, to a non-local continuum that models a three-dimensional discrete lattice. The practical use of the method is demonstrated by performing a fairly complete analytical study of the vibrational surface modes of the SCC semi-infinite medium. Some results are presented for the [100] direction of the (001) surface of the SCC lattice. (author)
Far-infrared and submillimeter spectroscopy of photodissociation regions
International Nuclear Information System (INIS)
Qaiyum, A.
1993-12-01
The physical properties of the galactic and extragalactic photodissociation regions, warm gas components molecular clouds are, generally, derived through the far-infrared (FIR) fine structure and submillimeter line emissions arising out of these regions. In the theoretical studies of these lines the model of Tielens and Hollenbach (herein after referred as TH) are usually employed in which all the opacity is assumed local in escape probability formalism and inward directed photons do not escape. These assumptions are contrary to the observational facts, where most of the lines are found optically thin except OI (63 μm) and low rotational transitions of CO and some other molecules. The optically thin medium will allow the radiation to escape through any face of the region. These observational evidences let us to assume finite parallel plane slab, instead of semi-infinite parallel slab, in which the photons are allowed to escape from both surfaces (back and front). In the present study an attempt has been made to incorporate the two sided escape of photons from the PDRs and to study its effect on the FIR and submillimeter line emission from the PDRs/molecular clouds. Further the present formalism is also employed to study the clumpy PDRs/molecular clouds. The preliminary results show that now serious consequences are found on the thermal and chemical structure of the regions but individual line emissions are modified by differing factors. Particularly at low density and low kinetic temperature the change is substantial but at density greater than the critical density of the line and temperature close to the excitation temperature its effect is almost negligible. An attempt has also been made to study the physical conditions of the M17 region employing the present formalism. (author). 49 refs, 8 figs, 1 tab
Treatment of continuum in weakly bound systems in structure and reactions
Energy Technology Data Exchange (ETDEWEB)
Vitturi, Andrea [Dipartimento di Fisica and INFN, Padova (Italy); Perez-Bernal, Francisco [Facultad de Ciencias Experimentales, Departamento de Fisica Aplicada, Universidad de Huelva, Huelva (Spain)
2010-03-01
We investigate different treatments of continuum states in a simple structure case: two particles moving in a one-dimensional mean field and interacting via a density-dependent short range residual interaction. We find that in procedures that involve continuum discretization a rather large basis has to be used in order to get convergence to the exact results, in particular for the radial dependence of the two-particle wave function. This may lead to unpracticable situations in the case of many interacting particles in the continuum.
Elementary Continuum Mechanics for Everyone
DEFF Research Database (Denmark)
Byskov, Esben
numerical method, the finite element method, including means of mending inherent problems •An informal, yet precise exposition that emphasizes not just how a topic is treated, but discusses why a particular choice is made The book opens with a derivation of kinematically nonlinear 3-D continuum mechanics...
Continuum analogues of contragredient Lie algebras
International Nuclear Information System (INIS)
Saveliev, M.V.; Vershik, A.M.
1989-03-01
We present an axiomatic formulation of a new class of infinite-dimensional Lie algebras - the generalizations of Z-graded Lie algebras with, generally speaking, an infinite-dimensional Cartan subalgebra and a contiguous set of roots. We call such algebras ''continuum Lie algebras''. The simple Lie algebras of constant growth are encapsulated in our formulation. We pay particular attention to the case when the local algebra is parametrized by a commutative algebra while the Cartan operator (the generalization of the Cartan matrix) is a linear operator. Special examples of these algebras are the Kac-Moody algebras, algebras of Poisson brackets, algebras of vector fields on a manifold, current algebras, and algebras with differential or integro-differential Cartan operator. The nonlinear dynamical systems associated with the continuum contragredient Lie algebras are also considered. (author). 9 refs
Solar radio continuum storms and a breathing magnetic field model. Final report
International Nuclear Information System (INIS)
1975-01-01
Radio noise continuum emissions observed in metric and decametric wave frequencies are, in general, associated with actively varying sunspot groups accompanied by the S-component of microwave radio emissions. These continuum emission sources, often called type I storm sources, are often associated with type III burst storm activity from metric to hectometric wave frequencies. This storm activity is, therefore, closely connected with the development of these continuum emission sources. It is shown that the S-component emission in microwave frequencies generally precedes, by several days, the emission of these noise continuum storms of lower frequencies. In order for these storms to develop, the growth of sunspot groups into complex types is very important in addition to the increase of the average magnetic field intensity and area of these groups. After giving a review on the theory of these noise continuum storm emissions, a model is briefly considered to explain the relation of the emissions to the storms
Optimal kernel shape and bandwidth for atomistic support of continuum stress
International Nuclear Information System (INIS)
Ulz, Manfred H; Moran, Sean J
2013-01-01
The treatment of atomistic scale interactions via molecular dynamics simulations has recently found favour for multiscale modelling within engineering. The estimation of stress at a continuum point on the atomistic scale requires a pre-defined kernel function. This kernel function derives the stress at a continuum point by averaging the contribution from atoms within a region surrounding the continuum point. This averaging volume, and therefore the associated stress at a continuum point, is highly dependent on the bandwidth and shape of the kernel. In this paper we propose an effective and entirely data-driven strategy for simultaneously computing the optimal shape and bandwidth for the kernel. We thoroughly evaluate our proposed approach on copper using three classical elasticity problems. Our evaluation yields three key findings: firstly, our technique can provide a physically meaningful estimation of kernel bandwidth; secondly, we show that a uniform kernel is preferred, thereby justifying the default selection of this kernel shape in future work; and thirdly, we can reliably estimate both of these attributes in a data-driven manner, obtaining values that lead to an accurate estimation of the stress at a continuum point. (paper)
BCS equations in the continuum
International Nuclear Information System (INIS)
Sandulescu, N.; Liotta, R. J.; Wyss, R.
1998-01-01
The properties of nuclei close to the drip line are significantly influenced by the continuum part of the single-particle spectrum. The main role is played by the resonant states which are largely confined in the region of nuclear potential and therefore stronger coupled with the bound states in an excitation process. Resonant states are also important in the nuclei beyond the drip line. In this case the decay properties of the nucleus can be directly related to the widths of the narrow resonances occupied by the unbound nucleons. The aim of this work is to propose an alternative for evaluating the effect of the resonant part of single-particle spectrum on the pairing correlations calculated within the BCS approximation. We estimated the role of resonances in the case of the isotope 170 Sn. The Resonant-BCS (RBCS) equations are solved for the case of a seniority force. The BCS approximation based on a seniority force cannot be applied in the case of a nucleus immersed in a box if all discrete states simulating the continuum are considered. In such a case the pairing correlations will increase with the number of states in the box. In our case one can still apply a seniority force with RBCS because the effect of the continuum appears here through a finite number of physical resonances, well defined by the given mean field. Because these resonances have a spatial distribution concentrated within the region of the nuclear potential, one expects that the localization probability of nucleons, far out from the nuclear surface, to be small. The gap obtained taking correctly the contribution of resonances, according to RBCS equations, is about 1.3 MeV, while pairing gap calculated only with the bound single-particle spectrum has the value Δ = 1.10 MeV. If we introduce also the resonant states, neglecting completely their widths, the gap will increase to the value Δ = 1.880 MeV. Therefore, one cannot estimate properly the pairing correlations by supplementing the spectrum
Relativistic continuum random phase approximation in spherical nuclei
International Nuclear Information System (INIS)
Daoutidis, Ioannis
2009-01-01
Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)
Modeling of Continuum Manipulators Using Pythagorean Hodograph Curves.
Singh, Inderjeet; Amara, Yacine; Melingui, Achille; Mani Pathak, Pushparaj; Merzouki, Rochdi
2018-05-10
Research on continuum manipulators is increasingly developing in the context of bionic robotics because of their many advantages over conventional rigid manipulators. Due to their soft structure, they have inherent flexibility, which makes it a huge challenge to control them with high performances. Before elaborating a control strategy of such robots, it is essential to reconstruct first the behavior of the robot through development of an approximate behavioral model. This can be kinematic or dynamic depending on the conditions of operation of the robot itself. Kinematically, two types of modeling methods exist to describe the robot behavior; quantitative methods describe a model-based method, and qualitative methods describe a learning-based method. In kinematic modeling of continuum manipulator, the assumption of constant curvature is often considered to simplify the model formulation. In this work, a quantitative modeling method is proposed, based on the Pythagorean hodograph (PH) curves. The aim is to obtain a three-dimensional reconstruction of the shape of the continuum manipulator with variable curvature, allowing the calculation of its inverse kinematic model (IKM). It is noticed that the performances of the PH-based kinematic modeling of continuum manipulators are considerable regarding position accuracy, shape reconstruction, and time/cost of the model calculation, than other kinematic modeling methods, for two cases: free load manipulation and variable load manipulation. This modeling method is applied to the compact bionic handling assistant (CBHA) manipulator for validation. The results are compared with other IKMs developed in case of CBHA manipulator.
Relativistic continuum random phase approximation in spherical nuclei
Energy Technology Data Exchange (ETDEWEB)
Daoutidis, Ioannis
2009-10-01
Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)
Chemolli, Emanuela; Gagné, Marylène
2014-06-01
Self-determination theory (SDT) proposes a multidimensional conceptualization of motivation in which the different regulations are said to fall along a continuum of self-determination. The continuum has been used as a basis for using a relative autonomy index as a means to create motivational scores. Rasch analysis was used to verify the continuum structure of the Multidimensional Work Motivation Scale and of the Academic Motivation Scale. We discuss the concept of continuum against SDT's conceptualization of motivation and argue against the use of the relative autonomy index on the grounds that evidence for a continuum structure underlying the regulations is weak and because the index is statistically problematic. We suggest exploiting the full richness of SDT's multidimensional conceptualization of motivation through the use of alternative scoring methods when investigating motivational dynamics across life domains.
Mandal, Anuvab; Singh, Param Jeet; Shastri, Aparna; Sunanda, K.; Jagatap, B. N.
2015-05-01
Photoabsorption and photodissociation studies of dimethyl sulphoxide and its deuterated isotopologue (DMSO-h6 and DMSO-d6) are performed using synchrotron radiation in the 35,000-80,000 cm-1 region. In the photoabsorption spectrum, Rydberg series converging to the first three ionization potentials of DMSO at 9.1, 10.1 and 12.3 eV corresponding to removal of an electron from the highest three occupied molecular orbitals (14a‧, 7a″ and 13a‧) are observed. Based on a quantum defect analysis, Rydberg series assignments are extended to higher members as compared to earlier works and a few ambiguities in earlier assignments are clarified. Analysis is aided by quantum chemical calculations using the DFT and TDDFT methodologies. Vibronic structures observed in the spectrum of DMSO-h6 in the regions 7.7-8.1 eV and 8.1-8.8 eV are attributed to the transitions 7a″→4p at 7.862 eV and 14a‧→6s/4d at 8.182 eV, respectively. Photoabsorption spectra of DMSO-h6 and -d6 recorded using a broad band incident radiation show prominent peaks, which are identified and assigned to electronic and vibronic transitions of the SO radical. This provides a direct confirmation of the fact that DMSO preferentially dissociates into CH3 and SO upon UV-VUV excitation, as proposed in earlier photodissociation studies. An extended vibronic band system associated with the e1Π-X3Σ- transition of the SO radical is identified and assigned. The complete VUV photoabsorption spectrum of DMSO-d6 is also reported here for the first time.
Coarse-to-Fine Segmentation with Shape-Tailored Continuum Scale Spaces
Khan, Naeemullah
2017-11-09
We formulate an energy for segmentation that is designed to have preference for segmenting the coarse over fine structure of the image, without smoothing across boundaries of regions. The energy is formulated by integrating a continuum of scales from a scale space computed from the heat equation within regions. We show that the energy can be optimized without computing a continuum of scales, but instead from a single scale. This makes the method computationally efficient in comparison to energies using a discrete set of scales. We apply our method to texture and motion segmentation. Experiments on benchmark datasets show that a continuum of scales leads to better segmentation accuracy over discrete scales and other competing methods.
Coarse-to-Fine Segmentation with Shape-Tailored Continuum Scale Spaces
Khan, Naeemullah; Hong, Byung-Woo; Yezzi, Anthony; Sundaramoorthi, Ganesh
2017-01-01
We formulate an energy for segmentation that is designed to have preference for segmenting the coarse over fine structure of the image, without smoothing across boundaries of regions. The energy is formulated by integrating a continuum of scales from a scale space computed from the heat equation within regions. We show that the energy can be optimized without computing a continuum of scales, but instead from a single scale. This makes the method computationally efficient in comparison to energies using a discrete set of scales. We apply our method to texture and motion segmentation. Experiments on benchmark datasets show that a continuum of scales leads to better segmentation accuracy over discrete scales and other competing methods.
Integral equation hierarchy for continuum percolation
International Nuclear Information System (INIS)
Given, J.A.
1988-01-01
In this thesis a projection operator technique is presented that yields hierarchies of integral equations satisfied exactly by the n-point connectedness functions in a continuum version of the site-bond percolation problem. The n-point connectedness functions carry the same structural information for a percolation problem as then-point correlation functions do for a thermal problem. This method extends the Potts model mapping of Fortuin and Kastelyn to the continuum by exploiting an s-state generalization of the Widom-Rowlinson model, a continuum model for phase separation. The projection operator technique is used to produce an integral equation hierarchy for percolation similar to the Born-Green heirarchy. The Kirkwood superposition approximation (SA) is extended to percolation in order to close this hierarchy and yield a nonlinear integral equation for the two-point connectedness function. The fact that this function, in the SA, is the analytic continuation to negative density of the two-point correlation function in a corresponding thermal problem is discussed. The BGY equation for percolation is solved numerically, both by an expansion in powers of the density, and by an iterative technique due to Kirkwood. It is argued both analytically and numerically, that the BYG equation for percolation, unlike its thermal counterpart, shows non-classical critical behavior, with η = 1 and γ = 0.05 ± .1. Finally a sequence of refinements to the superposition approximations based in the theory of fluids by Rice and Lekner is discussed
Stonefly (Plecoptera) Feeding Modes: Variation Along a California River Continuum
Richard L. Bottorff; Allen W. Knight
1989-01-01
The distribution of Plecoptera along a California river was used to test several predictions of the River Continuum Concept about how functional feeding groups should change along a stream's length. Stoneflies were collected from stream orders 1-6 (123 km) of the Cosumnes River continuum in the central Sierra Nevada. The 69 stonefly species collected were...
Infrared photodissociation spectroscopy of M(N2)n(+) (M = Y, La, Ce; n = 7-8) in the gas phase.
Xie, Hua; Shi, Lei; Xing, Xiaopeng; Tang, Zichao
2016-02-14
M(N2)n(+) (M = Y, La, Ce; n = 7-8) complexes have been studied by infrared photodissociation (IRPD) spectroscopy and density functional theory (DFT) calculations. The experimental results indicate that the N-N stretching vibrational frequencies are red-shifted from the gas-phase N2 value. The π back-donation is found to be a main contributor in these systems. IRPD spectra and DFT calculations reveal the coexistence of two isomers in the seven-coordinate M(N2)7(+) and eight-coordinate M(N2)8(+) complexes, respectively. The present studies on these metal-nitrogen complexes shed light on the interactions and coordinations toward N2 with transition and lanthanide metals.
Morrison, Lindsay J; Chai, Wenrui; Rosenberg, Jake A; Henkelman, Graeme; Brodbelt, Jennifer S
2017-08-02
Determination of structure and folding of certain classes of proteins remains intractable by conventional structural characterization strategies and has spurred the development of alternative methodologies. Mass spectrometry-based approaches have a unique capacity to differentiate protein heterogeneity due to the ability to discriminate populations, whether minor or major, featuring modifications or complexation with non-covalent ligands on the basis of m/z. Cleavage of the peptide backbone can be further utilized to obtain residue-specific structural information. Here, hydrogen elimination monitoring (HEM) upon ultraviolet photodissociation (UVPD) of proteins transferred to the gas phase via nativespray ionization is introduced as an innovative approach to deduce backbone hydrogen bonding patterns. Using well-characterized peptides and a series of proteins, prediction of the engagement of the amide carbonyl oxygen of the protein backbone in hydrogen bonding using UVPD-HEM is demonstrated to show significant agreement with the hydrogen-bonding motifs derived from molecular dynamics simulations and X-ray crystal structures.
Improved production of Br atoms near zero speed by photodissociating laser aligned Br2 molecules.
Deng, L Z; Yin, J P
2014-10-28
We theoretically investigated the improvement on the production rate of the decelerated bromine (Br) atoms near zero speed by photodissociating laser aligned Br2 precursors. Adiabatic alignment of Br2 precursors exposed to long laser pulses with duration on the order of nanoseconds was investigated by solving the time-dependent Schrödinger equation. The dynamical fragmentation of adiabatically aligned Br2 precursors was simulated and velocity distribution of the Br atoms produced was analyzed. Our study shows that the larger the degree of the precursor alignment, ⟨cos(2) θ⟩, the higher the production rate of the decelerated Br atoms near zero speed. For Br2 molecules with an initial rotational temperature of ~1 K, a ⟨cos(2) θ⟩ value of ~0.88 can result in an improvement factor of over ~20 on the production rate of the decelerated Br atoms near zero speed, requiring a laser intensity of only ~1 × 10(12) W/cm(2) for alignment.
Commitment to Quality throughout the Continuum.
Gillet, Pamela
1995-01-01
This editorial by the president of the Council for Exceptional Children indicates the organization's support of a continuum of special education placements for students with special needs and calls for improving transition of students from one placement to another. (JDD)
Reverberation Mapping of the Continuum Source in Active Galactic Nuclei
Fausnaugh, Michael Martin
I present results from a monitoring campaign of 11 active galactic nuclei (AGN) conducted in Spring of 2014. I use the reverberation mapping method to probe the interior structures of the AGN, specifically the broad line regions (BLRs) and accretion disks. One of these AGN, NGC 5548, was also subject to multi-wavelength (X-ray, UV, optical, and near-IR) monitoring using 25 ground-based telescopes and four space-based facilities. For NGC 5548, I detect lags between the continuum emission at different wavelengths that follow a trend consistent with the prediction for continuum reprocessing by an accretion disk with temperature profile T ∝ R -3/4. However, the lags imply a disk radius that is 3 times larger than the prediction from standard thin-disk models. The lags at wavelengths longer than the Vband are also equal to or greater than the lags of high-ionization-state emission lines (such as HeII lambda1640 and lambda4686), suggesting that the continuum-emitting source is of a physical size comparable to the inner broad-line region. Using optical spectra from the Large Binocular Telescope, I estimate the bias of the interband continuum lags due to BLR emission observed in the filters, and I find that the bias for filters with high levels of BLR contamination (˜20%) can be important for the shortest continuum lags. This likely has a significant impact on the u and U bands owing to Balmer continuum emission. I then develop a new procedure for the internal (night-to-night) calibration of time series spectra that can reach precisions of ˜1 millimagnitude and improves traditional techniques by up to a factor of 5. At this level, other systematic issues (e.g., the nightly sensitivity functions and Fe II contamination) limit the final precision of the observed light curves. Using the new calibration method, I next present the data and first results from the optical spectroscopic monitoring component of the reverberation mapping campaign. Five AGN were sufficiently
Lattice fluid dynamics from perfect discretizations of continuum flows
International Nuclear Information System (INIS)
Katz, E.; Wiese, U.
1998-01-01
We use renormalization group methods to derive equations of motion for large scale variables in fluid dynamics. The large scale variables are averages of the underlying continuum variables over cubic volumes and naturally exist on a lattice. The resulting lattice dynamics represents a perfect discretization of continuum physics, i.e., grid artifacts are completely eliminated. Perfect equations of motion are derived for static, slow flows of incompressible, viscous fluids. For Hagen-Poiseuille flow in a channel with a square cross section the equations reduce to a perfect discretization of the Poisson equation for the velocity field with Dirichlet boundary conditions. The perfect large scale Poisson equation is used in a numerical simulation and is shown to represent the continuum flow exactly. For nonsquare cross sections one can use a numerical iterative procedure to derive flow equations that are approximately perfect. copyright 1998 The American Physical Society
Alfven continuum and high-frequency eigenmodes in optimized stellarators
International Nuclear Information System (INIS)
Kolesnichenko, Ya.I.; Lutsenko, V.V.; Wobig, H.; Yakovenko, Yu.V.; Fesenyuk, O.P.
2001-01-01
An equation of shear Alfven eigenmodes (AE) in optimized stellarators of Wendelstein line (Helias configurations) is derived. The metric tensor coefficients, which are contained in this equation, are calculated analytically. Two numerical codes are developed: the first one, COBRA (COntinuum BRanches of Alfven waves), is intended for the investigation of the structure of Alfven continuum; the second, BOA (Branches Of Alfven modes), solves the eigenvalue problem. The family of possible gaps in Alfven continuum of a Helias configuration is obtained. It is predicted that there exist gaps which arise due to or are strongly affected by the variation of the shape of the plasma cross section along the large azimuth of the torus. In such gaps, discrete eigenmodes, namely, helicity-induced eigenmodes (HAE 21 ) and mirror-induced eigenmodes (MAE) are found. It is shown that plasma inhomogeneity may suppress the AEs with a wide region of localization
Discrete-to-continuum modelling of weakly interacting incommensurate two-dimensional lattices.
Español, Malena I; Golovaty, Dmitry; Wilber, J Patrick
2018-01-01
In this paper, we derive a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The starting point is a discrete atomistic model for the two lattices which are assumed to have slightly different lattice parameters and, possibly, a small relative rotation. This is a prototypical example of a three-dimensional system consisting of a graphene sheet suspended over a substrate. We use a discrete-to-continuum procedure to obtain the continuum model which recovers both qualitatively and quantitatively the behaviour observed in the corresponding discrete model. The continuum model predicts that the deformable lattice develops a network of domain walls characterized by large shearing, stretching and bending deformation that accommodates the misalignment and/or mismatch between the deformable and rigid lattices. Two integer-valued parameters, which can be identified with the components of a Burgers vector, describe the mismatch between the lattices and determine the geometry and the details of the deformation associated with the domain walls.
A continuum model for pressure-flow relationship in human pulmonary circulation.
Huang, Wei; Zhou, Qinlian; Gao, Jian; Yen, R T
2011-06-01
A continuum model was introduced to analyze the pressure-flow relationship for steady flow in human pulmonary circulation. The continuum approach was based on the principles of continuum mechanics in conjunction with detailed measurement of vascular geometry, vascular elasticity and blood rheology. The pulmonary arteries and veins were considered as elastic tubes and the "fifth-power law" was used to describe the pressure-flow relationship. For pulmonary capillaries, the "sheet-flow" theory was employed and the pressure-flow relationship was represented by the "fourth-power law". In this paper, the pressure-flow relationship for the whole pulmonary circulation and the longitudinal pressure distribution along the streamlines were studied. Our computed data showed general agreement with the experimental data for the normal subjects and the patients with mitral stenosis and chronic bronchitis in the literature. In conclusion, our continuum model can be used to predict the changes of steady flow in human pulmonary circulation.
Isotope separation of 17O by photodissociation of ozone with near-infrared laser irradiation
Hayashida, Shigeru; Kambe, Takashi; Sato, Tetsuya; Igarashi, Takehiro; Kuze, Hiroaki
2012-04-01
Oxygen-17 is a stable oxygen isotope useful for various diagnostics in both engineering and medical applications. Enrichment of 17O, however, has been very costly due to the lack of appropriate methods that enable efficient production of 17O on an industrial level. In this paper, we report the first 17O-selective photodissociation of ozone at a relatively high pressure, which has been achieved by irradiating a gas mixture of 10 vol% O3-90 vol% CF4 with narrowband laser. The experiment was conducted on a pilot-plant scale. A total laser power of 1.6 W was generated by external-cavity diode lasers with all the laser wavelengths fixed at the peak of an absorption line of 16O16O17O around 1 μm. The beams were introduced into a 25 -m long photoreaction cell under the sealed-off condition with a total pressure of 20 kPa. Lower cell temperature reduced the background decomposition of ozone, and at the temperature of 158 K, an 17O enrichment factor of 2.2 was attained.
Shape Modeling of a Concentric-tube Continuum Robot
DEFF Research Database (Denmark)
Bai, Shaoping; Xing, Charles Chuhao
2012-01-01
Concentric-tube continuum robots feature with simple and compact structures and have a great potential in medical applications. The paper is concerned with the shape modeling of a type of concentric-tube continuum robot built with a collection of super-elastic NiTiNol tubes. The mechanics...... is modeled on the basis of energy approach for both the in-plane and out-plane cases. The torsional influences on the shape of the concentric-tube robots are considered. An experimental device was build for the model validation. The results of simulation and experiments are included and analyzed....
Fractional Quantum Field Theory: From Lattice to Continuum
Directory of Open Access Journals (Sweden)
Vasily E. Tarasov
2014-01-01
Full Text Available An approach to formulate fractional field theories on unbounded lattice space-time is suggested. A fractional-order analog of the lattice quantum field theories is considered. Lattice analogs of the fractional-order 4-dimensional differential operators are proposed. We prove that continuum limit of the suggested lattice field theory gives a fractional field theory for the continuum 4-dimensional space-time. The fractional field equations, which are derived from equations for lattice space-time with long-range properties of power-law type, contain the Riesz type derivatives on noninteger orders with respect to space-time coordinates.
Towards an improved continuum theory for phase transformations
International Nuclear Information System (INIS)
Tijssens, M.G.A.; James, R.D.
2003-01-01
We develop a continuum theory for martensitic phase transformations in which explicit use is made of atomistic calculations based on density functional theory. Following the work of Rabe and coworkers, branches of the phonon-dispersion relation with imaginary frequencies are selected to construct a localized basis tailored to the symmetry of the crystal lattice. This so-called Wannier basis helps to construct an effective Hamiltonian of a particularly simple form. We extend the methodology by incorporating finite deformations and passing the effective Hamiltonian fully to continuum level. The developments so far are implemented on the shape memory material NiTi
State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion
Zammit, Mark C.; Savage, Jeremy S.; Colgan, James; Fursa, Dmitry V.; Kilcrease, David P.; Bray, Igor; Fontes, Christopher J.; Hakel, Peter; Timmermans, Eddy
2017-12-01
We present state-resolved (electronic, vibrational, and rotational) cross sections and rate coefficients for the photodissociation (PD) of {{{H}}}2+ and radiative association (RA) of H–H+. We developed a fully quantum mechanical approach within the nonrelativistic Born–Oppenheimer approximation to describe {{{H}}}2+ and calculate the data for transitions between the ground electronic state 1s{σ }g and the 2p{σ }u, 2p{π }u, 3p{σ }u, 3p{π }u, 4p{σ }u, 4f{σ }u, 4f{π }u, and 4p{π }u electronic states (i.e., up to {{{H}}}2+ n = 4). Tables of the dipole-matrix elements and energies needed to calculate state-resolved cross sections and rate coefficients will be made publicly available. These data could be important in astrophysical models when dealing with photon wavelengths (or radiation temperature distributions that are weighted toward such wavelengths) around 100 nm. For example, at these wavelengths and a material temperature of 8400 K, the LTE-averaged PD cross section via the (second electronically excited) 2p{π }u state is over three times larger than the PD cross section via the (first electronically excited) 2p{σ }u state.
1968-01-01
5 The symposium was held in Freudenstadt from 28\\h to 31 \\ ofAugust st nd 1967 and in Stuttgart from 1 to 2 of September 1967. The proposal to hold this symposium originated with the German Society of Applied Mathematics and Mechanics (GAMM) late in 1964 and was examined by a committee of IUTAM especially appointed for this purpose. The basis of this examination was a report in which the present situation in the field and the possible aims of the symposium were surveyed. Briefly, the aims of the symposium were stated to be 1. the unification of the various approaches developed in recent years with the aim of penetrating into the microscopic world of matter by means of continuum theories; 2. the bridging of the gap between microscopic (or atomic) research on mechanics on one hand, and the phenomenological (or continuum mechanical) approach on the other hand; 3. the physical interpretation and the relation to actual material behaviour of the quantities and laws introduced into the new theories, together with ap...
Directory of Open Access Journals (Sweden)
Himanshu Sharma
2016-07-01
Full Text Available Due to its roots in fundamental thermodynamic framework, continuum damage approach is popular for modeling asphalt concrete behavior. Currently used continuum damage models use mixture averaged values for model parameters and assume deterministic damage process. On the other hand, significant scatter is found in fatigue data generated even under extremely controlled laboratory testing conditions. Thus, currently used continuum damage models fail to account the scatter observed in fatigue data. This paper illustrates a novel approach for probabilistic fatigue life prediction based on viscoelastic continuum damage approach. Several specimens were tested for their viscoelastic properties and damage properties under uniaxial mode of loading. The data thus generated were analyzed using viscoelastic continuum damage mechanics principles to predict fatigue life. Weibull (2 parameter, 3 parameter and lognormal distributions were fit to fatigue life predicted using viscoelastic continuum damage approach. It was observed that fatigue damage could be best-described using Weibull distribution when compared to lognormal distribution. Due to its flexibility, 3-parameter Weibull distribution was found to fit better than 2-parameter Weibull distribution. Further, significant differences were found between probabilistic fatigue curves developed in this research and traditional deterministic fatigue curve. The proposed methodology combines advantages of continuum damage mechanics as well as probabilistic approaches. These probabilistic fatigue curves can be conveniently used for reliability based pavement design. Keywords: Probabilistic fatigue curve, Continuum damage mechanics, Weibull distribution, Lognormal distribution
Continuum-mediated dark matter–baryon scattering
Katz, Andrey; Sajjad, Aqil
2016-01-01
Many models of dark matter scattering with baryons may be treated either as a simple contact interaction or as the exchange of a light mediator particle. We study an alternative, in which a continuum of light mediator states may be exchanged. This could arise, for instance, from coupling to a sector which is approximately conformal at the relevant momentum transfer scale. In the non-relativistic effective theory of dark matter-baryon scattering, which is useful for parametrizing direct detection signals, the effect of such continuum mediators is to multiply the amplitude by a function of the momentum transfer q, which in the simplest case is just a power law. We develop the basic framework and study two examples: the case where the mediator is a scalar operator coupling to the Higgs portal (which turns out to be highly constrained) and the case of an antisymmetric tensor operator ${\\cal O}_{\\mu \
Comet Halley: An optical continuum study
International Nuclear Information System (INIS)
Hoban, S.M.
1989-01-01
From an analysis of narrowband CCD images of Comet Halley from 1986 January, March, and April, certain dust structures which are redder than the remainder of the dust coma have become apparent. Mie calculations suggest that this reddening is due to an enhancement of particles with sizes comparable to the observing wavelengths. Although the mass range derived from the calculations presented here is somewhat uncertain as a result of the limitations of Mie theory, these values are in the expected range derived from the calculations presented here is somewhat uncertain as a result of particle sizes which would be both sensitive to radiation pressure and significantly reddened with respect to the solar spectrum at the observing wavelengths. Thus, the red envelopes are plausibly the result of size sorting by solar radiation pressure. The red jets observed on 1986 January 10, March 1 and March 9 can then be explained by the enhanced dust flux at the jet sources, and the subsequent trapping of a relative excess of intermediate mass (i.e. red) particles into the jets which are visible in the continuum images. Analysis of narrowband photometry of the optical continuum of Comet Halley reveals no correlation between the color of the dust and heliocentric distance, phase angle, strength of the continuum or gas-to-dust ratio. The photometric data are thus consistent with a post-ejection sorting mechanism. Chemical inhomogeneities of the nucleus are therefore not necessary to explain the observed structure in the color of the dust in Comet Halley
Energy Technology Data Exchange (ETDEWEB)
Xie, Changjian [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Zhu, Xiaolei; Yarkony, David R., E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Ma, Jianyi, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065 (China); Xie, Daiqian, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guo, Hua, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)
2015-03-07
Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH{sub 3}(X{sup ~1}A{sub 1}), full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH{sub 3}(X{sup ~1}A{sub 1}) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH{sub 2}(A{sup ~2}A{sub 1})/NH{sub 2}(X{sup ~2}B{sub 1}) branching ratio is found to be small regardless of the initial preparation of NH{sub 3}(X{sup ~1}A{sub 1}), while the internal state distribution of the preeminent fragment, NH{sub 2}(X{sup ~2}B{sub 1}), is found to depend strongly on the initial vibrational excitation of NH{sub 3}(X{sup ~1}A{sub 1}). The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH{sub 2}(X{sup ~2}B{sub 1}) fragment, rather than in NH{sub 2}(A{sup ~2}A{sub 1}) as previously proposed. The high internal excitation of the NH{sub 2}(X{sup ~2}B{sub 1}) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of NH{sub 3}. Thus in this system, contrary to previous assertions, the control of electronic state branching by selective excitation of ground state vibrational modes is concluded to be ineffective. The juxtaposition of precise quantum mechanical results with complementary results based on quasi-classical surface hopping trajectories provides significant insights into the non-adiabatic process.
International Nuclear Information System (INIS)
Blank, D.A.; Suits, A.G.; Lee, Y.T.; North, S.W.; Hall, G.E.
1998-01-01
We have investigated the photodissociation of acrylonitrile (H 2 CCHCN) at 193 nm using the technique of photofragment translational spectroscopy. The experiments were performed at the Chemical Dynamics Beamline at the Advanced Light Source and used tunable vacuum ultraviolet synchrotron radiation for product photoionization. We have identified four primary dissociation channels including atomic and molecular hydrogen elimination, HCN elimination, and CN elimination. There is significant evidence that all of the dissociation channels occur on the ground electronic surface following internal conversion from the initially optically prepared state. The product translational energy distributions reflect near statistical simple bond rupture for the radical dissociation channels, while substantial recombination barriers mediate the translational energy release for the two molecular elimination channels. Photoionization onsets have provided additional insight into the chemical identities of the products and their internal energy content. copyright 1998 American Institute of Physics
Spatial stochasticity and non-continuum effects in gas flows
Energy Technology Data Exchange (ETDEWEB)
Dadzie, S. Kokou, E-mail: k.dadzie@glyndwr.ac.uk [Mechanical and Aeronautical Engineering, Glyndwr University, Mold Road, Wrexham LL11 2AW (United Kingdom); Reese, Jason M., E-mail: jason.reese@strath.ac.uk [Department of Mechanical and Aerospace Engineering, University of Strathclyde, Glasgow G1 1XJ (United Kingdom)
2012-02-06
We investigate the relationship between spatial stochasticity and non-continuum effects in gas flows. A kinetic model for a dilute gas is developed using strictly a stochastic molecular model reasoning, without primarily referring to either the Liouville or the Boltzmann equations for dilute gases. The kinetic equation, a stochastic version of the well-known deterministic Boltzmann equation for dilute gas, is then associated with a set of macroscopic equations for the case of a monatomic gas. Tests based on a heat conduction configuration and sound wave dispersion show that spatial stochasticity can explain some non-continuum effects seen in gases. -- Highlights: ► We investigate effects of molecular spatial stochasticity in non-continuum regime. ► Present a simplify spatial stochastic kinetic equation. ► Present a spatial stochastic macroscopic flow equations. ► Show effects of the new model on sound wave dispersion prediction. ► Show effects of the new approach in density profiles in a heat conduction.
Kalita, Dhruba J; Rao, Akshay; Rajvanshi, Ishir; Gupta, Ashish K
2011-06-14
We have applied parametric equations of motion (PEM) to study photodissociation dynamics of H(2)(+). The resonances are extracted using smooth exterior scaling method. This is the first application of PEM to non-Hermitian Hamiltonian that includes resonances and the continuum. Here, we have studied how the different resonance states behave with respect to the change in field amplitude. The advantage of this method is that one can easily trace the different states that are changing as the field parameter changes.
Amplification of non-Markovian decay due to bound state absorption into continuum
International Nuclear Information System (INIS)
Garmon, S.; Simine, L.; Segal, D.; Petrosky, T.
2013-01-01
It is known that quantum systems yield non-exponential (power law) decay on long time scales, associated with continuum threshold effects contributing to the survival probability for a prepared initial state. For an open quantum system consisting of a discrete state coupled to continuum, we study the case in which a discrete bound state of the full Hamiltonian approaches the energy continuum as the system parameters are varied. We find in this case that at least two regions exist yielding qualitatively different power law decay behaviors; we term these the long time 'near zone' and long time 'far zone'. In the near zone the survival probability falls off according to a t -1 power law, and in the far zone i t falls off as t -3 . We show that the timescale T Q separating these two regions is inversely related to the gap between the discrete bound state energy and the continuum threshold. In the case that the bound state is absorbed into the continuum and vanishes, then the time scale T Q diverges and the survival probability follows the t -1 power law even on asymptotic scales. Conversely, one could study the case of an anti-bound state approaching the threshold before being ejected from the continuum to form a bound state. Again the t -1 power law dominates precisely at the point of ejection. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Mirrored continuum and molecular scale simulations of the ignition of gamma phase RDX
Stewart, D. Scott; Chaudhuri, Santanu; Joshi, Kaushik; Lee, Kibaek
2017-01-01
We describe the ignition of an explosive crystal of gamma-phase RDX due to a thermal hot spot with reactive molecular dynamics (RMD), with first-principles trained, reactive force field based molecular potentials that represents an extremely complex reaction network. The RMD simulation is analyzed by sorting molecular product fragments into high and low molecular weight groups, to represent identifiable components that can be interpreted by a continuum model. A continuum model based on a Gibbs formulation has a single temperature and stress state for the mixture. The continuum simulation that mirrors the atomistic simulation allows us to study the atomistic simulation in the familiar physical chemistry framework and provides an essential, continuum/atomistic link.
Moving contact lines: linking molecular dynamics and continuum-scale modelling.
Smith, Edward R; Theodorakis, Panagiotis E; Craster, Richard V; Matar, Omar K
2018-05-04
Despite decades of research, the modelling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily-life applications. On the one hand, molecular dynamics (MD) simulation has the ability to provide unique insight into the microscopic details that determine the dynamic behavior of the contact line, which is not possible with either continuum-scale simulations or experiments. On the other hand, continuum-based models provide the link to the macroscopic description of the system. In this Feature Article, we explore the complex range of physical factors, including the presence of surfactants, which govern the contact line motion through MD simulations. We also discuss links between continuum- and molecular-scale modelling, and highlight the opportunities for future developments in this area.
An advanced kinetic theory for morphing continuum with inner structures
Chen, James
2017-12-01
Advanced kinetic theory with the Boltzmann-Curtiss equation provides a promising tool for polyatomic gas flows, especially for fluid flows containing inner structures, such as turbulence, polyatomic gas flows and others. Although a Hamiltonian-based distribution function was proposed for diatomic gas flow, a general distribution function for the generalized Boltzmann-Curtiss equations and polyatomic gas flow is still out of reach. With assistance from Boltzmann's entropy principle, a generalized Boltzmann-Curtiss distribution for polyatomic gas flow is introduced. The corresponding governing equations at equilibrium state are derived and compared with Eringen's morphing (micropolar) continuum theory derived under the framework of rational continuum thermomechanics. Although rational continuum thermomechanics has the advantages of mathematical rigor and simplicity, the presented statistical kinetic theory approach provides a clear physical picture for what the governing equations represent.
Unexpected strong attraction in the presence of continuum bound state
International Nuclear Information System (INIS)
Delfino, A.; Frederico, T.
1992-06-01
The result of few-particle ground-state calculation employing a two-particle non-local potential supporting a continuum bound state in addition to a negative-energy bound state has occasionally revealed unexpected large attraction in producing a very strongly bound ground state. In the presence of the continuum bound state the difference of phase shift between zero and infinite energies has an extra jump of φ as in the presence of an additional bound state. The wave function of the continuum bound state is identical with that of a strongly bound negative-energy state, which leads us to postulate a pseudo bound state in the two-particle system in order to explain the unexpected attraction. The role of the Pauli forbidden states is expected to be similar to these pseudo states. (author)
Use of a finite range nucleon-nucleon interaction in the continuum shell model
International Nuclear Information System (INIS)
Faes, Jean-Baptiste
2007-01-01
The unification of nuclear structure and nuclear reactions was always a great challenge of nuclear physics. The extreme complexity of finite quantum systems lead in the past to a separate development of the nuclear structure and the nuclear reactions. A unified description of structure and reactions is possible within the continuum shell model. All previous applications of this model used the zero-range residual interaction and the finite depth local potential to generate the single-particle basis. In the thesis, we have presented an extension of the continuum shell model for finite-range nucleon-nucleon interaction and an arbitrary number of nucleons in the scattering continuum. The great advantage of the present formulation is the same two-body interaction used both to generate the single-particle basis and to describe couplings to the continuum states. This formulation opens a possibility for an ab initio continuum shell model studies with the same nucleon-nucleon interaction generating the nuclear mean field, the configuration mixing and the coupling to the scattering continuum. First realistic applications of the above model has been shown for spectra of "1"7F and "1"7O, and elastic phase-shifts in the reaction "1"6O(p, p)"1"6O. (author)
Hybrid continuum-coarse-grained modeling of erythrocytes
Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc
2018-06-01
The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.
Haro 11: Where is the Lyman Continuum Source?
Energy Technology Data Exchange (ETDEWEB)
Keenan, Ryan P.; Oey, M. S. [Department of Astronomy, University of Michigan, 1085 South University Avenue, Ann Arbor, MI 48109 (United States); Jaskot, Anne E. [Department of Astronomy, Smith College, Northampton, MA 01063 (United States); James, Bethan L. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States)
2017-10-10
Identifying the mechanism by which high-energy Lyman continuum (LyC) photons escaped from early galaxies is one of the most pressing questions in cosmic evolution. Haro 11 is the best known local LyC-leaking galaxy, providing an important opportunity to test our understanding of LyC escape. The observed LyC emission in this galaxy presumably originates from one of the three bright, photoionizing knots known as A, B, and C. It is known that Knot C has strong Ly α emission, and Knot B hosts an unusually bright ultraluminous X-ray source, which may be a low-luminosity active galactic nucleus. To clarify the LyC source, we carry out ionization-parameter mapping (IPM) by obtaining narrow-band imaging from the Hubble Space Telescope WFC3 and ACS cameras to construct spatially resolved ratio maps of [O iii]/[O ii] emission from the galaxy. IPM traces the ionization structure of the interstellar medium and allows us to identify optically thin regions. To optimize the continuum subtraction, we introduce a new method for determining the best continuum scale factor derived from the mode of the continuum-subtracted, image flux distribution. We find no conclusive evidence of LyC escape from Knots B or C, but instead we identify a high-ionization region extending over at least 1 kpc from Knot A. This knot shows evidence of an extremely young age (≲1 Myr), perhaps containing very massive stars (>100 M {sub ⊙}). It is weak in Ly α , so if it is confirmed as the LyC source, our results imply that LyC emission may be independent of Ly α emission.
The quantum and the continuum : Einstein's dichotomous legacies
International Nuclear Information System (INIS)
Majumdar, Parthasarathi
2015-01-01
This talk begins with a summary of some of Einstein's seminal contributions in the quantum domain, like Brownian motion and the Light Quantum Hypothesis, as well as on the spacetime continuum enshrined in the theories of special and general relativity. Following up on Einstein's rationale for postulating the Light Quantum Hypothesis, we attempt to point to a possible dichotomy in his thinking about these two legacies of his, which may have been noticed by him, but was not much discussed by him in the public domain. One may speculate that this may have had something to do with his well-known distaste for the probability interpretation of quantum mechanics as a fundamental interpretation. We argue that Einstein's general relativity theory itself contains the seeds of a dramatic modification of our ideas of the Einsteinian spacetime continuum, thus underlining the dichotomy even more strongly. We then survey one modern attempt to resolve the dichotomy, at least partly, by bringing into the spacetime continuum, aspects of quantum mechanics with its underlying statistical interpretation, an approach which Einstein may not have whole-heartedly endorsed, but which seems to work so far, with good prospects for the future. (author)
Variational principles of continuum mechanics. Vol. 1. Fundamentals
Energy Technology Data Exchange (ETDEWEB)
Berdichevsky, Victor L. [Wayne State Univ., Detroit, MI (United States). Dept. of Mechanical Engineering
2009-07-01
The book reviews the two features of the variational approach: its use as a universal tool to describe physical phenomena and as a source for qualitative and quantitative methods of studying particular problems. Berdichevsky's work differs from other books on the subject in focusing mostly on the physical origin of variational principles as well as establishing their interrelations. For example, the Gibbs principles appear as a consequence of the Einstein formula for thermodynamic fluctuations rather than as the first principles of the theory of thermodynamic equilibrium. Mathematical issues are considered as long as they shed light on the physical outcomes and/or provide a useful technique for the direct study of variational problems. In addition, a thorough account of variational principles discovered in various branches of continuum mechanics is given. In this book, the first volume, the author covers the variational principles for systems with a finite number of degrees of freedom; the variational principles of thermodynamics; the basics of continuum mechanics; the variational principles for classical models of continuum mechanics, such as elastic and plastic bodies, and ideal and viscous fluids; and direct methods of calculus of variations. (orig.)
Additive manufacturing of patient-specific tubular continuum manipulators
Amanov, Ernar; Nguyen, Thien-Dang; Burgner-Kahrs, Jessica
2015-03-01
Tubular continuum robots, which are composed of multiple concentric, precurved, elastic tubes, provide more dexterity than traditional surgical instruments at the same diameter. The tubes can be precurved such that the resulting manipulator fulfills surgical task requirements. Up to now the only material used for the component tubes of those manipulators is NiTi, a super-elastic shape-memory alloy of nickel and titan. NiTi is a cost-intensive material and fabrication processes are complex, requiring (proprietary) technology, e.g. for shape setting. In this paper, we evaluate component tubes made of 3 different thermoplastic materials (PLA, PCL and nylon) using fused filament fabrication technology (3D printing). This enables quick and cost-effective production of custom, patient-specific continuum manipulators, produced on site on demand. Stress-strain and deformation characteristics are evaluated experimentally for 16 fabricated tubes of each thermoplastic with diameters and shapes equivalent to those of NiTi tubes. Tubes made of PCL and nylon exhibit properties comparable to those made of NiTi. We further demonstrate a tubular continuum manipulator composed of 3 nylon tubes in a transnasal, transsphenoidal skull base surgery scenario in vitro.
YM2: Continuum expectations, lattice convergence, and lassos
International Nuclear Information System (INIS)
Driver, B.K.
1989-01-01
The two dimensional Yang-Mills theory (YM 2 ) is analyzed in both the continuum and the lattice. In the complete axial gauge the continuum theory may be defined in terms of a Lie algebra valued white noise, and parallel translation may be defined by stochastic differential equations. This machinery is used to compute the expectations of gauge invariant functions of the parallel translation operators along a collection of curves C. The expectation values are expressed as finite dimensional integrals with densities that are products of the heat kernel on the structure group. The time parameters of the heat kernels are determined by the areas enclosed by the collection C, and the arguments are determined by the crossing topologies of the curves in C. The expectations for the Wilson lattice models have a similar structure, and from this it follows that in the limit of small lattice spacing the lattice expectations converge to the continuum expectations. It is also shown that the lasso variables advocated by L. Gross exist and are sufficient to generate all the measurable functions on the YM 2 -measure space. (orig.)
Discrete expansions of continuum wave functions
International Nuclear Information System (INIS)
Bang, J.; Ershov, S.N.; Gareev, F.A.; Kazacha, G.S.
1980-01-01
Different methods of expanding continuum wave functions in terms of discrete basis sets are discussed. The convergence properties of these expansions are investigated, both from a mathematical and a numerical point of view, for the case of potentials of Woods-Saxon and square well type. (orig.)
Mesoscopic and continuum modelling of angiogenesis
Spill, F.; Guerrero, P.; Alarcon, T.; Maini, P. K.; Byrne, H. M.
2014-01-01
Angiogenesis is the formation of new blood vessels from pre-existing ones in response to chemical signals secreted by, for example, a wound or a tumour. In this paper, we propose a mesoscopic lattice-based model of angiogenesis, in which processes that include proliferation and cell movement are considered as stochastic events. By studying the dependence of the model on the lattice spacing and the number of cells involved, we are able to derive the deterministic continuum limit of our equations and compare it to similar existing models of angiogenesis. We further identify conditions under which the use of continuum models is justified, and others for which stochastic or discrete effects dominate. We also compare different stochastic models for the movement of endothelial tip cells which have the same macroscopic, deterministic behaviour, but lead to markedly different behaviour in terms of production of new vessel cells. © 2014 Springer-Verlag Berlin Heidelberg.
Mesoscopic and continuum modelling of angiogenesis
Spill, F.
2014-03-11
Angiogenesis is the formation of new blood vessels from pre-existing ones in response to chemical signals secreted by, for example, a wound or a tumour. In this paper, we propose a mesoscopic lattice-based model of angiogenesis, in which processes that include proliferation and cell movement are considered as stochastic events. By studying the dependence of the model on the lattice spacing and the number of cells involved, we are able to derive the deterministic continuum limit of our equations and compare it to similar existing models of angiogenesis. We further identify conditions under which the use of continuum models is justified, and others for which stochastic or discrete effects dominate. We also compare different stochastic models for the movement of endothelial tip cells which have the same macroscopic, deterministic behaviour, but lead to markedly different behaviour in terms of production of new vessel cells. © 2014 Springer-Verlag Berlin Heidelberg.
Continuum deformation of multi-agent systems
Rastgoftar, Hossein
2016-01-01
This monograph presents new algorithms for formation control of multi-agent systems (MAS) based on principles of continuum mechanics. Beginning with an overview of traditional methods, the author then introduces an innovative new approach whereby agents of an MAS are considered as particles in a continuum evolving in ℝn whose desired configuration is required to satisfy an admissible deformation function. The necessary theory and its validation on a mobile-agent-based swarm test bed are considered for two primary tasks: homogeneous transformation of the MAS and deployment of a random distribution of agents on a desired configuration. The framework for this model is based on homogeneous transformations for the evolution of an MAS under no inter-agent communication, local inter-agent communication, and intelligent perception by agents. Different communication protocols for MAS evolution, the robustness of tracking of a desired motion by an MAS evolving in ℝn, and the effect of communication delays in an MAS...
Kinetics of photodissociated oxygen recombination to human oxyhemoglobin
International Nuclear Information System (INIS)
Bokut', S.B.; Syakhovich, V.E.; Parul', D.A.; Lepeshkevich, S.V.; Dzhagarov, B.M.
2001-01-01
Oxygen binding to the tetrameric hemoglobin (Hb) is a basic reaction for study of a cooperativity and allosteric homotropic and heterotropic interactions in proteins. In tetrameric hemoglobin the certain sites in the α 1 β 2 -interface have the precise geometry and chemical reactivity to bind 2,3-diphosphoglycerate, protons, chloride and hence shift the equilibrium away from the oxyconformation, thereby favoring O 2 release. Post-translational modifications of the major hemoglobin fraction Hb A 1 with sugar moiety in the Hb central cavity leads to differences in geometry of the effectors binding region providing a useful experimental tool to study the long range relationship in the tetramer molecule. Here we present the results of the nongeminate biomolecular association of Hb and O 2 obtained by nanosecond laser flash-photolysis. All measurements were carried out in 50 mM potassium-phosphate buffer pH 7.4 with the following samples Hb A 1 , HbA 1c , HbA 1b , and HbA 1 in the presence of the tenfold excess of inositol hexaphosphate (IHP). Our results show that oxygen recombination kinetics are characterized by two processes with different decay times and Hb-form-dependent contributions. This process can be described by the following expression: A(t)=A 1 exp(-t/τ 1 )+A 2 exp(-t/τ 2 ), where A(t) is a normalized number of the deoxy-Hb molecules. The short-live component has a lifetime τ 1 , which is Hb-type dependent and changes in the intervals 30-60 μs, the second component has a lifetime τ 2 around 100 μs, and also is sample-dependent value. A(t=0) is proportional to apparent quantum yields of the photodissociation and determines by geminate stages of oxygen binding to Fe from the protein matrix areas. These results show that post-translational modifications of the major hemoglobin component HbA 1 have influence on hemoglobin transport function via the long range relationship in the tetramer molecule
Continuum multiple-scattering approach to electron-molecule scattering and molecular photoionization
International Nuclear Information System (INIS)
Dehmer, J.L.; Dill, D.
1979-01-01
The multiple-scattering approach to the electronic continuum of molecules is described. The continuum multiple-scattering model (CMSM) was developed as a survey tool and, as such was required to satisfy two requirements. First, it had to have a very broad scope, which means (i) molecules of arbitrary geometry and complexity containing any atom in the periodic system, (ii) continuum electron energies from 0-1000 eV, and (iii) capability to treat a large range of processes involving both photoionization and electron scattering. Second, the structure of the theory was required to lend itself to transparent, physical interpretation of major spectral features such as shape resonances. A comprehensive theoretical framework for the continuum multiple scattering method is presented, as well as its applications to electron-molecule scattering and molecular photoionization. Highlights of recent applications in these two areas are reviewed. The major impact of the resulting studies over the last few years has been to establish the importance of shape resonances in electron collisions and photoionization of practically all (non-hydride) molecules
International Nuclear Information System (INIS)
Thorson, W.R.; Bandarage, G.
1988-01-01
We formulate a close-coupling theory of slow ion-atom collisions based on molecular (adiabatic) electronic states, and including the electronic continuum. The continuum is represented by packet states spanning it locally and constructed explicitly from exact continuum states. Particular attention is given to two fundamental questions: (1) Unbound electrons can escape from the local region spanned by the packet states. We derive close-coupled integral equations correctly including the escape effects; the ''propagator'' generated by these integral equations does not conserve probability within the close-coupled basis. Previous molecular-state formulations including the continuum give no account of escape effects. (2) Nonadiabatic couplings of adiabatic continuum states with the same energy are singular, reflecting the fact that an adiabatic description of continuum behavior is not valid outside a local region. We treat these singularities explicitly and show that an accurate representation of nonadiabatic couplings within the local region spanned by a set of packet states is well behaved. Hence an adiabatic basis-set description can be used to describe close coupling to the continuum in a local ''interaction region,'' provided the effects of escape are included. In principle, the formulation developed here can be extended to a large class of model problems involving many-electron systems and including models for Penning ionization and collisional detachment processes
Realistic Gamow shell model for resonance and continuum in atomic nuclei
Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.
2018-02-01
The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.
Accidental bound states in the continuum in an open Sinai billiard
Energy Technology Data Exchange (ETDEWEB)
Pilipchuk, A.S. [Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk (Russian Federation); Siberian Federal University, 660080 Krasnoyarsk (Russian Federation); Sadreev, A.F., E-mail: almas@tnp.krasn.ru [Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk (Russian Federation)
2017-02-19
The fundamental mechanism of the bound states in the continuum is the full destructive interference of two resonances when two eigenlevels of the closed system are crossing. There is, however, a wide class of quantum chaotic systems which display only avoided crossings of eigenlevels. As an example of such a system we consider the Sinai billiard coupled with two semi-infinite waveguides. We show that notwithstanding the absence of degeneracy bound states in the continuum occur due to accidental decoupling of the eigenstates of the billiard from the waveguides. - Highlights: • Bound states in the continuum in open chaotic billiards occur to accidental vanishing of coupling of eigenstate of billiard with waveguides.
Photofragmentation of water and hydrogen sulphide in the first continuum: A critical survey
International Nuclear Information System (INIS)
Mohamed, K.A.
1987-06-01
Photofragmentation of H 2 O and H 2 S in the first absorption continuum has been investigated experimentally and theoretically by several authors. The fragmentation dynamics of both molecules are reviewed in this article. While the excited 1 B 1 state in H 2 O is responsible for the first continuum, ambiguity exists in the true nature of the upper state of the first continuum in H 2 S. From the evidence available so far, it is proposed that both in water and hydrogen sulphide, a single state of B 1 symmetry, which is of Rydberg type for short internuclear distances and of valence type for large internuclear distances, is the possible upper state which dissociates to produce the absorption continuum. (author). Refs
Cui, Quan; Chen, Zhongyun; Liu, Qian; Zhang, Zhihong; Luo, Qingming; Fu, Ling
2017-09-01
In this study, we demonstrate endogenous fluorescence imaging using visible continuum pulses based on 100-fs Ti:sapphire oscillator and a nonlinear photonic crystal fiber. Broadband (500-700 nm) and high-power (150 mW) continuum pulses are generated through enhanced dispersive wave generation by pumping femtosecond pulses at the anomalous dispersion region near zero-dispersion wavelength of high-nonlinear photonic crystal fibers. We also minimize the continuum pulse width by determining the proper fiber length. The visible-wavelength two-photon microscopy produces NADH and tryptophan images of mice tissues simultaneously. Our 500-700 nm continuum pulses support extending nonlinear microscopy to visible wavelength range that is inaccessible to 100-fs Ti:sapphire oscillators and other applications requiring visible laser pulses.
Fundamentals of continuum mechanics – classical approaches and new trends
Altenbach, H.
2018-04-01
Continuum mechanics is a branch of mechanics that deals with the analysis of the mechanical behavior of materials modeled as a continuous manifold. Continuum mechanics models begin mostly by introducing of three-dimensional Euclidean space. The points within this region are defined as material points with prescribed properties. Each material point is characterized by a position vector which is continuous in time. Thus, the body changes in a way which is realistic, globally invertible at all times and orientation-preserving, so that the body cannot intersect itself and as transformations which produce mirror reflections are not possible in nature. For the mathematical formulation of the model it is also assumed to be twice continuously differentiable, so that differential equations describing the motion may be formulated. Finally, the kinematical relations, the balance equations, the constitutive and evolution equations and the boundary and/or initial conditions should be defined. If the physical fields are non-smooth jump conditions must be taken into account. The basic equations of continuum mechanics are presented following a short introduction. Additionally, some examples of solid deformable continua will be discussed within the presentation. Finally, advanced models of continuum mechanics will be introduced. The paper is dedicated to Alexander Manzhirov’s 60th birthday.
An improved particle population balance equation in the continuum-slip regime
Directory of Open Access Journals (Sweden)
Xie Mingliang
2016-01-01
Full Text Available An improved moment model is proposed to solve the population balance equation for Brownian coagulation in the continuum-slip regime, and it reduces to a known one in open literature when the non-linear terms in the slip correction factor are ignored. The present model shows same asymptotic behavior as that in the continuum regime.
2012-07-31
... which service providers are familiar. The following highlights key definitions used in the Continuum of... Continuum of Care in 1995. Local grantees and stakeholders are familiar with the Continuum of Care as the... violence, dating violence, sexual assault, and stalking. In developing the baseline requirements for a...
Pairing in the BCS and LN approximations using continuum single particle level density
International Nuclear Information System (INIS)
Id Betan, R.M.; Repetto, C.E.
2017-01-01
Understanding the properties of drip line nuclei requires to take into account the correlations with the continuum spectrum of energy of the system. This paper has the purpose to show that the continuum single particle level density is a convenient way to consider the pairing correlation in the continuum. Isospin mean-field and isospin pairing strength are used to find the Bardeen–Cooper–Schrieffer (BCS) and Lipkin–Nogami (LN) approximate solutions of the pairing Hamiltonian. Several physical properties of the whole chain of the Tin isotope, as gap parameter, Fermi level, binding energy, and one- and two-neutron separation energies, were calculated and compared with other methods and with experimental data when they exist. It is shown that the use of the continuum single particle level density is an economical way to include explicitly the correlations with the continuum spectrum of energy in large scale mass calculation. It is also shown that the computed properties are in good agreement with experimental data and with more sophisticated treatment of the pairing interaction.
There is a continuum ambiguity for elastic πN amplitudes
International Nuclear Information System (INIS)
Atkinson, D.; Roo, M. de; Polman, T.J.T.M.
1984-01-01
The implicit-function method of constructing phase-factor continuum ambiguities in phase-shift analysis is briefly reviewed, and new numerical examples are given of ambiguities in πN phase shifts at 1997 MeV. Since the ambiguous amplitudes differ by more than 5%, while the corresponding cross sections and polarizations are equal, to better than a computational accuracy of 0.007%, numerical credence is given to the theoretical claim that the continuum ambiguity exists. (orig.)
A survey of infrared continuum versus line radiation from metal halide lamps
International Nuclear Information System (INIS)
Kato, M; Herd, M T; Lawler, J E
2008-01-01
Near-infrared radiation (near-IR) losses from the arcs of six commercial metal halide high intensity discharge (MH-HID) lamps with various power levels and with both Na/Sc and rare earth doses were surveyed in this paper. A radiometrically calibrated Fourier transform infrared spectrometer was used. Lamps with rare earth doses have appreciably better color rendering indices (CRIs) than lamps with Na/Sc doses. The ratios of near-IR continuum emission over near-IR line emission from these six lamps were compared. The near-IR continuum dominates near-IR losses from lamps with rare earth doses and the continuum is significant, but not dominant, from lamps with Na/Sc doses. There was no strong dependence of this ratio on input power or color temperature (T c ). Total near-IR losses were estimated using absolutely calibrated, horizontal irradiance measurements. Estimated total near-IR losses were correlated with CRI. The lamps with rare earth doses yield the best CRIs, but have appreciably higher near-IR losses due primarily to continuum processes. One of these rare earth MH-HID lamps was used in a more detailed study of the microscopic physics of the continuum mechanism (Herd M T and Lawler E 2007 J. Phys. D: Appl. Phys. 40 3386)
On the Nature of Off-limb Flare Continuum Sources Detected by SDO /HMI
Energy Technology Data Exchange (ETDEWEB)
Heinzel, P.; Kašparová, J. [Astronomical Institute, Czech Academy of Sciences, 25165 Ondřejov (Czech Republic); Kleint, L.; Krucker, S., E-mail: pheinzel@asu.cas.cz [University of Applied Sciences and Arts Northwestern Switzerland, Bahnhofstrasse 6, 5210 Windisch (Switzerland)
2017-09-20
The Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory has provided unique observations of off-limb flare emission. White-light continuum enhancements were detected in the “continuum” channel of the Fe 6173 Å line during the impulsive phase of the observed flares. In this paper we aim to determine which radiation mechanism is responsible for such enhancement being seen above the limb, at chromospheric heights around or below 1000 km. Using a simple analytical approach, we compare two candidate mechanisms, the hydrogen recombination continuum (Paschen) and the Thomson continuum due to scattering of disk radiation on flare electrons. Both mechanisms depend on the electron density, which is typically enhanced during the impulsive phase of a flare as the result of collisional ionization (both thermal and also non-thermal due to electron beams). We conclude that for electron densities higher than 10{sup 12} cm{sup −3}, the Paschen recombination continuum significantly dominates the Thomson scattering continuum and there is some contribution from the hydrogen free–free emission. This is further supported by detailed radiation-hydrodynamical (RHD) simulations of the flare chromosphere heated by the electron beams. We use the RHD code FLARIX to compute the temporal evolution of the flare-heating in a semi-circular loop. The synthesized continuum structure above the limb resembles the off-limb flare structures detected by HMI, namely their height above the limb, as well as the radiation intensity. These results are consistent with recent findings related to hydrogen Balmer continuum enhancements, which were clearly detected in disk flares by the IRIS near-ultraviolet spectrometer.
Introduction to continuum mechanics
Rubin, David; Lai, W Michael
1994-01-01
Continuum mechanics studies the response of materials to different loading conditions. The concept of tensors is introduced through the idea of linear transformation in a self-contained chapter, and the interrelation of direct notation, indicial notation and matrix operations is clearly presented. A wide range of idealized materials are considered through simple static and dynamic problems, and the book contains an abundance of illustrative examples and problems, many with solutions. Through the addition of more advanced material (solution of classical elasticity problems, constitutive e
Atom-to-continuum methods for gaining a fundamental understanding of fracture.
Energy Technology Data Exchange (ETDEWEB)
McDowell, David Lynn (Georgia Institute of Technology, Atlanta, GA); Reedy, Earl David, Jr.; Templeton, Jeremy Alan; Jones, Reese E.; Moody, Neville Reid; Zimmerman, Jonathan A.; Belytschko, Ted. (Northwestern University, Evanston, IL); Zhou, Xiao Wang; Lloyd, Jeffrey T. (Georgia Institute of Technology, Atlanta, GA); Oswald, Jay (Northwestern University, Evanston, IL); Delph, Terry J. (Lehigh University, Bethlehem, PA); Kimmer, Christopher J. (Indiana University Southeast, New Albany, IN)
2011-08-01
This report describes an Engineering Sciences Research Foundation (ESRF) project to characterize and understand fracture processes via molecular dynamics modeling and atom-to-continuum methods. Under this aegis we developed new theory and a number of novel techniques to describe the fracture process at the atomic scale. These developments ranged from a material-frame connection between molecular dynamics and continuum mechanics to an atomic level J integral. Each of the developments build upon each other and culminated in a cohesive zone model derived from atomic information and verified at the continuum scale. This report describes an Engineering Sciences Research Foundation (ESRF) project to characterize and understand fracture processes via molecular dynamics modeling and atom-to-continuum methods. The effort is predicated on the idea that processes and information at the atomic level are missing in engineering scale simulations of fracture, and, moreover, are necessary for these simulations to be predictive. In this project we developed considerable new theory and a number of novel techniques in order to describe the fracture process at the atomic scale. Chapter 2 gives a detailed account of the material-frame connection between molecular dynamics and continuum mechanics we constructed in order to best use atomic information from solid systems. With this framework, in Chapter 3, we were able to make a direct and elegant extension of the classical J down to simulations on the scale of nanometers with a discrete atomic lattice. The technique was applied to cracks and dislocations with equal success and displayed high fidelity with expectations from continuum theory. Then, as a prelude to extension of the atomic J to finite temperatures, we explored the quasi-harmonic models as efficient and accurate surrogates of atomic lattices undergoing thermo-elastic processes (Chapter 4). With this in hand, in Chapter 5 we provide evidence that, by using the appropriate
Electronically excited C 2 from laser photodissociated C 60
Arepalli, S.; Scott, C. D.; Nikolaev, P.; Smalley, R. E.
2000-03-01
Spectral and transient emission measurements are made of radiation from products of laser excitation of buckminsterfullerene (C 60) vapor diluted in argon at 973 K. The principal radiation is from the Swan band system of C 2 and, at early times, also from a black-body continuum. Transient measurements indicate two characteristic periods of decay 2 and 50 μs long, with characteristic decay times of ˜0.3 and 5 μs, respectively. The first period is thought to be associated with decomposition and radiative cooling of C 60 molecules or nano-sized carbon particles and the second period continues with decomposition products of laser excited C 60, C 58, C 56, etc.
Simulation of Enlisted Sailor Assignment Process to Explore the Cost of Non-Monetary Incentives
2010-03-01
Herzbergs Two - factor Theory (Exams_tutor_business) ....................... 6... two - factor theory , also known as Herzberg’s motivation-hygiene theory . (Exams_tutor_business) Herzberg categorized work related factors into two ...from Motivation - 4. Herzbergs Two Factor Theory : http://www.examstutor.com/business/resources/studyroom/people_and_or
Equations of motion for anisotropic nonlinear elastic continuum in gravitational field
International Nuclear Information System (INIS)
Sokolov, S.N.
1994-01-01
Equations of motion for anisotropic nonlinear elastic continuum in the gravitational field are written in the form convenient for numerical calculations. The energy-stress tensor is expressed through scalar and tensor products of three vectors frozen in the continuum. Examples of expansion of the energy-stress tensor into scalar and tensor invariants corresponding to some crystal classes are given. 47 refs
Continuum effects in the scattering of exotic nuclei
Energy Technology Data Exchange (ETDEWEB)
Druet, T. [Universite Libre de Bruxelles (ULB), Physique Quantique, C.P. 165/82, Brussels (Belgium); Universite Libre de Bruxelles (ULB), Physique Nucleaire Theorique et Physique Mathematique, Brussels (Belgium); Descouvemont, P. [Universite Libre de Bruxelles (ULB), Physique Nucleaire Theorique et Physique Mathematique, Brussels (Belgium)
2012-10-15
We discuss continuum effects in the scattering of exotic nuclei, and more specifically on the {sup 11}Be + {sup 64}Zn scattering. {sup 11}Be is a typical example of an exotic nucleus, with a low binding energy. Elastic, inelastic and breakup cross-sections of the {sup 11}Be + {sup 64}Zn system are computed in the Continuum Discretized Coupled Channel formalism, at energies near the Coulomb barrier. We show that converged cross-sections need high angular momenta as well as as large excitation energies in the wave functions of the projectile. Extensions to other systems are simulated by different collision energies, and by varying the binding energy of {sup 11}Be. (orig.)
Identifying health disparities across the tobacco continuum.
Fagan, Pebbles; Moolchan, Eric T; Lawrence, Deirdre; Fernander, Anita; Ponder, Paris K
2007-10-01
Few frameworks have addressed work-force diversity, inequities and inequalities as part of a comprehensive approach to eliminating tobacco-related health disparities. This paper summarizes the literature and describes the known disparities that exist along the tobacco disease continuum for minority racial and ethnic groups, those living in poverty, those with low education and blue-collar and service workers. The paper also discusses how work-force diversity, inequities in research practice and knowledge allocation and inequalities in access to and quality of health care are fundamental to addressing disparities in health. We examined the available scientific literature and existing public health reports to identify disparities across the tobacco disease continuum by minority racial/ethnic group, poverty status, education level and occupation. Results indicate that differences in risk indicators along the tobacco disease continuum do not explain fully tobacco-related cancer consequences among some minority racial/ethnic groups, particularly among the aggregate groups, blacks/African Americans and American Indians/Alaska Natives. The lack of within-race/ethnic group data and its interactions with socio-economic factors across the life-span contribute to the inconsistency we observe in the disease causal paradigm. More comprehensive models are needed to understand the relationships among disparities, social context, diversity, inequalities and inequities. A systematic approach will also help researchers, practitioners, advocates and policy makers determine critical points for interventions, the types of studies and programs needed and integrative approaches needed to eliminate tobacco-related disparities.
Multiscale volatility duration characteristics on financial multi-continuum percolation dynamics
Wang, Min; Wang, Jun
A random stock price model based on the multi-continuum percolation system is developed to investigate the nonlinear dynamics of stock price volatility duration, in an attempt to explain various statistical facts found in financial data, and have a deeper understanding of mechanisms in the financial market. The continuum percolation system is usually referred to be a random coverage process or a Boolean model, it is a member of a class of statistical physics systems. In this paper, the multi-continuum percolation (with different values of radius) is employed to model and reproduce the dispersal of information among the investors. To testify the rationality of the proposed model, the nonlinear analyses of return volatility duration series are preformed by multifractal detrending moving average analysis and Zipf analysis. The comparison empirical results indicate the similar nonlinear behaviors for the proposed model and the actual Chinese stock market.
Nonlinear continuum mechanics and large inelastic deformations
Dimitrienko, Yuriy I
2010-01-01
This book provides a rigorous axiomatic approach to continuum mechanics under large deformation. In addition to the classical nonlinear continuum mechanics - kinematics, fundamental laws, the theory of functions having jump discontinuities across singular surfaces, etc. - the book presents the theory of co-rotational derivatives, dynamic deformation compatibility equations, and the principles of material indifference and symmetry, all in systematized form. The focus of the book is a new approach to the formulation of the constitutive equations for elastic and inelastic continua under large deformation. This new approach is based on using energetic and quasi-energetic couples of stress and deformation tensors. This approach leads to a unified treatment of large, anisotropic elastic, viscoelastic, and plastic deformations. The author analyses classical problems, including some involving nonlinear wave propagation, using different models for continua under large deformation, and shows how different models lead t...
A continuum model for flow induced by metachronal coordination between beating cilia
Hussong, J.; Breugem, W.P.; Westerweel, J.
2011-01-01
In this numerical study we investigate the flow induced by metachronal coordination between beating cilia arranged in a densely packed layer by means of a continuum model. The continuum approach allows us to treat the problem as two-dimensional as well as stationary, in a reference frame moving with
Continuum emission of excited sodium dimer
International Nuclear Information System (INIS)
Pardo, A.; Poyato, J.M.L.; Alonso, J.I.; Rico, F.R.
1980-01-01
A study has been made of the behaviour of excited molecular sodium using high-power Ar + laser radiation. A continuum emission was observed in the red wavelength region. This emission was thought to be caused by the formation of excited triatomic molecules. Energy transfer was observed from excited molecules to atoms. (orig.)
Reproducing the nonlinear dynamic behavior of a structured beam with a generalized continuum model
Vila, J.; Fernández-Sáez, J.; Zaera, R.
2018-04-01
In this paper we study the coupled axial-transverse nonlinear vibrations of a kind of one dimensional structured solids by application of the so called Inertia Gradient Nonlinear continuum model. To show the accuracy of this axiomatic model, previously proposed by the authors, its predictions are compared with numeric results from a previously defined finite discrete chain of lumped masses and springs, for several number of particles. A continualization of the discrete model equations based on Taylor series allowed us to set equivalent values of the mechanical properties in both discrete and axiomatic continuum models. Contrary to the classical continuum model, the inertia gradient nonlinear continuum model used herein is able to capture scale effects, which arise for modes in which the wavelength is comparable to the characteristic distance of the structured solid. The main conclusion of the work is that the proposed generalized continuum model captures the scale effects in both linear and nonlinear regimes, reproducing the behavior of the 1D nonlinear discrete model adequately.
Continuum-regularized quantum gravity
International Nuclear Information System (INIS)
Chan Huesum; Halpern, M.B.
1987-01-01
The recent continuum regularization of d-dimensional Euclidean gravity is generalized to arbitrary power-law measure and studied in some detail as a representative example of coordinate-invariant regularization. The weak-coupling expansion of the theory illustrates a generic geometrization of regularized Schwinger-Dyson rules, generalizing previous rules in flat space and flat superspace. The rules are applied in a non-trivial explicit check of Einstein invariance at one loop: the cosmological counterterm is computed and its contribution is included in a verification that the graviton mass is zero. (orig.)
Photodissociation of the acetone cation at 355 nm using the velocity imaging technique
Jackson, William M.; Xu, Dadong
2000-09-01
Photodissociation of acetone cations, CH3COCH3+, at 355 nm has been studied by means of the ion velocity imaging technique. Acetone cations are produced via direct photoionization of a supersonic beam of acetone at 118 nm generated by frequency tripling the 355 nm laser. Only the acetyl cation, CH3CO+, could be detected as a dissociation product in the time-of-flight mass spectrometer. The acetyl ion signal depends upon the fifth power of the 355 nm laser energy, while the acetone ion signal depends upon the third power. This suggests that the fragment ion is produced via two-photon absorption of 355 nm photons by the acetone cation. The total translational energy distribution and angular distribution of acetyl cation were derived from the 2D images of CH3CO+ for the reaction CH3COCH3++2hν355nm→CH3CO++CH3*. The translational energy distribution suggests that methyl radicals are produced in two electronically excited states, the Rydberg 3s 1 2A1' and the valence 1 2A″ states. The anisotropy parameter β shows that the Rydberg state is formed via a perpendicular excitation and the valence state via a parallel transition.
Energy Technology Data Exchange (ETDEWEB)
Hoogenboom, J.E. (Technische Hogeschool Delft (Netherlands))
1983-01-01
From the collision mechanics of inelastic discrete-level scattering several properties are derived for the secondary-neutron energy distribution (SNED) for inelastic continuum scattering, when conceived as scattering with continuously-distributed inelastic levels. Using assumptions about the level density and neutron cross section the SNED can be calculated and some examples are shown. A formula is derived to calculate from a given inelastic continuum SNED a function, which is proportional to the level density and the neutron cross section. From this relation further conditions follow for the SNED. Representations for the inelastic continuum SNED currently in use do not, in general, satisfy most of the derived conditions.
International Nuclear Information System (INIS)
Hoogenboom, J.E.
1983-01-01
From the collision mechanics of inelastic discrete-level scattering several properties are derived for the secondary-neutron energy distribution (SNED) for inelastic continuum scattering, when conceived as scattering with continuously-distributed inelastic levels. Using assumptions about the level density and neutron cross section the SNED can be calculated and some examples are shown. A formula is derived to calculate from a given inelastic continuum SNED a function, which is proportional to the level density and the neutron cross section. From this relation further conditions follow for the SNED. Representations for the inelastic continuum SNED currently in use do not, in general, satisfy most of the derived conditions. (author)
A Coupling Tool for Parallel Molecular Dynamics-Continuum Simulations
Neumann, Philipp
2012-06-01
We present a tool for coupling Molecular Dynamics and continuum solvers. It is written in C++ and is meant to support the developers of hybrid molecular - continuum simulations in terms of both realisation of the respective coupling algorithm as well as parallel execution of the hybrid simulation. We describe the implementational concept of the tool and its parallel extensions. We particularly focus on the parallel execution of particle insertions into dense molecular systems and propose a respective parallel algorithm. Our implementations are validated for serial and parallel setups in two and three dimensions. © 2012 IEEE.
International Nuclear Information System (INIS)
Stora, R.
1976-09-01
The mathematics of gauge fields and some related concepts are discussed: some corrections on the principal fiber bundles emphasize the idea that the present formulation of continuum theories is incomplete. The main ingredients used through the construction of the renormalized perturbation series are then described: the Faddeev Popov argument, and the Faddeev Popov Lagrangian; the Slavnov symmetry and the nature of the Faddeev Popov ghost fields; the Slavnov identity, with an obstruction: the Adler Bardeen anomaly, and its generalization to the local cohomology of the gauge Lie algebra. Some smooth classical configurations of gauge fields which ought to play a prominent role in the evaluation of the functional integral describing the theory are also reviewed
A Cyclical Approach to Continuum Modeling: A Conceptual Model of Diabetic Foot Care
Directory of Open Access Journals (Sweden)
Martha L. Carvour
2017-12-01
Full Text Available “Cascade” or “continuum” models have been developed for a number of diseases and conditions. These models define the desired, successive steps in care for that disease or condition and depict the proportion of the population that has completed each step. These models may be used to compare care across subgroups or populations and to identify and evaluate interventions intended to improve outcomes on the population level. Previous cascade or continuum models have been limited by several factors. These models are best suited to processes with stepwise outcomes—such as screening, diagnosis, and treatment—with a single defined outcome (e.g., treatment or cure for each member of the population. However, continuum modeling is not well developed for complex processes with non-sequential or recurring steps or those without singular outcomes. As shown here using the example of diabetic foot care, the concept of continuum modeling may be re-envisioned with a cyclical approach. Cyclical continuum modeling may permit incorporation of non-sequential and recurring steps into a single continuum, while recognizing the presence of multiple desirable outcomes within the population. Cyclical models may simultaneously represent the distribution of clinical severity and clinical resource use across a population, thereby extending the benefits of traditional continuum models to complex processes for which population-based monitoring is desired. The models may also support communication with other stakeholders in the process of care, including health care providers and patients.
Continuum absorption in the vicinity of the toroidicity-induced Alfvén gap
International Nuclear Information System (INIS)
Li, M.; Breizman, B. N.; Zheng, L. J.; Chen, Eugene Y.
2015-01-01
Excitation of Alfvén modes is commonly viewed as a concern for energetic particle confinement in burning plasmas. The 3.5 MeV alpha particles produced by fusion may be affected as well as other fast ions in both present and future devices. Continuum damping of such modes is one of the key factors that determine their excitation thresholds and saturation levels. This work examines the resonant dissipative response of the Alfvén continuum to an oscillating driving current when the driving frequency is slightly outside the edges of the toroidicity-induced spectral gap. The problem is largely motivated by the need to describe the continuum absorption in the frequency sweeping events. Akey element of this problem is the negative interference of the two closely spaced continuum crossing points.Weexplain why the lower and upper edges of the gap can have very different continuum absorption features. Lastly, the difference is associated with an eigenmode whose frequency can be arbitrarily close to the upper edge of the gap whereas the lower edge of the gap is always a finite distance away from the closest eigenmode
Identification of a transcriptional signature for the wound healing continuum
Peake, Matthew A; Caley, Mathew; Giles, Peter J; Wall, Ivan; Enoch, Stuart; Davies, Lindsay C; Kipling, David; Thomas, David W; Stephens, Phil
2014-01-01
There is a spectrum/continuum of adult human wound healing outcomes ranging from the enhanced (nearly scarless) healing observed in oral mucosa to scarring within skin and the nonhealing of chronic skin wounds. Central to these outcomes is the role of the fibroblast. Global gene expression profiling utilizing microarrays is starting to give insight into the role of such cells during the healing process, but no studies to date have produced a gene signature for this wound healing continuum. Mi...
Hertel, Peter
2012-01-01
This small book on the properties of continuously distributed matter covers a huge field. It sets out the governing principles of continuum physics and illustrates them by carefully chosen examples. These examples comprise structural mechanics and elasticity, fluid media, electricity and optics, thermoelectricity, fluctuation phenomena and more, from Archimedes' principle via Brownian motion to white dwarfs. Metamaterials, pattern formation by reaction-diffusion and surface plasmon polaritons are dealt with as well as classical topics such as Stokes' formula, beam bending and buckling, crystal optics and electro- and magnetooptic effects, dielectric waveguides, Ohm's law, surface acoustic waves, to mention just some. The set of balance equations for content, flow and production of particles, mass, charge, momentum, energy and entropy is augmented by material, or constitutive equations. They describe entire classes of materials, such as viscid fluids and gases, elastic media, dielectrics or electrical con...
Sexual Orientation: Categories or Continuum? Commentary on Bailey et al. (2016).
Savin-Williams, Ritch C
2016-09-01
Bailey et al. (2016) have provided an excellent, state-of-the-art overview that is a major contribution to our understanding of sexual orientation. However, whereas Bailey and his coauthors have examined the physiological, behavioral, and self-report data of sexual orientation and see categories, I see a sexual and romantic continuum. After noting several objections concerning the limitations of the review and methodological shortcomings characteristic of sexual-orientation research in general, I present evidence from research investigating in-between sexualities to support an alternative, continuum-based perspective regarding the nature of sexual orientation for both women and men. A continuum conceptualization has potential implications for investigating the prevalence of nonheterosexuals, sexual-orientation differences in gender nonconformity, causes of sexual orientation, and political issues. © The Author(s) 2016.
Transport of optical excitations on dendrimers in the continuum approximation
International Nuclear Information System (INIS)
Vlaming, S.M.; Heijs, D.J.; Knoester, J.
2005-01-01
We study the incoherent transport of optical excitations created at the rim of a dendritic molecule to a trap occurring at the core. The corresponding discrete random walk is treated in a continuum approximation, resulting in a diffusion-like process which admits semi-analytical solutions. The thus obtained arrival time distribution for the excitation at the trap is compared with the one for the original, discrete problem. In the case of an inward bias or even a weak outward one, the agreement is very good and the continuum approximation provides a good alternative description of the energy transfer process, even for small dendrimers. In the case of a strong outward bias, the mean trapping time, which sets the time scale for the entire distribution, depends exponentially on the number of generations in both approaches, but with a different base. The failure of the continuum approximation for this case is explained from the peaked behavior of the excitation density near the rim
Continuum description for jointed media
International Nuclear Information System (INIS)
Thomas, R.K.
1982-04-01
A general three-dimensional continuum description is presented for a material containing regularly spaced and approximately parallel jointing planes within a representative elementary volume. Constitutive relationships are introduced for linear behavior of the base material and nonlinear normal and shear behavior across jointing planes. Furthermore, a fracture permeability tensor is calculated so that deformation induced alterations to the in-situ values can be measured. Examples for several strain-controlled loading paths are presented
Adaptive spacetime method using Riemann jump conditions for coupled atomistic-continuum dynamics
International Nuclear Information System (INIS)
Kraczek, B.; Miller, S.T.; Haber, R.B.; Johnson, D.D.
2010-01-01
We combine the Spacetime Discontinuous Galerkin (SDG) method for elastodynamics with the mathematically consistent Atomistic Discontinuous Galerkin (ADG) method in a new scheme that concurrently couples continuum and atomistic models of dynamic response in solids. The formulation couples non-overlapping continuum and atomistic models across sharp interfaces by weakly enforcing jump conditions, for both momentum balance and kinematic compatibility, using Riemann values to preserve the characteristic structure of the underlying hyperbolic system. Momentum balances to within machine-precision accuracy over every element, on each atom, and over the coupled system, with small, controllable energy dissipation in the continuum region that ensures numerical stability. When implemented on suitable unstructured spacetime grids, the continuum SDG model offers linear computational complexity in the number of elements and powerful adaptive analysis capabilities that readily bridge between atomic and continuum scales in both space and time. A special trace operator for the atomic velocities and an associated atomistic traction field enter the jump conditions at the coupling interface. The trace operator depends on parameters that specify, at the scale of the atomic spacing, the position of the coupling interface relative to the atoms. In a key finding, we demonstrate that optimizing these parameters suppresses spurious reflections at the coupling interface without the use of non-physical damping or special boundary conditions. We formulate the implicit SDG-ADG coupling scheme in up to three spatial dimensions, and describe an efficient iterative solution scheme that outperforms common explicit schemes, such as the Velocity Verlet integrator. Numerical examples, in 1dxtime and employing both linear and nonlinear potentials, demonstrate the performance of the SDG-ADG method and show how adaptive spacetime meshing reconciles disparate time steps and resolves atomic-scale signals in
Evidence for concerted ring opening and C-Br bond breaking in UV-excited bromocyclopropane.
Pandit, Shubhrangshu; Preston, Thomas J; King, Simon J; Vallance, Claire; Orr-Ewing, Andrew J
2016-06-28
Photodissociation of gaseous bromocyclopropane via its A-band continuum has been studied at excitation wavelengths ranging from 230 nm to 267 nm. Velocity-map images of ground-state bromine atoms (Br), spin-orbit excited bromine atoms (Br(∗)), and C3H5 hydrocarbon radicals reveal the kinetic energies of these various photofragments. Both Br and Br(∗) atoms are predominantly generated via repulsive excited electronic states in a prompt photodissociation process in which the hydrocarbon co-fragment is a cyclopropyl radical. However, the images obtained at the mass of the hydrocarbon radical fragment identify a channel with total kinetic energy greater than that deduced from the Br and Br(∗) images, and with a kinetic energy distribution that exceeds the energetic limit for Br + cyclopropyl radical products. The velocity-map images of these C3H5 fragments have lower angular anisotropies than measured for Br and Br(∗), indicating molecular restructuring during dissociation. The high kinetic energy C3H5 signals are assigned to allyl radicals generated by a minor photochemical pathway which involves concerted C-Br bond dissociation and cyclopropyl ring-opening following single ultraviolet (UV)-photon absorption. Slow photofragments also contribute to the velocity map images obtained at the C3H5 radical mass, but the corresponding slow Br atoms are not observed. These features in the images are attributed to C3H5 (+) from the photodissociation of the C3H5Br(+) molecular cation following two-photon ionization of the parent compound. This assignment is confirmed by 118-nm vacuum ultraviolet ionization studies that prepare the molecular cation in its ground electronic state prior to UV photodissociation.
On the continuum limit of curvature squared actions in the Regge calculus
International Nuclear Information System (INIS)
Eliezer, D.
1989-01-01
We evaluate the continuum limit of a family of curvature squared actions for the Regge calculus proposed by Hamber and Williams. The answers depend on how the continuum limit is defined. When the link lengths are defined as the distance in an embedding space between the endpoints of the link, we find that no member of this family approaches the continuum limit correctly. Defining the link lengths as the length of a geodesic between the endpoints of the link, we find that a unique member is selected, and we prove for the general two dimensional compact manifold that this Regge calculus action converges to ∫R 2 √d d 2 x. (orig.)
Qi, Fei; Ju, Feng; Bai, Dong Ming; Chen, Bai
2018-02-01
For the outstanding compliance and dexterity of continuum robot, it is increasingly used in minimally invasive surgery. The wide workspace, high dexterity and strong payload capacity are essential to the continuum robot. In this article, we investigate the workspace of a cable-driven continuum robot that we proposed. The influence of section number on the workspace is discussed when robot is operated in narrow environment. Meanwhile, the structural parameters of this continuum robot are optimized to achieve better kinematic performance. Moreover, an indicator based on the dexterous solid angle for evaluating the dexterity of robot is introduced and the distal end dexterity is compared for the three-section continuum robot with different range of variables. Results imply that the wider range of variables achieve the better dexterity. Finally, the static model of robot based on the principle of virtual work is derived to analyze the relationship between the bending shape deformation and the driven force. The simulations and experiments for plane and spatial motions are conducted to validate the feasibility of model, respectively. Results of this article can contribute to the real-time control and movement and can be a design reference for cable-driven continuum robot.
Continuum approximation of the Fermi-Pasta-Ulam lattice
International Nuclear Information System (INIS)
Martina, L.
1979-01-01
A continuum approximation method is applied in order to discuss the connection between some properties of the infinite Fermi-Pasta-Ulam lattice and the ones displayed by the Korteweg-de Vries equation
Hannan, Michael W.; Walker, Ian D.
2003-01-01
Traditionally, robot manipulators have been a simple arrangement of a small number of serially connected links and actuated joints. Though these manipulators prove to be very effective for many tasks, they are not without their limitations, due mainly to their lack of maneuverability or total degrees of freedom. Continuum style (i.e., continuous "back-bone") robots, on the other hand, exhibit a wide range of maneuverability, and can have a large number of degrees of freedom. The motion of continuum style robots is generated through the bending of the robot over a given section; unlike traditional robots where the motion occurs in discrete locations, i.e., joints. The motion of continuum manipulators is often compared to that of biological manipulators such as trunks and tentacles. These continuum style robots can achieve motions that could only be obtainable by a conventionally designed robot with many more degrees of freedom. In this paper we present a detailed formulation and explanation of a novel kinematic model for continuum style robots. The design, construction, and implementation of our continuum style robot called the elephant trunk manipulator is presented. Experimental results are then provided to verify the legitimacy of our model when applied to our physical manipulator. We also provide a set of obstacle avoidance experiments that help to exhibit the practical implementation of both our manipulator and our kinematic model. c2003 Wiley Periodicals, Inc.
Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm
International Nuclear Information System (INIS)
Blank, D.A.; North, S.W.; Stranges, D.
1997-01-01
When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH 3 SOCH 3 ) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH 3 intermediate prior to dissociation to define a stepwise dissociation: (1) CH 3 SOCH 3 → 2CH 3 + SO; (2a) CH 3 SOCH 3 → CH 3 + SOCH 3 ; and (2b) SOCH 3 → SO + CH 3 . Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH 3 and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH 3 intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2
Directory of Open Access Journals (Sweden)
Qian Wang
2017-01-01
Full Text Available Different configurations of coupling strategies influence greatly the accuracy and convergence of the simulation results in the hybrid atomistic-continuum method. This study aims to quantitatively investigate this effect and offer the guidance on how to choose the proper configuration of coupling strategies in the hybrid atomistic-continuum method. We first propose a hybrid molecular dynamics- (MD- continuum solver in LAMMPS and OpenFOAM that exchanges state variables between the atomistic region and the continuum region and evaluate different configurations of coupling strategies using the sudden start Couette flow, aiming to find the preferable configuration that delivers better accuracy and efficiency. The major findings are as follows: (1 the C→A region plays the most important role in the overlap region and the “4-layer-1” combination achieves the best precision with a fixed width of the overlap region; (2 the data exchanging operation only needs a few sampling points closer to the occasions of interactions and decreasing the coupling exchange operations can reduce the computational load with acceptable errors; (3 the nonperiodic boundary force model with a smoothing parameter of 0.1 and a finer parameter of 20 can not only achieve the minimum disturbance near the MD-continuum interface but also keep the simulation precision.
A morphing strategy to couple non-local to local continuum mechanics
Lubineau, Gilles
2012-06-01
A method for coupling non-local continuum models with long-range central forces to local continuum models is proposed. First, a single unified model that encompasses both local and non-local continuum representations is introduced. This model can be purely non-local, purely local or a hybrid depending on the constitutive parameters. Then, the coupling between the non-local and local descriptions is performed through a transition (morphing) affecting only the constitutive parameters. An important feature is the definition of the morphing functions, which relies on energy equivalence. This approach is useful in large-scale modeling of materials that exhibit strong non-local effects. The computational cost can be reduced while maintaining a reasonable level of accuracy. Efficiency, robustness and basic properties of the approach are discussed using one- and two-dimensional examples. © 2012 Elsevier Ltd.
A morphing strategy to couple non-local to local continuum mechanics
Lubineau, Gilles; Azdoud, Yan; Han, Fei; Rey, Christian C.; Askari, Abe H.
2012-01-01
A method for coupling non-local continuum models with long-range central forces to local continuum models is proposed. First, a single unified model that encompasses both local and non-local continuum representations is introduced. This model can be purely non-local, purely local or a hybrid depending on the constitutive parameters. Then, the coupling between the non-local and local descriptions is performed through a transition (morphing) affecting only the constitutive parameters. An important feature is the definition of the morphing functions, which relies on energy equivalence. This approach is useful in large-scale modeling of materials that exhibit strong non-local effects. The computational cost can be reduced while maintaining a reasonable level of accuracy. Efficiency, robustness and basic properties of the approach are discussed using one- and two-dimensional examples. © 2012 Elsevier Ltd.
Continuum Navier-Stokes modelling of water ow past fullerene molecules
DEFF Research Database (Denmark)
Walther, J. H.; Popadic, A.; Koumoutsakos, P.
We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...
Continuum Navier-Stokes modelling of water flow past fullerene molecules
DEFF Research Database (Denmark)
Walther, J. H.; Popadic, A.; Koumoutsakos, P.
We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...
The continuum of spreading depolarizations in acute cortical lesion development
DEFF Research Database (Denmark)
Hartings, Jed A; Shuttleworth, C William; Kirov, Sergei A
2017-01-01
A modern understanding of how cerebral cortical lesions develop after acute brain injury is based on Aristides Leão's historic discoveries of spreading depression and asphyxial/anoxic depolarization. Treated as separate entities for decades, we now appreciate that these events define a continuum....... The causal role of these waves in lesion development has been proven by real-time monitoring of electrophysiology, blood flow, and cytotoxic edema. The spreading depolarization continuum further applies to other models of acute cortical lesions, suggesting that it is a universal principle of cortical lesion...
Double-continuum wave functions and double-photoionization cross sections of two-electron systems
International Nuclear Information System (INIS)
Tiwary, S.N.
1996-09-01
The present review briefly presents the growing experimental as well as theoretical interests in recent years in the double-continuum wave functions and double-photoionization cross sections of two-electron systems. The validity of existing double-continuum wave functions is analyzed and the importance of electronic correlations in both the initial as well as final states wave functions involved in the transition amplitude for double-photoionization process is demonstrated. At present, we do not have comprehensive and practical double-continuum wave functions which account the full correlation of two-electron in the continuum. Basic difficulties in making accurate theoretical calculations of double ionization by a single high energy photon especially in the vicinity of the threshold, where the correlation plays an important role, are discussed. Illuminating, illustrative and representative examples are presented in order to show the present status and the progress in this field. Future challenges and directions, in high-precision double-photoionization cross sections calculations, have been discussed and suggested. (author). 133 refs, 9 figs
Three-body continuum states on a Lagrange mesh
International Nuclear Information System (INIS)
Descouvemont, P.; Tursunov, E.; Baye, D.
2006-01-01
Three-body continuum states are investigated with the hyperspherical method on a Lagrange mesh. The R-matrix theory is used to treat the asymptotic behaviour of scattering wave functions. The formalism is developed for neutral as well as for charged systems. We point out some specificities of continuum states in the hyperspherical method. The collision matrix can be determined with a good accuracy by using propagation techniques. The method is applied to the 6 He (=α+n+n) and 6 Be (=α+p+p) systems, as well as to 14 Be (=Be12+n+n). For 6 He, we essentially recover results of the literature. Application to 14 Be suggests the existence of an excited 2 + state below threshold. The calculated B(E2) value should make this state observable with Coulomb excitation experiments
PCE: web tools to compute protein continuum electrostatics
Miteva, Maria A.; Tufféry, Pierre; Villoutreix, Bruno O.
2005-01-01
PCE (protein continuum electrostatics) is an online service for protein electrostatic computations presently based on the MEAD (macroscopic electrostatics with atomic detail) package initially developed by D. Bashford [(2004) Front Biosci., 9, 1082–1099]. This computer method uses a macroscopic electrostatic model for the calculation of protein electrostatic properties, such as pKa values of titratable groups and electrostatic potentials. The MEAD package generates electrostatic energies via finite difference solution to the Poisson–Boltzmann equation. Users submit a PDB file and PCE returns potentials and pKa values as well as color (static or animated) figures displaying electrostatic potentials mapped on the molecular surface. This service is intended to facilitate electrostatics analyses of proteins and thereby broaden the accessibility to continuum electrostatics to the biological community. PCE can be accessed at . PMID:15980492
Impact of line parameter database and continuum absorption on GOSAT TIR methane retrieval
Yamada, A.; Saitoh, N.; Nonogaki, R.; Imasu, R.; Shiomi, K.; Kuze, A.
2017-12-01
The current methane retrieval algorithm (V1) at wavenumber range from 1210 cm-1 to 1360 cm-1 including CH4 ν 4 band from the thermal infrared (TIR) band of Thermal and Near-infrared Sensor for Carbon Observation Fourier Transform Spectrometer (TANSO-FTS) onboard Greenhouse Gases Observing Satellite (GOSAT) uses LBLRTM V12.1 with AER V3.1 line database and MT CKD 2.5.2 continuum absorption model to calculate optical depth. Since line parameter databases have been updated and the continuum absorption may have large uncertainty, the purpose of this study is to assess the impact on {CH}4 retrieval from the choice of line parameter databases and the uncertainty of continuum absorption. We retrieved {CH}4 profiles with replacement of line parameter database from AER V3.1 to AER v1.0, HITRAN 2004, HITRAN 2008, AER V3.2, or HITRAN 2012 (Rothman et al. 2005, 2009, and 2013. Clough et al., 2005), we assumed 10% larger continuum absorption coefficients and 50% larger temperature dependent coefficient of continuum absorption based on the report by Paynter and Ramaswamy (2014). We compared the retrieved CH4 with the HIPPO CH4 observation (Wofsy et al., 2012). The difference from HIPPO observation of AER V3.2 was the smallest and 24.1 ± 45.9 ppbv. The differences of AER V1.0, HITRAN 2004, HITRAN 2008, and HITRAN 2012 were 35.6 ± 46.5 ppbv, 37.6 ± 46.3 ppbv, 32.1 ± 46.1 ppbv, and 35.2 ± 46.0 ppbv, respectively. Maximum {CH}4 retrieval differences were -0.4 ppbv at the layer of 314 hPa when we used 10% larger absorption coefficients of {H}2O foreign continuum. Comparing AER V3.2 case to HITRAN 2008 case, the line coupling effect reduced difference by 8.0 ppbv. Line coupling effects were important for GOSAT TIR {CH}4 retrieval. Effects from the uncertainty of continuum absorption were negligible small for GOSAT TIR CH4 retrieval.
Quasi continuum vibrational of molecules and isotopic selectivity properties induced by collisions
International Nuclear Information System (INIS)
Angelie, Christian
1990-01-01
This research thesis proposes an overview of knowledge on vibrationally highly excited states of molecules. The author shows that the statistic quasi-continuum formed by these states is preceded by a quasi continuum of weak transitions with a lower energy, and that these transitions remain structured and very narrow up to the dissociation energy and beyond. Collisions between molecules excited in their quasi continuum are then studied. The author particularly analyses a new phenomenon of isotopic selectivity which is important for the dissociation of a molecule colliding another molecule. It appears that this selectivity regarding selectivity is due to a selectivity of transferred energy which paradoxically increases with the molecule vibrational content because of a resonance phenomenon of energies transferred by dipole-dipole interaction [fr
Continuum radiation of argon plasma
International Nuclear Information System (INIS)
D'Yachkov, L.G.
1995-01-01
A simple completely analytical method of the calculation of radiative continuum of plasmas is derived and an analysis of experimental data on continuum radiation of argon plasma is made. The method is based on the semiclassical quantum defect theory. To calculate radial matrix elements of dipole transitions the asymptotic expansion in powers of E c /ω 2/3 , with an accuracy to the linear term, where E, is the arithmetic mean of the initial and final energies of the transition, is used. This expansion has the same form for free-free, free-bound and bound-bound transitions. If the quantum defects are also approximated by a linear function of energy, the integration over the electron energy (the Maxwell-Boltzmann distribution is assumed) can be performed in analytical form. For Rydberg states the sum of photoionization continua can be replaced by an integral. We have calculated the absorption coefficient pf argon plasma. The photoionization cross section is calculated for all the states of 4s, 5s, 6s, 4p, 5p, 3d, 4d, 4s', 5s', 6s', 4p', 5p', 3d' and 4d' configurations taking into account P-coupling and multiplet splitting (56 states). Other excited states are allowed for by the integral formula together with free-free transitions
Photodissociation of C3H5Br and C4H7Br at 234 nm
International Nuclear Information System (INIS)
Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu; Lee, Kyoung Seok
2012-01-01
The photodissociation dynamics of cyclopropyl bromide (C-3H 5 Br) and cyclobutyl bromide (C 4 H 7 Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br( 2 P 3/2 ) and Br*( 2 P 1/2 ) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C 3 H 5 Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C 4 H 7 Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C 3 H 5 Br and C 4 H 7 Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed
Ranka, Karnamohit; Zhao, Ning; Yu, Long; Stanton, John F; Polfer, Nicolas C
2018-05-29
We report on the ultraviolet photodissociation (UVPD) chemistry of protonated tyrosine, iodotyrosine, and diiodotyrosine. Distonic loss of the iodine creates a high-energy radical at the aromatic ring that engages in hydrogen/proton rearrangement chemistry. Based on UVPD kinetics measurements, the appearance of this radical is coincident with the UV irradiation pulse (8 ns). Conversely, sequential UVPD product ions exhibit metastable decay on ca. 100 ns timescales. Infrared ion spectroscopy is capable of confirming putative structures of the rearrangement products as proton transfers from the imine and β-carbon hydrogens. Potential energy surfaces for the various reaction pathways indicate that the rearrangement chemistry is highly complex, compatible with a cascade of rearrangements, and that there is no preferred rearrangement pathway even in small molecular systems like these. Graphical Abstract.
Alligood, Bridget W.; FitzPatrick, Benjamin L.; Szpunar, David E.; Butler, Laurie J.
2011-02-01
We use a combination of crossed laser-molecular beam experiments and velocity map imaging experiments to investigate the primary photofission channels of chloroacetone at 193 nm; we also probe the dissociation dynamics of the nascent CH3C(O)CH2 radicals formed from C-Cl bond fission. In addition to the C-Cl bond fission primary photodissociation channel, the data evidence another photodissociation channel of the precursor, C-C bond fission to produce CH3CO and CH2Cl. The CH3C(O)CH2 radical formed from C-Cl bond fission is one of the intermediates in the OH + allene reaction en route to CH3 + ketene. The 193 nm photodissociation laser allows us to produce these CH3C(O)CH2 radicals with enough internal energy to span the dissociation barrier leading to the CH3 + ketene asymptote. Therefore, some of the vibrationally excited CH3C(O)CH2 radicals undergo subsequent dissociation to CH3 + ketene products; we are able to measure the velocities of these products using both the imaging and scattering apparatuses. The results rule out the presence of a significant contribution from a C-C bond photofission channel that produces CH3 and COCH2Cl fragments. The CH3C(O)CH2 radicals are formed with a considerable amount of energy partitioned into rotation; we use an impulsive model to explicitly characterize the internal energy distribution. The data are better fit by using the C-Cl bond fission transition state on the S1 surface of chloroacetone as the geometry at which the impulsive force acts, not the Franck-Condon geometry. Our data suggest that, even under atmospheric conditions, the reaction of OH with allene could produce a small branching to CH3 + ketene products, rather than solely producing inelastically stabilized adducts. This additional channel offers a different pathway for the OH-initiated oxidation of such unsaturated volatile organic compounds, those containing a C=C=C moiety, than is currently included in atmospheric models.
Asymmetric continuum extreme processes in solids and fluids
Teisseyre, Roman
2014-01-01
This book deals with a class of basic deformations in asymmetric continuum theory. It describes molecular deformations and transport velocities in fluids, strain deformations in solids as well as the molecular transport, important in fracture processes.
Monitoring the HIV continuum of care in key populations across Europe and Central Asia.
Brown, A E; Attawell, K; Hales, D; Rice, B D; Pharris, A; Supervie, V; Van Beckhoven, D; Delpech, V C; An der Heiden, M; Marcus, U; Maly, M; Noori, T
2018-05-08
The aim of the study was to measure and compare national continuum of HIV care estimates in Europe and Central Asia in three key subpopulations: men who have sex with men (MSM), people who inject drugs (PWID) and migrants. Responses to a 2016 European Centre for Disease Prevention and Control (ECDC) survey of 55 European and Central Asian countries were used to describe continuums of HIV care for the subpopulations. Data were analysed using three frameworks: Joint United Nations Programme on HIV/AIDS (UNAIDS) 90-90-90 targets; breakpoint analysis identifying reductions between adjacent continuum stages; quadrant analysis categorizing countries using 90% cut-offs for continuum stages. Overall, 29 of 48 countries reported national data for all HIV continuum stages (numbers living with HIV, diagnosed, receiving treatment and virally suppressed). Six countries reported all stages for MSM, seven for PWID and two for migrants. Thirty-one countries did not report data for MSM (34 for PWID and 41 for migrants). In countries that provided key-population data, overall, 63%, 40% and 41% of MSM, PWID and migrants living with HIV were virally suppressed, respectively (compared with 68%, 65% and 68% nationally, for countries reporting key-population data). Variation was observed between countries, with higher outcomes in subpopulations in Western Europe compared with Eastern Europe and Central Asia. Few reporting countries can produce the continuum of HIV care for the three key populations. Where data are available, differences exist in outcomes between the general and key populations. While MSM broadly mirror national outcomes (in the West), PWID and migrants experience poorer treatment and viral suppression. Countries must develop continuum measures for key populations to identify and address inequalities. © 2018 British HIV Association.
Continuum limit of gl(M vertical stroke N) spin chains
International Nuclear Information System (INIS)
Candu, Constantin
2011-03-01
We study the spectrum of an integrable antiferromagnetic Hamiltonian of the gl(M vertical stroke N) spin chain of alternating fundamental and dual representations. After extensive numerical analysis, we identify the vacuum and low lying excitations and with this knowledge perform the continuum limit, while keeping a finite gap. All antiferromagnetic gl(n+N vertical stroke N) spin chains with n>0 and N≠0 are shown to possess in the continuum limit 2n-2 multiplets of massive particles which scatter with gl(n) Gross-Neveu like S-matrices, namely their eigenvalues do not depend on N. We argue that the continuum theory is the gl(M vertical stroke N) Gross-Neveu model, that is the massive deformation of the gl(M vertical stroke N) 1 Wess-Zumino-Witten model. As we can see ion the example of gl(2m vertical stroke 1) spin chains, the full particle spectrum is much richer. Our analysis suggests that for a complete characterization of the latter it is not enough to restrict to large volume calculations, as we do in this work. (orig.)
Investigation of the continuum radiation from a high pressure argon arc
International Nuclear Information System (INIS)
Glasser, J.; Chapelle, J.
1975-01-01
At the high electronic densities existing in high temperature strongly correlated plasmas (with number of electrons in the Debye sphere Nd<<1) it is sometimes difficult to find lines for which Stark broadening allows determination of electronic density. Since the broadening effect is rather strong, the lines overlap or could not be easily extracted from the intense continuous background. The continuum emission in the UV, visible and near infra-red regions, principally due to the radiative recombination, could thus be widely used for the diagnostics of such plasmas. So far a limited number of data on the continuum emission of Argon plasma is available. At the same time certain discrepancies between theoretical predictions and experiments have also been found. The aim of this work is to obtain more elaborated data on the Argon continuum emission at high pressure, where the differences were found to be the largest. (Auth.)
Accommodating state shifts within the conceptual framework of the wetland continuum
Mushet, David M.; McKenna, Owen; LaBaugh, James W.; Euliss, Ned H.; Rosenberry, Donald O.
2018-01-01
The Wetland Continuum is a conceptual framework that facilitates the interpretation of biological studies of wetland ecosystems. Recently summarized evidence documenting how a multi-decadal wet period has influenced aspects of wetland, lake and stream systems in the southern prairie-pothole region of North America has revealed the potential for wetlands to shift among alternate states. We propose that incorporation of state shifts into the Wetland Continuum, as originally proposed or as modified by Hayashi et al., is a relatively simple matter if one allows for shifts of wetlands along the horizontal, groundwater axis of the framework under conditions of extreme and sustained wet or dry conditions. We suggest that the ease by which state shifts can be accommodated within both the original and modified frameworks of the Wetland Continuum is a testament to the robustness of the concept when it is related to the alternative-stable-state concept.
International Nuclear Information System (INIS)
Brus, V V
2013-01-01
A quantitative analysis of the impedance spectroscopy of semiconductor heterojunctions was carried out in the presence of interface state continuum at the heterojunction interface. A comparison of the impedance spectroscopy of semiconductor heterojunctions simulated in the context of the interface state continuum model with that simulated in the scope of the single-level state model was carried and possible misinterpretations were considered. The previously proposed approaches for the determination of the interface-state-related parameters and for the calculation of the actual barrier capacitance (the single-level state model) were modified in order to take into account the effect of interface state continuum. (paper)
A comparison of synthetic and measured solar continuum intensities and limb darkening coefficients
International Nuclear Information System (INIS)
Ayres, T.R.
1978-01-01
Absolute continuum intensities and wavelength-dependent low-order polynomial fits to optical and infrared continuum limb darkening provide useful discriminants among single-component models of the solar photosphere. The thermal structure in best quantitative agreement with the recent center-limb measurements by Pierce and Slaughter (1977) and by Pierce et.al. (1977) is the semi-empirical model by Vernazza, Avrett and Loeser (VAL). However, the VAL model M temperatures must be scaled upward by a factor of 1.015+-0.005 to be consistent with the Labs and Neckel absolute calibration of continuum high points in the optical region 0.40-0.65 μm. (Auth.)
Continuum contributions to dipole oscillator-strength sum rules for hydrogen in finite basis sets
DEFF Research Database (Denmark)
Oddershede, Jens; Ogilvie, John F.; Sauer, Stephan P. A.
2017-01-01
Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases, but that the conver......Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases......, but that the convergence towards the final results with increasing excitation energies included in the sum over states is slower in the basis-set cases when we use the best basis. We argue also that this conclusion most likely holds also for larger atoms or molecules....
Continuum mechanics of electromagnetic solids
Maugin, GA
1988-01-01
This volume is a rigorous cross-disciplinary theoretical treatment of electromechanical and magnetomechanical interactions in elastic solids. Using the modern style of continuum thermomechanics (but without excessive formalism) it starts from basic principles of mechanics and electromagnetism, and goes on to unify these two fields in a common framework. It treats linear and nonlinear static and dynamic problems in a variety of elastic solids such as piezoelectrics, electricity conductors, ferromagnets, ferroelectrics, ionic crystals and ceramics. Chapters 1-3 are introductory, describing the e
State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band
International Nuclear Information System (INIS)
Jiang Bin; Xie Daiqian; Guo Hua
2012-01-01
State-to-state photodissociation dynamics of H 2 O in its B band has been investigated quantum mechanically on a new set of non-adiabatically coupled potential energy surfaces for the lowest two 1 A' states of H 2 O, which are developed at the internally contracted multi-reference configuration interaction level with the aug-cc-pVQZ basis set. Quantum dynamical calculations carried out using the Chebyshev propagator yield absorption spectra, product state distributions, branching ratios, and differential cross sections, which are in reasonably good agreement with the latest experimental results. Particular focus is placed here on the dependence of various dynamical observables on the photon energy. Detailed analyses of the dynamics have assigned the diffuse structure in absorption spectrum to short-time recurring dynamics near the HOH conical intersection. The non-adiabatic dissociation to the ground state OH product via the HOH conical intersection is facile, direct, fast, and produces rotationally hot OH(X-tilde) products. On the other hand, the adiabatic channel on the excited state leading to the OH(A-tilde) product is dominated by long-lived resonances, which depend sensitively on the potential energy surfaces.
A Geometry Deformation Model for Braided Continuum Manipulators
Directory of Open Access Journals (Sweden)
S. M. Hadi Sadati
2017-06-01
Full Text Available Continuum manipulators have gained significant attention in the robotic community due to their high dexterity, deformability, and reachability. Modeling of such manipulators has been shown to be very complex and challenging. Despite many research attempts, a general and comprehensive modeling method is yet to be established. In this paper, for the first time, we introduce the bending effect in the model of a braided extensile pneumatic actuator with both stiff and bendable threads. Then, the effect of the manipulator cross-section deformation on the constant curvature and variable curvature models is investigated using simple analytical results from a novel geometry deformation method and is compared to experimental results. We achieve 38% mean reference error simulation accuracy using our constant curvature model for a braided continuum manipulator in presence of body load and 10% using our variable curvature model in presence of extensive external loads. With proper model assumptions and taking to account the cross-section deformation, a 7–13% increase in the simulation mean error accuracy is achieved compared to a fixed cross-section model. The presented models can be used for the exact modeling and design optimization of compound continuum manipulators by providing an analytical tool for the sensitivity analysis of the manipulator performance. Our main aim is the application in minimal invasive manipulation with limited workspaces and manipulators with regional tunable stiffness in their cross section.
Photodissociation of HCN and HNC isomers in the 7-10 eV energy range
Energy Technology Data Exchange (ETDEWEB)
Chenel, Aurelie; Roncero, Octavio, E-mail: octavio.roncero@csic.es [Instituto de Física Fundamental (IFF-CSIC), C.S.I.C., Serrano 123, 28006 Madrid (Spain); Aguado, Alfredo [Departamento de Química Física Aplicada (UAM), Unidad Asociada a IFF-CSIC, Facultad de Ciencias Módulo 14, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Agúndez, Marcelino; Cernicharo, José [Instituto de Ciencia de Materiales de Madrid, CSIC, C/ Sor Juana Inés de la Cruz 3, 28049 Cantoblanco (Spain)
2016-04-14
The ultraviolet photoabsorption spectra of the HCN and HNC isomers have been simulated in the 7-10 eV photon energy range. For this purpose, the three-dimensional adiabatic potential energy surfaces of the 7 lowest electronic states, and the corresponding transition dipole moments, have been calculated, at multireference configuration interaction level. The spectra are calculated with a quantum wave packet method on these adiabatic potential energy surfaces. The spectra for the 3 lower excited states, the dissociative electronic states, correspond essentially to predissociation peaks, most of them through tunneling on the same adiabatic state. The 3 higher electronic states are bound, hereafter electronic bound states, and their spectra consist of delta lines, in the adiabatic approximation. The radiative lifetime towards the ground electronic states of these bound states has been calculated, being longer than 10 ns in all cases, much longer that the characteristic predissociation lifetimes. The spectra of HCN is compared with the available experimental and previous theoretical simulations, while in the case of HNC there are no previous studies to our knowledge. The spectrum for HNC is considerably more intense than that of HCN in the 7-10 eV photon energy range, which points to a higher photodissociation rate for HNC, compared to HCN, in astrophysical environments illuminated by ultraviolet radiation.
Schomerus, G; Angermeyer, M C; Baumeister, S E; Stolzenburg, S; Link, B G; Phelan, J C
2016-02-01
A core component of stigma is being set apart as a distinct, dichotomously different kind of person. We examine whether information on a continuum from mental health to mental illness reduces stigma. Online survey experiment in a quota sample matching the German population for age, gender and region (n=1679). Participants randomly received information on either (1) a continuum, (2) a strict dichotomy of mental health and mental illness, or (3) no information. We elicited continuity beliefs and stigma toward a person with schizophrenia or depression. The continuum intervention decreased perceived difference by 0.19 standard deviations (SD, Pmental illness can be improved by providing information on a mental health-mental illness continuum. Copyright © 2015 Elsevier Masson SAS. All rights reserved.
Continuum damage mechanics method for fatigue growth of surface cracks
International Nuclear Information System (INIS)
Feng Xiqiao; He Shuyan
1997-01-01
With the background of leak-before-break (LBB) analysis of pressurized vessels and pipes in nuclear plants, the fatigue growth problem of either circumferential or longitudinal semi-elliptical surface cracks subjected to cyclic loading is studied by using a continuum damage mechanics method. The fatigue damage is described by a scalar damage variable. From the damage evolution equation at the crack tip, a crack growth equation similar to famous Paris' formula is derived, which shows the physical meaning of Paris' formula. Thereby, a continuum damage mechanics approach is developed to analyze the configuration evolution of surface cracks during fatigue growth
Relativistic continuum physics for the description of heavy ion collisions
International Nuclear Information System (INIS)
Lukacs, Bela
1986-01-01
The application of relativistic continuum physics to the description of the nuclear fireball evolution from the start of expansion to the breaking is discussed. The basic formalism and basic assumptions of relativistic hydrodynamics and thermodynamics are analyzed in detail. The four basic assumptions are not valid in the case of nuclear fireball produced in heavy ion collisions, but thermodynamics can be extended in different ways to incorporate anisotropy, fluctuations, gradients and the lack of the local equilibrium. The extended continuum formalism is applicable to the description of the nuclear fireball dynamics, including the nuclear - quark matter phase transition. (D.Gy.)
Bound states in continuum: Quantum dots in a quantum well
Energy Technology Data Exchange (ETDEWEB)
Prodanović, Nikola, E-mail: elnpr@leeds.ac.uk [Institute of Microwaves and Photonics, School of Electronic and Electrical Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT (United Kingdom); Milanović, Vitomir [School of Electrical Engineering, University of Belgrade, Bulevar Kralja Aleksandra 73, 11000 Belgrade (Serbia); Ikonić, Zoran; Indjin, Dragan; Harrison, Paul [Institute of Microwaves and Photonics, School of Electronic and Electrical Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT (United Kingdom)
2013-11-01
We report on the existence of a bound state in the continuum (BIC) of quantum rods (QR). QRs are novel elongated InGaAs quantum dot nanostructures embedded in the shallower InGaAs quantum well. BIC appears as an excited confined dot state and energetically above the bottom of a well subband continuum. We prove that high height-to-diameter QR aspect ratio and the presence of a quantum well are indispensable conditions for accommodating the BIC. QRs are unique semiconductor nanostructures, exhibiting this mathematical curiosity predicted 83 years ago by Wigner and von Neumann.
Static third-harmonic lines in widely variable fiber continuum generation
Tu, Haohua; Zhao, Youbo; Liu, Yuan; Boppart, Stephen A.
2014-01-01
An intriguing phenomenon of third-harmonic generation under fiber continuum generation is the emission of an anharmonic signal. One popular interpretation of this effect has developed into a general theory of fiber third-harmonic generation. Here we produce "static" third-harmonic lines dictated fully by fiber properties independent of pump parameters, in contrast to the signals of all known phase-matched nonlinear optical processes that vary dynamically with these parameters. We argue that the anharmonic signal is an illusion of the continuum generation, that it is in fact harmonic, and that this theory should be reevaluated.
Heavy quark masses in the continuum limit of quenched Lattice QCD
International Nuclear Information System (INIS)
De Divitiis, G.M.; Guagnelli, M.; Palombi, F.; Petronzio, R.; Tantalo, N.
2003-01-01
We compute charm and bottom quark masses in the quenched approximation and in the continuum limit of lattice QCD. We make use of a step scaling method, previously introduced to deal with two scale problems, that allows to take the continuum limit of the lattice data. We determine the RGI quark masses and make the connection to the MS-bar scheme. The continuum extrapolation gives us a value m b RGI =6.73(16) GeV for the b-quark and m c RGI =1.681(36) GeV for the c-quark, corresponding, respectively, to m b MS-bar (m b MS-bar =4.33(10) GeV and m c MS-bar (m c MS-bar =1.319(28) GeV. The latter result, in agreement with current estimates, is for us a check of the method. Using our results on the heavy quark masses we compute the mass of the B c meson, M B c =6.46(15) GeV
Landau-Zener transitions and Dykhne formula in a simple continuum model
Dunham, Yujin; Garmon, Savannah
The Landau-Zener model describing the interaction between two linearly driven discrete levels is useful in describing many simple dynamical systems; however, no system is completely isolated from the surrounding environment. Here we examine a generalizations of the original Landau-Zener model to study simple environmental influences. We consider a model in which one of the discrete levels is replaced with a energy continuum, in which we find that the survival probability for the initially occupied diabatic level is unaffected by the presence of the continuum. This result can be predicted by assuming that each step in the evolution for the diabatic state evolves independently according to the Landau-Zener formula, even in the continuum limit. We also show that, at least for the simplest model, this result can also be predicted with the natural generalization of the Dykhne formula for open systems. We also observe dissipation as the non-escape probability from the discrete levels is no longer equal to one.
Series Pneumatic Artificial Muscles (sPAMs) and Application to a Soft Continuum Robot.
Greer, Joseph D; Morimoto, Tania K; Okamura, Allison M; Hawkes, Elliot W
2017-01-01
We describe a new series pneumatic artificial muscle (sPAM) and its application as an actuator for a soft continuum robot. The robot consists of three sPAMs arranged radially round a tubular pneumatic backbone. Analogous to tendons, the sPAMs exert a tension force on the robot's pneumatic backbone, causing bending that is approximately constant curvature. Unlike a traditional tendon driven continuum robot, the robot is entirely soft and contains no hard components, making it safer for human interaction. Models of both the sPAM and soft continuum robot kinematics are presented and experimentally verified. We found a mean position accuracy of 5.5 cm for predicting the end-effector position of a 42 cm long robot with the kinematic model. Finally, closed-loop control is demonstrated using an eye-in-hand visual servo control law which provides a simple interface for operation by a human. The soft continuum robot with closed-loop control was found to have a step-response rise time and settling time of less than two seconds.
Continuum photon spectrum from Z1Z1 annihilations in universal extra dimensions
International Nuclear Information System (INIS)
Melbéus, Henrik; Merle, Alexander; Ohlsson, Tommy
2012-01-01
We calculate the continuum photon spectrum from the pair annihilation of a Z 1 LKP in non-minimal universal extra dimensions. We find that, due to the preferred annihilation into W + W - pairs, the continuum flux of collinear photons is relatively small compared to the standard case of the B 1 as the LKP. This conclusion applies in particular to the spectral endpoint, where also the additional fermionic contributions are not large enough to increase the flux significantly. When searching for the line signal originating from Z 1 Z 1 annihilations, this is actually a perfect situation, since the continuum signal can be regarded as background to the smoking gun signature of a peak in the photon flux at an energy that is nearly equal to the mass of the dark matter particle. This signal, in combination with (probably) a non-observation of the continuum signal at lower photon energies, constitutes a perfect handle to probe the hypothesis of the Z 1 LKP being the dominant component of the dark matter observed in the Universe.
Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm
Energy Technology Data Exchange (ETDEWEB)
Blank, D.A.; North, S.W.; Stranges, D. [Lawrence Berkeley National Lab., CA (United States)] [and others
1997-04-01
When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH{sub 3}SOCH{sub 3}) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH{sub 3} intermediate prior to dissociation to define a stepwise dissociation: (1) CH{sub 3}SOCH{sub 3} {r_arrow} 2CH{sub 3} + SO; (2a) CH{sub 3}SOCH{sub 3} {r_arrow} CH{sub 3} + SOCH{sub 3}; and (2b) SOCH{sub 3} {r_arrow} SO + CH{sub 3}. Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH{sub 3} and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH{sub 3} intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2.
Double photoionization of helium: A new correlated double continuum wave function
Energy Technology Data Exchange (ETDEWEB)
Macri, P.A.; Kornberg, M.A.; Miraglia, J.E. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina). Inst. de Astron. y Fisica del Espacio; Garibotti, C.R.; Gasaneo, G.; Colavecchia, F.D. [Centro Atomico Bariloche, Comision Nacional de Energia Atomica, 8400 S.C. de Bariloche, Rio Negro (Argentina)
1997-10-01
In this work we discuss the failures and goodness of using the product of two and three Coulomb waves to represent the double-continuum wave function of two electrons in the field of an ion. Furthermore, we present a new wave function for the double continuum, which takes into account the non-diagonal part of the kinetic energy. It satisfies the correct boundary conditions for large particle separations, and treats the electronic interaction in a more realistic way than the previously enunciated models. (orig.). 14 refs.
Topology and layout optimization of discrete and continuum structures
Bendsoe, Martin P.; Kikuchi, Noboru
1993-01-01
The basic features of the ground structure method for truss structure an continuum problems are described. Problems with a large number of potential structural elements are considered using the compliance of the structure as the objective function. The design problem is the minimization of compliance for a given structural weight, and the design variables for truss problems are the cross-sectional areas of the individual truss members, while for continuum problems they are the variable densities of material in each of the elements of the FEM discretization. It is shown how homogenization theory can be applied to provide a relation between material density and the effective material properties of a periodic medium with a known microstructure of material and voids.
Antieigenvalue analysis for continuum mechanics, economics, and number theory
Directory of Open Access Journals (Sweden)
Gustafson Karl
2016-01-01
Full Text Available My recent book Antieigenvalue Analysis, World-Scientific, 2012, presented the theory of antieigenvalues from its inception in 1966 up to 2010, and its applications within those forty-five years to Numerical Analysis, Wavelets, Statistics, Quantum Mechanics, Finance, and Optimization. Here I am able to offer three further areas of application: Continuum Mechanics, Economics, and Number Theory. In particular, the critical angle of repose in a continuum model of granular materials is shown to be exactly my matrix maximum turning angle of the stress tensor of the material. The important Sharpe ratio of the Capital Asset Pricing Model is now seen in terms of my antieigenvalue theory. Euclid’s Formula for Pythagorean triples becomes a special case of my operator trigonometry.
Multiple Temperature Model for Near Continuum Flows
International Nuclear Information System (INIS)
XU, Kun; Liu, Hongwei; Jiang, Jianzheng
2007-01-01
In the near continuum flow regime, the flow may have different translational temperatures in different directions. It is well known that for increasingly rarefied flow fields, the predictions from continuum formulation, such as the Navier-Stokes equations, lose accuracy. These inaccuracies may be partially due to the single temperature assumption in the Navier-Stokes equations. Here, based on the gas-kinetic Bhatnagar-Gross-Krook (BGK) equation, a multitranslational temperature model is proposed and used in the flow calculations. In order to fix all three translational temperatures, two constraints are additionally proposed to model the energy exchange in different directions. Based on the multiple temperature assumption, the Navier-Stokes relation between the stress and strain is replaced by the temperature relaxation term, and the Navier-Stokes assumption is recovered only in the limiting case when the flow is close to the equilibrium with the same temperature in different directions. In order to validate the current model, both the Couette and Poiseuille flows are studied in the transition flow regime
Nematic Liquid Crystals: From Maier-Saupe to a Continuum Theory
Ball, John M.
2010-07-20
We define a continuum energy functional that effectively interpolates between the mean-field Maier-Saupe energy and the continuum Landau-de Gennes energy functional and can describe both spatially homogeneous and inhomogeneous systems. In the mean-field approach the main macroscopic variable, the Q-tensor order parameter, is defined in terms of the second moment of a probability distribution function. This definition imposes certain constraints on the eigenvalues of the Q-tensor order parameter, which may be interpreted as physical constraints. We define a thermotropic bulk potential which blows up whenever the eigenvalues of the Q-tensor order parameter approach physically unrealistic values. As a consequence, the minimizers of this continuum energy functional have physically realistic order parameters in all temperature regimes. We study the asymptotics of this bulk potential and show that this model also predicts a first-order nematic-isotropic phase transition, whilst respecting the physical constraints. In contrast, in the Landau-de Gennes framework the Q-tensor order parameter is often defined independently of the probability distribution function, and the theory makes physically unrealistic predictions about the equilibrium order parameters in the low-temperature regime. Copyright © Taylor & Francis Group, LLC.
Continuum limit of gl(M vertical stroke N) spin chains
Energy Technology Data Exchange (ETDEWEB)
Candu, Constantin [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Gruppe Theorie
2011-03-15
We study the spectrum of an integrable antiferromagnetic Hamiltonian of the gl(M vertical stroke N) spin chain of alternating fundamental and dual representations. After extensive numerical analysis, we identify the vacuum and low lying excitations and with this knowledge perform the continuum limit, while keeping a finite gap. All antiferromagnetic gl(n+N vertical stroke N) spin chains with n>0 and N{ne}0 are shown to possess in the continuum limit 2n-2 multiplets of massive particles which scatter with gl(n) Gross-Neveu like S-matrices, namely their eigenvalues do not depend on N. We argue that the continuum theory is the gl(M vertical stroke N) Gross-Neveu model, that is the massive deformation of the gl(M vertical stroke N){sub 1} Wess-Zumino-Witten model. As we can see ion the example of gl(2m vertical stroke 1) spin chains, the full particle spectrum is much richer. Our analysis suggests that for a complete characterization of the latter it is not enough to restrict to large volume calculations, as we do in this work. (orig.)
Continuum modelling for carbon and boron nitride nanostructures
International Nuclear Information System (INIS)
Thamwattana, Ngamta; Hill, James M
2007-01-01
Continuum based models are presented here for certain boron nitride and carbon nanostructures. In particular, certain fullerene interactions, C 60 -C 60 , B 36 N 36 -B 36 N 36 and C 60 -B 36 N 36 , and fullerene-nanotube oscillator interactions, C 60 -boron nitride nanotube, C 60 -carbon nanotube, B 36 N 36 -boron nitride nanotube and B 36 N 36 -carbon nanotube, are studied using the Lennard-Jones potential and the continuum approach, which assumes a uniform distribution of atoms on the surface of each molecule. Issues regarding the encapsulation of a fullerene into a nanotube are also addressed, including acceptance and suction energies of the fullerenes, preferred position of the fullerenes inside the nanotube and the gigahertz frequency oscillation of the inner molecule inside the outer nanotube. Our primary purpose here is to extend a number of established results for carbon to the boron nitride nanostructures
Continuum mechanical and computational aspects of material behavior
Energy Technology Data Exchange (ETDEWEB)
Fried, Eliot; Gurtin, Morton E.
2000-02-10
The focus of the work is the application of continuum mechanics to materials science, specifically to the macroscopic characterization of material behavior at small length scales. The long-term goals are a continuum-mechanical framework for the study of materials that provides a basis for general theories and leads to boundary-value problems of physical relevance, and computational methods appropriate to these problems supplemented by physically meaningful regularizations to aid in their solution. Specific studies include the following: the development of a theory of polycrystalline plasticity that incorporates free energy associated with lattice mismatch between grains; the development of a theory of geometrically necessary dislocations within the context of finite-strain plasticity; the development of a gradient theory for single-crystal plasticity with geometrically necessary dislocations; simulations of dynamical fracture using a theory that allows for the kinking and branching of cracks; computation of segregation and compaction in flowing granular materials.
Evidence for concerted ring opening and C–Br bond breaking in UV-excited bromocyclopropane
Energy Technology Data Exchange (ETDEWEB)
Pandit, Shubhrangshu; Preston, Thomas J.; Orr-Ewing, Andrew J., E-mail: a.orr-ewing@bristol.ac.uk [School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS (United Kingdom); King, Simon J.; Vallance, Claire [Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Road, Oxford OX1 3TA (United Kingdom)
2016-06-28
Photodissociation of gaseous bromocyclopropane via its A-band continuum has been studied at excitation wavelengths ranging from 230 nm to 267 nm. Velocity-map images of ground-state bromine atoms (Br), spin-orbit excited bromine atoms (Br{sup ∗}), and C{sub 3}H{sub 5} hydrocarbon radicals reveal the kinetic energies of these various photofragments. Both Br and Br{sup ∗} atoms are predominantly generated via repulsive excited electronic states in a prompt photodissociation process in which the hydrocarbon co-fragment is a cyclopropyl radical. However, the images obtained at the mass of the hydrocarbon radical fragment identify a channel with total kinetic energy greater than that deduced from the Br and Br{sup ∗} images, and with a kinetic energy distribution that exceeds the energetic limit for Br + cyclopropyl radical products. The velocity-map images of these C{sub 3}H{sub 5} fragments have lower angular anisotropies than measured for Br and Br{sup ∗}, indicating molecular restructuring during dissociation. The high kinetic energy C{sub 3}H{sub 5} signals are assigned to allyl radicals generated by a minor photochemical pathway which involves concerted C–Br bond dissociation and cyclopropyl ring-opening following single ultraviolet (UV)-photon absorption. Slow photofragments also contribute to the velocity map images obtained at the C{sub 3}H{sub 5} radical mass, but the corresponding slow Br atoms are not observed. These features in the images are attributed to C{sub 3}H{sub 5}{sup +} from the photodissociation of the C{sub 3}H{sub 5}Br{sup +} molecular cation following two-photon ionization of the parent compound. This assignment is confirmed by 118-nm vacuum ultraviolet ionization studies that prepare the molecular cation in its ground electronic state prior to UV photodissociation.
Nano-Continuum Modeling of a Nuclear Glass Specimen Altered for 25 Years
Energy Technology Data Exchange (ETDEWEB)
Steefel, Carl
2014-01-06
The purpose of this contribution is to report on preliminary nano-continuum scale modeling of nuclear waste glass corrosion. The focus of the modeling is an experiment involving a French glass SON68 specimen leached for 25 years in a granitic environment. In this report, we focus on capturing the nano-scale concentration profiles. We use a high resolution continuum model with a constant grid spacing of 1 nanometer to investigate the glass corrosion mechanisms.
Systematic classical continuum limits of integrable spin chains and emerging novel dualities
International Nuclear Information System (INIS)
Avan, Jean; Doikou, Anastasia; Sfetsos, Konstadinos
2010-01-01
We examine certain classical continuum long wave-length limits of prototype integrable quantum spin chains. We define the corresponding construction of classical continuum Lax operators. Our discussion starts with the XXX chain, the anisotropic Heisenberg model and their generalizations and extends to the generic isotropic and anisotropic gl n magnets. Certain classical and quantum integrable models emerging from special 'dualities' of quantum spin chains, parametrized by c-number matrices, are also presented.
Continuum theory for nanotube piezoelectricity.
Michalski, P J; Sai, Na; Mele, E J
2005-09-09
We develop and solve a continuum theory for the piezoelectric response of one-dimensional nanotubes and nanowires, and apply the theory to study electromechanical effects in boron-nitride nanotubes. We find that the polarization of a nanotube depends on its aspect ratio, and a dimensionless constant specifying the ratio of the strengths of the elastic and electrostatic interactions. The solutions of the model as these two parameters are varied are discussed. The theory is applied to estimate the electric potential induced along the length of a boron-nitride nanotube in response to a uniaxial stress.
Modelos contínuos do solvente: fundamentos Continuum solvation models: fundamentals
Directory of Open Access Journals (Sweden)
Josefredo R. Pliego Jr
2006-06-01
Full Text Available Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range of applications goes from the calculation of partition coefficients to chemical reactions in solution. The present work presents a detailed explanation of the physical foundations of continuum models. We discuss the polarization of a dielectric and its representation through the volume and surface polarization charges. The Poisson equation for a dielectric was obtained and we have also derived and discuss the apparent surface charge method and its application for free energy of solvation calculations.
[From Aliya to immigration, or the reading of a migratory continuum].
Berthomiere, W
1996-01-01
The author aims "to redraw the migratory trajectories which followed one another from the birth of the State [of Israel] until now....[He reads] these mobilities with the idea of [investigating] the migratory continuum in which the dialectic ¿centre-periphery' has with time become more complicated and more diversified. [The] reading presents the main periods of this continuum through a description of the Jewish mobilities and their impacts on the edification of the Israeli national ethos....[The author analyzes] the transformation in the ¿Israel-Diaspora' relations and [identifies] post-Zionist Jewish territoriality." (EXCERPT)
Control of density fluctuations in atomistic-continuum simulations of dense liquids
DEFF Research Database (Denmark)
Kotsalis, E.M.; Walther, Jens Honore; Koumoutsakos, P.
2007-01-01
with a continuum solver for the simulation of the Navier-Stokes equations. The lack of periodic boundary conditions in the molecular dynamics simulations hinders the proper accounting for the virial pressure leading to spurious density fluctuations at the continuum-atomistic interface. An ad hoc boundary force...... is usually employed to remedy this situation.We propose the calculation of this boundary force using a control algorithm that explicitly cancels the density fluctuations. The results demonstrate that the present approach outperforms state-of-the-art algorithms. The conceptual and algorithmic simplicity...
Continuum-Kinetic Models and Numerical Methods for Multiphase Applications
Nault, Isaac Michael
This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.
International Nuclear Information System (INIS)
Cornwall, J.M.
1986-01-01
The nonperturbative aspects of continuum QCD are so complex that one can only hope to approach them through well-motivated models. The author reviews the general properties that any such model must have, based on the understanding of the gluon condensate in the QCD vacuum. A specific, practical model is proposed motivated by a picture of the condensate as made of thick vortex sheets self-consistently constructed from dynamically massive gluons. (author)
Numerical Simulation of Transitional, Hypersonic Flows using a Hybrid Particle-Continuum Method
Verhoff, Ashley Marie
Analysis of hypersonic flows requires consideration of multiscale phenomena due to the range of flight regimes encountered, from rarefied conditions in the upper atmosphere to fully continuum flow at low altitudes. At transitional Knudsen numbers there are likely to be localized regions of strong thermodynamic nonequilibrium effects that invalidate the continuum assumptions of the Navier-Stokes equations. Accurate simulation of these regions, which include shock waves, boundary and shear layers, and low-density wakes, requires a kinetic theory-based approach where no prior assumptions are made regarding the molecular distribution function. Because of the nature of these types of flows, there is much to be gained in terms of both numerical efficiency and physical accuracy by developing hybrid particle-continuum simulation approaches. The focus of the present research effort is the continued development of the Modular Particle-Continuum (MPC) method, where the Navier-Stokes equations are solved numerically using computational fluid dynamics (CFD) techniques in regions of the flow field where continuum assumptions are valid, and the direct simulation Monte Carlo (DSMC) method is used where strong thermodynamic nonequilibrium effects are present. Numerical solutions of transitional, hypersonic flows are thus obtained with increased physical accuracy relative to CFD alone, and improved numerical efficiency is achieved in comparison to DSMC alone because this more computationally expensive method is restricted to those regions of the flow field where it is necessary to maintain physical accuracy. In this dissertation, a comprehensive assessment of the physical accuracy of the MPC method is performed, leading to the implementation of a non-vacuum supersonic outflow boundary condition in particle domains, and more consistent initialization of DSMC simulator particles along hybrid interfaces. The relative errors between MPC and full DSMC results are greatly reduced as a
HYBRID CONTINUUM-DISCONTINUUM MODELLING OF ROCK FRACUTRE PROCESS IN BRAZILIAN TENSILE STRENGTH TEST
Directory of Open Access Journals (Sweden)
Huaming An
2017-10-01
Full Text Available A hybrid continuum-discontinuum method is introduced to model the rock failure process in Brazilian tensile strength (BTS test. The key component of the hybrid continuum-discontinuum method, i.e. transition from continuum to discontinuum through fracture and fragmentation, is introduced in detail. A laboratory test is conducted first to capture the rock fracture pattern in the BTS test while the tensile strength is calculated according to the peak value of the loading forces. Then the proposed method is used to model the rock behaviour during BTS test. The stress propagation is modelled and compared with those modelled by finite element method in literatures. In addition, the crack initiation and propagation are captured and compared with the facture patter in laboratory test. Moreover, the force-loading displacement curve is obtained which represents a typical brittle material failure process. Furthermore, the stress distributions along the vertical direction are compared with the theoretical solution. It is concluded that the hybrid continuum-discontinuum method can model the stress propagation process and the entire rock failure process in BTS test. The proposed method is a valuable numerical tool for studying the rock behaviour involving the fracture and fragmentation processes.
Hybrid molecular–continuum methods: From prototypes to coupling software
Neumann, Philipp; Eckhardt, Wolfgang; Bungartz, Hans-Joachim
2014-01-01
In this contribution, we review software requirements in hybrid molecular-continuum simulations. For this purpose, we analyze a prototype implementation which combines two frameworks-the Molecular Dynamics framework MarDyn and the framework Peano
International Nuclear Information System (INIS)
Sinha, T.; Kanungo, R.; Samanta, C.; Ghosh, S.; Basu, P.; Rebel, H.
1996-01-01
Alpha- particle scattering from the resonant (3 + 1 ) and non-resonant continuum states of 6 Li is studied at incident energy 10 MeV/A. The α+d breakup continuum part within the excitation energy E ex = 1.475-2.475 MeV is discretized in two energy bins. Unlike the results at higher incident energies, here the coupled-channel calculations show significant breakup continuum coupling effects on the elastic and inelastic scattering. It is shown that even when the continuum-continuum coupling effects are strong, the experimental data of the ground state and the resonant as well as discretized non-resonant continuum states impose stringent constraint on the coupling strengths of the non-resonant continuum states. (orig.). With 2 figs., 1 tab
Cignarella, Andrea; Tedesco, Serena; Cappellari, Roberta; Fadini, Gian Paolo
2018-03-30
The monocyte-macrophage cell lineage represents a major player in innate immunity, and is involved in many physiologic and pathologic conditions. Particularly, monocyte-macrophages play a very important role in atherosclerosis and cardiovascular disease. Monocyte heterogeneity is well recognized but the biologic and clinical meaning of the various monocyte subtypes is not entirely understood. Traditionally, monocytes can be divided in classical, intermediate, and nonclassical based on expression of the surface antigens CD14 and CD16. While macrophage diversity is now well recognized to organize as a continuum, monocyte subsets have long been considered as separated entities. However, mounting evidence obtained by tracking the ontology of human monocytes help clarifying that monocytes mature from classical to nonclassical ones, through an intermediate phenotype. This concept is therefore best depicted as a continuum, whereas the subdivision into discrete CD14/CD16 subsets appears an oversimplification. In this review, we discuss the evidence supporting the existence of a monocyte continuum along with the technical challenges of monocyte characterization. In particular, we describe the advantage of considering monocytes along a continuous distribution for the evaluation of cardiovascular risk. We make the point that small transition along the monocyte continuum better reflects cardiovascular risk than a simplified analysis of discrete monocyte subsets. Recognizing the monocyte continuum can be helpful to model other pathophysiologic conditions where these cells are involved. ©2018 Society for Leukocyte Biology.
Non compact continuum limit of two coupled Potts models
International Nuclear Information System (INIS)
Vernier, Éric; Jacobsen, Jesper Lykke; Saleur, Hubert
2014-01-01
We study two Q-state Potts models coupled by the product of their energy operators, in the regime 2 3 (2) vertex model. It corresponds to a selfdual system of two antiferromagnetic Potts models, coupled ferromagnetically. We derive the Bethe ansatz equations and study them numerically for two arbitrary twist angles. The continuum limit is shown to involve two compact bosons and one non compact boson, with discrete states emerging from the continuum at appropriate twists. The non compact boson entails strong logarithmic corrections to the finite-size behaviour of the scaling levels, an understanding of which allows us to correct an earlier proposal for some of the critical exponents. In particular, we infer the full set of magnetic scaling dimensions (watermelon operators) of the Potts model. (paper)
Directory of Open Access Journals (Sweden)
Helder Miguel Fernandes
2005-12-01
Full Text Available A motivação intrínseca e os seus benefícios têm sido uma das principais áreas de investigação da Psicologia do Desporto. Contudo, o mesmo não se verifica quanto ao conhecimento do modo como os comportamentos são regulados e internalizados intrinsecamente pelos indivíduos. O propósito do presente estudo foi definir a validade de aplicação do continuum de auto-determinação (Deci & Ryan, 1985 no contexto da Educação Física. Uma amostra de 1099 alunos (544 moças e 555 rapazes com uma média de 14,66±0,75 anos de idade, respondeu a uma adaptação e tradução do questionário de Goudas, Biddle e Fox (1994 que visa medir as formas motivacionais definidas no continuum. Os procedimentos de modelação por equações estruturais evidenciaram suporte empírico para a utilização do continuum de auto-determinação na compreensão do modo como os alunos regulam intrinsecamente o seu comportamento neste contexto. São sugeridas algumas linhas de intervenção considerando os resultados obtidos.Intrinsic motivation and associated benefits has been one of the main investigation areas in Sport Psychology. However, the same is not denoted for the knowledge as behaviors are intrinsically regulated and internalized by individuals. The purpose of the present study is to define the validity of the self-determination's continuum application (Deci & Ryan, 1985 in the Physical Education context. A sample of 1099 students (544 girls and 555 boys with an average age of 14.66±0.75 years old answered an adaptation and translation of the Goudas, Biddle and Fox (1994 questionnaire that measures the motivational types delimited in the continuum. Structural equation modeling procedures evidenced empiric support for the self-determination's continuum use in the understanding of the way students intrinsically regulate their behavior in this context. Some lines of intervention are suggested considering the obtained results.
Testing a continuum structure of self-determined motivation: A meta-analysis.
Howard, Joshua L; Gagné, Marylène; Bureau, Julien S
2017-12-01
Self-determination theory proposes a multidimensional representation of motivation comprised of several factors said to fall along a continuum of relative autonomy. The current meta-analysis examined the relationships between these motivation factors in order to demonstrate how reliably they conformed to a predictable continuum-like pattern. Based on data from 486 samples representing over 205,000 participants who completed 1 of 13 validated motivation scales, the results largely supported a continuum-like structure of motivation and indicate that self-determination is central in explaining human motivation. Further examination of heterogeneity indicated that while regulations were predictably ordered across domains and scales, the exact distance between subscales varied across samples in a way that was not explainable by a set of moderators. Results did not support the inclusion of integrated regulation or the 3 subscales of intrinsic motivation (i.e., intrinsic motivation to know, to experience stimulation, and to achieve) due to excessively high interfactor correlations and overlapping confidence intervals. Recommendations for scale refinements and the scoring of motivation are provided. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
From discrete particles to continuum fields in mixtures
Weinhart, Thomas; Thornton, Anthony Richard; Yu, A; Dong, K; Yang, R; Luding, S; Luding, Stefan
2013-01-01
We present a novel way to extract continuum fields from discrete particle systems that is applicable to flowing mixtures as well as boundaries and interfaces. The mass and momentum balance equations for mixed flows are expressed in terms of the partial densities, velocities, stresses and interaction
Dissipation consistent fabric tensor definition from DEM to continuum for granular media
Li, X. S.; Dafalias, Y. F.
2015-05-01
In elastoplastic soil models aimed at capturing the impact of fabric anisotropy, a necessary ingredient is a measure of anisotropic fabric in the form of an evolving tensor. While it is possible to formulate such a fabric tensor based on indirect phenomenological observations at the continuum level, it is more effective and insightful to have the tensor defined first based on direct particle level microstructural observations and subsequently deduce a corresponding continuum definition. A practical means able to provide such observations, at least in the context of fabric evolution mechanisms, is the discrete element method (DEM). Some DEM defined fabric tensors such as the one based on the statistics of interparticle contact normals have already gained widespread acceptance as a quantitative measure of fabric anisotropy among researchers of granular material behavior. On the other hand, a fabric tensor in continuum elastoplastic modeling has been treated as a tensor-valued internal variable whose evolution must be properly linked to physical dissipation. Accordingly, the adaptation of a DEM fabric tensor definition to a continuum constitutive modeling theory must be thermodynamically consistent in regards to dissipation mechanisms. The present paper addresses this issue in detail, brings up possible pitfalls if such consistency is violated and proposes remedies and guidelines for such adaptation within a recently developed Anisotropic Critical State Theory (ACST) for granular materials.
New examples of continuum graded Lie algebras
International Nuclear Information System (INIS)
Savel'ev, M.V.
1989-01-01
Several new examples of continuum graded Lie algebras which provide an additional elucidation of these algebras are given. Here, in particular, the Kac-Moody algebras, the algebra S 0 Diff T 2 of infinitesimal area-preserving diffeomorphisms of the torus T 2 , the Fairlie, Fletcher and Zachos sine-algebras, etc., are described as special cases of the cross product Lie algebras. 8 refs
Continuum shell-model study of 16O and 40Ca
International Nuclear Information System (INIS)
Heil, V.; Stock, W.
1976-06-01
Continuum shell-model calculations of the E1 and E2 strengths in 16 O and 40 Ca are presented. A consistent microscopic description of both the giant resonances and isospin forbidden E1- transitions between bound states can be achieved through 1) a careful choice of the single-particle potential, 2) the use of a finite-range residual interaction (including the Coulomb particle-hole force), and 3) the removal of spurious states. The results obtained within the separation expansion approximation of Birkholz are in reasonable agreement with measured photonucleon angular distributions and formfactors for electroexcitation. The influence of the continuum on the isospin mixing in bound states is found to be very strong. (orig.) [de
Radio continuum emission from young stellar objects in L1641
International Nuclear Information System (INIS)
Morgan, J.A.; Snell, R.L.; Strom, K.M.
1990-01-01
The results of a 6 and 20 cm radio continuum survey of young stellar objects in the L1641 region located south of the Orion Nebula are presented. Four are identified as low-luminosity young stellar objects in L1641 and three more as Herbig-Haro or Herbig-Haro-like objects. These objects have bolometric luminosities between 80 and 300 solar, and their 6-20 cm spectral index suggests optically thick, free-free emission. They are characterized by a rising spectrum between 2.2 and 25 microns, have no optical counterparts, and are associated with stellar wind activity. Thus, detectable radio continuum emission may be produced only by the youngest and most luminous objects in L1641. 34 refs
Sutradhar, S.; Samanta, B. R.; Samanta, A. K.; Reisler, H.
2017-07-01
The 205-230 nm photodissociation of vibrationally excited CO2 at temperatures up to 1800 K was studied using Resonance Enhanced Multiphoton Ionization (REMPI) and time-sliced Velocity Map Imaging (VMI). CO2 molecules seeded in He were heated in an SiC tube attached to a pulsed valve and supersonically expanded to create a molecular beam of rotationally cooled but vibrationally hot CO2. Photodissociation was observed from vibrationally excited CO2 with internal energies up to about 20 000 cm-1, and CO(X1Σ+), O(3P), and O(1D) products were detected by REMPI. The large enhancement in the absorption cross section with increasing CO2 vibrational excitation made this investigation feasible. The internal energies of heated CO2 molecules that absorbed 230 nm radiation were estimated from the kinetic energy release (KER) distributions of CO(X1Σ+) products in v″ = 0. At 230 nm, CO2 needs to have at least 4000 cm-1 of rovibrational energy to absorb the UV radiation and produce CO(X1Σ+) + O(3P). CO2 internal energies in excess of 16 000 cm-1 were confirmed by observing O(1D) products. It is likely that initial absorption from levels with high bending excitation accesses both the A1B2 and B1A2 states, explaining the nearly isotropic angular distributions of the products. CO(X1Σ+) product internal energies were estimated from REMPI spectroscopy, and the KER distributions of the CO(X1Σ+), O(3P), and O(1D) products were obtained by VMI. The CO product internal energy distributions change with increasing CO2 temperature, suggesting that more than one dynamical pathway is involved when the internal energy of CO2 (and the corresponding available energy) increases. The KER distributions of O(1D) and O(3P) show broad internal energy distributions in the CO(X1Σ+) cofragment, extending up to the maximum allowed by energy but peaking at low KER values. Although not all the observations can be explained at this time, with the aid of available theoretical studies of CO2 VUV
Morrison, Kelsey A.; Clowers, Brian H.
2017-06-01
The alternative dissociation pathways initiated by ultraviolet photodissociation (UVPD) compared with collision-induced dissociation (CID) may provide useful diagnostic fragments for biomolecule identification, including glycans. However, underivatized glycans do not commonly demonstrate strong UV absorbance, resulting in low fragmentation yields for UVPD spectra. In contrast to UVPD experiments that leverage covalent modification of glycans, we detail the capacity of metal adduction to yield comparatively rich UVPD fragmentation patterns and enhance separation factors for an isomeric glycan set in a drift tube ion mobility system. Ion mobility and UVPD-MS spectra for two N-acetyl glycan isomers were examined, each adducted with sodium or cobalt cations, with the latter providing fragment yield gains of an order of magnitude versus sodium adducts. Furthermore, our glycan analysis incorporated front-end ion mobility separation such that the structural glycan isomers could still be identified even as a mixture and not simply composite spectra of isomeric standards. Cobalt adduction proved influential in the glycan separation by yielding an isomer resolution of 0.78 when analyzed simultaneously versus no discernable separation obtained with the sodium adducts. It is the combined enhancement of both isomeric drift time separation and isomer distinction with improved UVPD fragment ion yields that further bolster multivalent metal adduction for advancing glycan IM-MS experiments. [Figure not available: see fulltext.
Photodissociation dynamics of propene at 157.6 nm: Kinetic energy distributions and branching ratios
International Nuclear Information System (INIS)
Lee, S.-H.; Lee, Y.-Y.; Lee, Yuan T.; Yang Xueming
2003-01-01
Photodissociation dynamics of propene at 157.6 nm has been investigated in a molecular beam apparatus using the photofragment translational spectroscopic technique combined with the vacuum ultraviolet ionization method. Eleven photofragments have been successfully detected and ascribed to eight (five binary and three triple) dissociation channels: namely, C 3 H 5 +H, C 3 H 4 +H+H, C 3 H 4 +H 2 , C 3 H 3 +H 2 +H, C 2 H 4 +CH 2 , C 2 H 3 +CH 3 , C 2 H 2 +CH 4 , and C 2 H 2 +CH 3 +H. Their branching ratios have been determined to be 1%, 7%, 2 H 2 +CH 3 +H channel. In addition, the averaged kinetic energy releases and the fractions in translational energy have also been determined from the measured kinetic energy distributions. For the binary dissociation channels, the fractions in translational energy are less than 18% except the C 3 H 5 +H channel, whereas they are more than 42% for the triple dissociation channels. An intriguing finding indicates that the C 2 H 4 +CH 2 channel has a nearly identical kinetic energy distribution and a similar branching ratio to the C 2 H 3 +CH 3 channel, although the former undergoes a three-center elimination process different from the C-C bond rupture occurring in the latter
The Eating Disorders Continuum, Self-Esteem, and Perfectionism
Peck, Lisa D.; Lightsey, Owen Richard
2008-01-01
Among 261 undergraduate women, increased severity of eating disorders along a continuum was associated with decreased self-esteem, increased perfectionism, and increased scores on 7 subscales of the Eating Disorders Inventory-2. Women with eating disorders differed from both symptomatic women and asymptomatic women on all variables, whereas…
The Asymptotic Expansion of Lattice Loop Integrals Around the Continuum Limit
International Nuclear Information System (INIS)
Becher, Thomas G
2002-01-01
We present a method of computing any one-loop integral in lattice perturbation theory by systematically expanding around its continuum limit. At any order in the expansion in the lattice spacing, the result can be written as a sum of continuum loop integrals in analytic regularization and a few genuine lattice integrals (''master integrals''). These lattice master integrals are independent of external momenta and masses and can be computed numerically. At the one-loop level, there are four master integrals in a theory with only bosonic fields, seven in HQET and sixteen in QED or QCD with Wilson fermions
Identification of a transcriptional signature for the wound healing continuum
Peake, Matthew A; Caley, Mathew; Giles, Peter J; Wall, Ivan; Enoch, Stuart; Davies, Lindsay C; Kipling, David; Thomas, David W; Stephens, Phil
2014-01-01
There is a spectrum/continuum of adult human wound healing outcomes ranging from the enhanced (nearly scarless) healing observed in oral mucosa to scarring within skin and the nonhealing of chronic skin wounds. Central to these outcomes is the role of the fibroblast. Global gene expression profiling utilizing microarrays is starting to give insight into the role of such cells during the healing process, but no studies to date have produced a gene signature for this wound healing continuum. Microarray analysis of adult oral mucosal fibroblast (OMF), normal skin fibroblast (NF), and chronic wound fibroblast (CWF) at 0 and 6 hours post-serum stimulation was performed. Genes whose expression increases following serum exposure in the order OMF healing phenotype (the dysfunctional healing group), whereas genes with the converse pattern are potentially associated with a positive/preferential healing phenotype (the enhanced healing group). Sixty-six genes in the enhanced healing group and 38 genes in the dysfunctional healing group were identified. Overrepresentation analysis revealed pathways directly and indirectly associated with wound healing and aging and additional categories associated with differentiation, development, and morphogenesis. Knowledge of this wound healing continuum gene signature may in turn assist in the therapeutic assessment/treatment of a patient's wounds. PMID:24844339
Schizophrenia and the neurodevelopmental continuum:evidence from genomics.
Owen, Michael J; O'Donovan, Michael C
2017-10-01
The idea that disturbances occurring early in brain development contribute to the pathogenesis of schizophrenia, often referred to as the neurodevelopmental hypothesis, has become widely accepted. Despite this, the disorder is viewed as being distinct nosologically, and by implication pathophysiologically and clinically, from syndromes such as autism spectrum disorders, attention-deficit/hyperactivity disorder (ADHD) and intellectual disability, which typically present in childhood and are grouped together as "neurodevelopmental disorders". An alternative view is that neurodevelopmental disorders, including schizophrenia, rather than being etiologically discrete entities, are better conceptualized as lying on an etiological and neurodevelopmental continuum, with the major clinical syndromes reflecting the severity, timing and predominant pattern of abnormal brain development and resulting functional abnormalities. It has also been suggested that, within the neurodevelopmental continuum, severe mental illnesses occupy a gradient of decreasing neurodevelopmental impairment as follows: intellectual disability, autism spectrum disorders, ADHD, schizophrenia and bipolar disorder. Recent genomic studies have identified large numbers of specific risk DNA changes and offer a direct and robust test of the predictions of the neurodevelopmental continuum model and gradient hypothesis. These findings are reviewed in detail. They not only support the view that schizophrenia is a disorder whose origins lie in disturbances of brain development, but also that it shares genetic risk and pathogenic mechanisms with the early onset neurodevelopmental disorders (intellectual disability, autism spectrum disorders and ADHD). They also support the idea that these disorders lie on a gradient of severity, implying that they differ to some extent quantitatively as well as qualitatively. These findings have important implications for nosology, clinical practice and research. © 2017 World
Quasi-bound states in continuum
International Nuclear Information System (INIS)
Nakamura, Hiroaki; Hatano, Naomichi; Garmon, Sterling; Petrosky, Tomio
2007-08-01
We report the prediction of quasi-bound states (resonant states with very long lifetimes) that occur in the eigenvalue continuum of propagating states for a wide region of parameter space. These quasi-bound states are generated in a quantum wire with two channels and an adatom, when the energy bands of the two channels overlap. A would-be bound state that lays just below the upper energy band is slightly destabilized by the lower energy band and thereby becomes a resonant state with a very long lifetime (a second QBIC lays above the lower energy band). (author)
1300 micron continuum observations of the Sagittarius B2 molecular cloud core
International Nuclear Information System (INIS)
Goldsmith, P.F.; Snell, R.L.; Lis, D.C.
1987-01-01
Observations with 23-arcsec angular resolution are obtained of the continuum emission at 1300 microns wavelength from the central region of the Sgr B2 molecular cloud, which contains the north and middle high-mass star-forming regions and associated radio continuum and maser sources. The spatial resolution of the present data shows that the 1300-micron continuum emission peak is located at Sgr B2(N), in contrast to the midinfrared emission, which is centered on Sgr B2(M). Comparison with 53 micron data having comparable angular resolution suggests that there is optically thick foreground dust which prevents detection of Sgr B2(N) at wavelengths not greater than 100 microns. Within the about 1.5 x 3.5 pc region mapped, the total mass is 500,000 solar masses and the mean H2 density is 300,000/cu cm, somewhat larger than found in previous investigations. 27 references
Infall toward High-Mass Star-forming Clumps and Cores: The [O I] 63 um Line
Jackson, James
Although the 63 um line has often been used as a diagnostic of photodissociation regions, toward cold, dense infrared dark cloud clumps it is often seen in absorption. We aim to exploit this high optical depth in IRDCs to probe the infall velocities and mass accretion rates of high-mass star-forming clumps and cores. We will use "blue asymmetric" self-absorbed line profiles or redshifted absorption against the protostellar dust continuum to measure infall rates. We will target 8 IRDC clumps in NGC6334 and "Nessie" to probe how the infall rates may change with evolutionary stage.
Vibrational quasi-continuum in unimolecular multiphoton dissociation
Energy Technology Data Exchange (ETDEWEB)
Garcia Fernandez, P.; Gonzalez-Diaz, P.F.
1987-04-01
The vibrational quasi-continuum of the boron trifluoride molecule has been qualitatively studied and the formalism extended to treat N-normal-mode molecules. The anharmonic potential curves for the BF/sub 3/ normal modes have been calculated, and the computed anharmonicity constants have been tested against the fundamental frequencies. The potential curve of the wagging mode has been simulated by an internal rotation of one of the fluoride atoms. The vibrational-energy levels and wave functions have been calculated applying second-order perturbation theory. The quasi-continuum energy levels of BF/sub 3/ have been obtained by means of a method based in forming adequate linear combinations of wave functions belonging to the N-1 modes resulting from removing the i.r.-active mode;the associated energies have been minimized using a constrained minimization procedure. It has been found that the energy pattern of the N-1 vibrational modes possesses an energy density high enough for constituting a vibrational heat bath and, finally, it has been verified that the ''fictitious'' pattern of the active mode is included in the pattern of the N-1 modes.
Cellular Automata in Topology Optimization of Continuum Structures ...
African Journals Online (AJOL)
In this paper, an optimization algorithm based on cellular automata (CA) is developed for topology optimization of continuum structures with shear and flexural behavior. The design domain is divided into small triangle elements and each cell is considered as a finite element. The stress analysis is performed by the Constant ...
International Nuclear Information System (INIS)
Murata, Toru
2003-01-01
The level density parameters are determined to reproduce level structure and/or resonance level spacing of the nucleus. In the statistical compound nucleus model, cross sections to discrete levels decrease abruptly, and continuum level cross section increase strongly above the energy point where the continuum levels switched on. In the present study, for the nucleus which level scheme were well determined up to higher excitation energy more than 10 MeV, discrete level cross sections were calculated and summed up and compared with the cross section to the assumed continuum level corresponding to the discrete levels above several MeV excitation energy. Calculation of the (n, n') cross sections were made with CASTHY code of Moldauer model option using level density parameters determined with former method. It is shown that the assumed continuum cross section is fairly large compared with the summed up cross section. Origins of the discrepancy were discussed. (J.P.N.)
Evaluation the Effectiveness of the US Navy Leadership Continuum Curricula
National Research Council Canada - National Science Library
Duncan-White, Delores
1997-01-01
.... A Leadership Continuum Survey Questionnaire was developed to identified and analyze the student's attitudes concerning the effectiveness of the knowledge and skills taught in the course and how these...
Directory of Open Access Journals (Sweden)
Zhi Yan
2017-01-01
Full Text Available Piezoelectric nanomaterials (PNs are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented.
Yan, Zhi; Jiang, Liying
2017-01-26
Piezoelectric nanomaterials (PNs) are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS) because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented.
Missing links in the root-soil organic matter continuum
Energy Technology Data Exchange (ETDEWEB)
O' Brien, Sarah L. [Argonne National Laboratory (ANL); Iversen, Colleen M [ORNL
2009-01-01
The soil environment remains one of the most complex and poorly understood research frontiers in ecology. Soil organic matter (SOM), which spans a continuum from fresh detritus to highly processed, mineral-associated organic matter, is the foundation of sustainable terrestrial ecosystems. Heterogeneous SOM pools are fueled by inputs from living and dead plants, driven by the activity of micro- and mesofauna, and are shaped by a multitude of abiotic factors. The specialization required to measure unseen processes that occur on a wide range of spatial and temporal scales has led to the partitioning of soil ecology research across several disciplines. In the organized oral session 'Missing links in the root-soil organic matter continuum' at the annual Ecological Society of America meeting in Albuquerque, NM, USA, we joined the call for greater communication and collaboration among ecologists who work at the root-soil interface (e.g. Coleman, 2008). Our goal was to bridge the gap between scientific disciplines and to synthesize disconnected pieces of knowledge from root-centric and soil-centric studies into an integrated understanding of belowground ecosystem processes. We focused this report around three compelling themes that arose from the session: (1) the influence of the rhizosphere on SOM cycling, (2) the role of soil heterotrophs in driving the transformation of root detritus to SOM, and (3) the controlling influence of the soil environment on SOM dynamics. We conclude with a discussion of new approaches for gathering data to bridge gaps in the root-SOM continuum and to inform the next generation of ecosystem models. Although leaf litter has often been considered to be the main source of organic inputs to soil, Ann Russell synthesized a convincing body of work demonstrating that roots, rather than surface residues, control the accumulation of SOM in a variety of ecosystems. Living roots, which are chemically diverse and highly dynamic, also influence a
Numerical Study on Couette Flow in Nanostructured Channel using Molecular-continuum Hybrid Method
Energy Technology Data Exchange (ETDEWEB)
Kim, Youngjin; Jeong, Myunggeun; Ha, Man Yeong [Pusan Nat’l Univ., Busan (Korea, Republic of)
2017-06-15
A molecular-continuum hybrid method was developed to simulate microscale and nanoscale fluids where continuum fluidic cannot be used to predict Couette flow. Molecular dynamics simulation is used near the solid surface where the flow cannot be predicted by continuum fluidic, and Navier-Stokes equations are used in the other regions. Numerical simulation of Couette flow was performed using the hybrid method to investigate the effect of solid-liquid interaction and surface roughness in a nanochannel. It was found that the solid-liquid interaction and surface roughness influence the boundary condition. When the surface energy is low, slippage occurs near the solid surface, and the magnitude of slippage decreases with increase in surface energy. When the surface energy is high, a locking boundary condition is formed. The roughness disturbs slippage near the solid surface and promotes the locking boundary condition.
Photon pairs: Quantum chromodynamics continuum and the Higgs ...
Indian Academy of Sciences (India)
Resummation is needed to obtain reliable predictions in the range of transverse momentum where the cross-section is the largest. Results are compared with data from the Fermilab Tevatron and predictions are made for the large hadron collider. The QCD continuum is shown to have a softer spectrum than the Higgs boson ...
Shine, Keith P.; Campargue, Alain; Mondelain, Didier; McPheat, Robert A.; Ptashnik, Igor V.; Weidmann, Damien
2016-09-01
Spectroscopic catalogues, such as GEISA and HITRAN, do not yet include information on the water vapour continuum that pervades visible, infrared and microwave spectral regions. This is partly because, in some spectral regions, there are rather few laboratory measurements in conditions close to those in the Earth's atmosphere; hence understanding of the characteristics of the continuum absorption is still emerging. This is particularly so in the near-infrared and visible, where there has been renewed interest and activity in recent years. In this paper we present a critical review focusing on recent laboratory measurements in two near-infrared window regions (centred on 4700 and 6300 cm-1) and include reference to the window centred on 2600 cm-1 where more measurements have been reported. The rather few available measurements, have used Fourier transform spectroscopy (FTS), cavity ring down spectroscopy, optical-feedback - cavity enhanced laser spectroscopy and, in very narrow regions, calorimetric interferometry. These systems have different advantages and disadvantages. Fourier Transform Spectroscopy can measure the continuum across both these and neighbouring windows; by contrast, the cavity laser techniques are limited to fewer wavenumbers, but have a much higher inherent sensitivity. The available results present a diverse view of the characteristics of continuum absorption, with differences in continuum strength exceeding a factor of 10 in the cores of these windows. In individual windows, the temperature dependence of the water vapour self-continuum differs significantly in the few sets of measurements that allow an analysis. The available data also indicate that the temperature dependence differs significantly between different near-infrared windows. These pioneering measurements provide an impetus for further measurements. Improvements and/or extensions in existing techniques would aid progress to a full characterisation of the continuum - as an example, we
Continuum model for water movement in an unsaturated fractured rock mass
International Nuclear Information System (INIS)
Peters, R.R.; Klavetter, E.A.
1988-01-01
The movement of fluids in a fractured, porous medium has been the subject of considerable study. This paper presents a continuum model that may be used to evaluate the isothermal movement of water in an unsaturated, fractured, porous medium under slowly changing conditions. This continuum model was developed for use in evaluating the unsaturated zone at the Yucca Mountain site as a potential repository for high-level nuclear waste. Thus its development has been influenced by the conditions thought to be present at Yucca Mountain. A macroscopic approach and a microscopic approach are used to develop a continuum model to evaluate water movement in a fractured rock mass. Both approaches assume that the pressure head in the fractures and the matrix are identical in a plane perpendicular to flow. Both approaches lead to a single-flow equation for a fractured rock mass. The two approaches are used to calculate unsaturated hydrologic properties, i.e., relative permeability and saturation as a function of pressure head, for several types of tuff underlying Yucca Mountain, using the best available hydrologic data for the matrix and the fractures. Rock mass properties calculated by both approaches are similar
Argon plasma jet continuum emission investigation by using different spectroscopic methods
International Nuclear Information System (INIS)
Dgheim, J
2007-01-01
Radiation and temperature fields of the continuum field are determined by using different spectroscopic methods based on the spectral emission of an argon plasma jet. An interferential filter of bandwidth 2.714 nm centred at a wavelength of 633 nm is used to observe only the continuum emission and to eliminate the self-absorption phenomenon. An optical multichannel analyser (OMA) of an MOS detector is used to measure argon plasma jet volumetric emissivity under atmospheric pressure and high temperatures. An emission spectroscopic method is used to measure the Stark broadening of the hydrogen line H β and to determine the electron density. The local thermodynamic equilibrium is established and its limit is stated. The local electron temperature is determined by two methods (the continuum emission relation and the LTE relations), and the total Biberman factor is measured. The results given by the OMA are compared with those given by the imagery method. At a given wavelength, the Biberman factor, which depends on the electron temperature and the electron density, may serve as an indicator to show where the LTE prevails along the argon plasma jet core length
Halász, Gábor J; Csehi, András; Vibók, Ágnes; Cederbaum, Lorenz S
2014-12-26
Previous works have shown that dressing of diatomic molecules by standing or by running laser waves gives rise to the appearance of so-called light-induced conical intersections (LICIs). Because of the strong nonadiabatic couplings, the existence of such LICIs may significantly change the dynamical properties of a molecular system. In our former paper (J. Phys. Chem. A 2013, 117, 8528), the photodissociation dynamics of the D(2)(+) molecule were studied in the LICI framework starting the initial vibrational nuclear wave packet from the superposition of all the vibrational states initially produced by ionizing D(2). The present work complements our previous investigation by letting the initial nuclear wave packets start from different individual vibrational levels of D(2)(+), in particular, above the energy of the LICI. The kinetic energy release spectra, the total dissociation probabilities, and the angular distributions of the photofragments are calculated and discussed. An interesting phenomenon has been found in the spectra of the photofragments. Applying the light-induced adiabatic picture supported by LICI, explanations are given for the unexpected structure of the spectra.
Liu, Shasha; Zhao, Xiuming; Li, Yuanzuo; Zhao, Xiaohong; Chen, Maodu
2009-06-01
Density functional theory (DFT) and time-dependent DFT calculations have been performed to investigate the Raman scattering spectra of metal-molecule complex and metal-molecule-metal junction architectures interconnected with 4-aminothiophenol (PATP) molecule. The simulated profiles of normal Raman scattering (NRS) spectra for the two complexes (Ag2-PATP and PATP-Au2) and the two junctions (Ag2-PATP-Au2 and Au2-PATP-Ag2) are similar to each other, but exhibit obviously different Raman intensities. Due to the lager static polarizabilities of the two junctions, which directly influence the ground state chemical enhancement in NRS spectra, the calculated normal Raman intensities of them are stronger than those of two complexes by the factor of 102. We calculate preresonance Raman scattering (RRS) spectra with incident light at 1064 nm, which is much lower than the S1 electronic transition energy of complexes and junctions. Ag2-PATP-Au2 and Au2-PATP-Ag2 junctions yield higher Raman intensities than those of Ag2-PATP and PATP-Au2 complexes, especially for b2 modes. This effect is mainly attributed to charge transfer (CT) between the metal gap and the PAPT molecule which results in the occurrence of CT resonance enhancement. The calculated pre-RRS spectra strongly depend on the electronic transition state produced by new structures. With excitation at 514.5 nm, the calculated pre-RRS spectra of two complexes and two junctions are stronger than those of with excitation at 1064 nm. A charge difference densities methodology has been used to visually describe chemical enhancement mechanism of RRS spectrum. This methodology aims at visualizing intermolecular CT which provides direct evidence of the Herzberg-Teller mechanism.
Rabi oscillations in the dissociative continuum: Rotation and alignment effects
Granucci, Giovanni; Magnier, Sylvie; Persico, Maurizio
2002-01-01
We have simulated a set of experiments in which Rabi oscillations are induced in bound-free and free-free transitions of a diatomic molecule. Dissociative vibrational states belonging to different electronic terms are involved. We show analytically and confirm computationally that a simple relationship exists between the one-dimensional dynamics of a molecule with fixed orientation with respect to the polarization of the radiation field and the three-dimensional dynamics of a rotating system. It is demonstrated that sufficiently short laser pulses can induce oscillations in the probabilities of two coupled electronic states, and in the yields of the respective dissociation products, as functions of the radiation intensity. As a result of molecular rotation the oscillations are damped but not washed out. The initial thermal distribution on several rotational levels has a negligible effect on the photodissociation yields and other experimentally relevant quantities. Since the molecule undergoes a strong alignment along the polarization axis of the laser field, the ejection of atoms and ions is anisotropic. We have chosen the well known diatomic ion Na2+ as a convenient example.
On the physical origin for the geometric theory of continuum mechanics
International Nuclear Information System (INIS)
Guenther, H.
1984-01-01
It is explained, that the basic notion for a geometric picture of the continuum mechanics is a four dimensional material manifold. The four dimensional mechanical affinity is then the unified field for any defect distribution in the general time dependent case. The minimal number of geometric relations being valid for any continuum is formulated as a set of pure affine relations. The state variables of the theory are additional tensor fields as e.g. deformation defining a metric. A material with a well defined deformation has a Newton-Cartan structure. Only if defects are included into the dynamical determination by additional equilibrium conditions, the theory has a pseudo relativistic structure. (author)
Tests of the discretized-continuum method in three-body dipole strengths
Energy Technology Data Exchange (ETDEWEB)
Pinilla, E.C., E-mail: epinilla@ulb.ac.be [Physique Nucleaire Theorique et Physique Mathematique, C.P. 229, Universite Libre de Bruxelles (ULB), B 1050 Brussels (Belgium); Baye, D., E-mail: dbaye@ulb.ac.be [Physique Quantique, C.P. 165/82, Universite Libre de Bruxelles (ULB), B 1050 Brussels (Belgium); Physique Nucleaire Theorique et Physique Mathematique, C.P. 229, Universite Libre de Bruxelles (ULB), B 1050 Brussels (Belgium); Descouvemont, P., E-mail: pdesc@ulb.ac.be [Physique Nucleaire Theorique et Physique Mathematique, C.P. 229, Universite Libre de Bruxelles (ULB), B 1050 Brussels (Belgium); Horiuchi, W., E-mail: whoriuchi@riken.jp [RIKEN Nishina Center, Wako 351-0918 (Japan); Suzuki, Y., E-mail: suzuki@nt.sc.niigata-u.ac.jp [Department of Physics, Niigata University, Niigata 950-2181 (Japan); RIKEN Nishina Center, Wako 351-0918 (Japan)
2011-08-15
We investigate the {sup 6}He dipole distribution in a three-body {alpha}+n+n model. Two approaches are used to describe the three-body 1{sup -} continuum: the discretized-continuum method, where the scattering wave functions are approximated by square-integrable functions, and the R-matrix formalism, where their asymptotic behaviour is taken into account. We show that some ambiguity exists in the pseudostate method, owing to the smoothing technique, necessary to derive continuous distributions. We show evidence for the important role of the halo structure in the E1 dipole strength. We also address the treatment of Pauli forbidden states in the three-body wave functions.
Directory of Open Access Journals (Sweden)
Hung W. L. David
2002-10-01
Full Text Available Recent developments of situated cognition seem to be incompatible with traditional views of school based-learning where abstract or generalized knowledge is emphasized. In this paper, we are advocating that authenticity (as emphasized by situated cognitivists and generalizibility (as advocated by cognitivists are compatible. From an instructional perspective, it should not be for one or the other, but rather the scaffolding of the dialecticism between authenticity and generalizibility. In this paper, we first discuss the problems relating to the radical view of situated cognition and cognitivist approaches to learning and instruction. We then contend that authenticity and generalizibility are compatible and introduce the notion of the Authenticity-Generalizibility (A-G continuum, where from an instructional perspective, the emphasis should be scaffolding within such a continuum. We hypothesize that learners would have richer and deeper understandings of a subject or domain when they have opportunities to experience the full range of learning activities within the A-G continuum. Finally, we proposed two kinds of IT scaffolds, one to assist student moving towards the authenticity end of the continuum and the other vice versa.
Energy Technology Data Exchange (ETDEWEB)
Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan; McDowell, David L.; Mayeur, Jason R.; Tucker, Garritt J.; Bammann, Douglas J.; Gao, Huajian
2008-09-01
Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscale materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J
Some topics in continuum theory of liquid crystals
Energy Technology Data Exchange (ETDEWEB)
Anderson, Claire
2000-07-01
Since advancements by Ericksen and Leslie in the 1960's, interest in the continuum theory for liquid crystals has escalated. In this thesis, we present the well established continuum theory for nematics, and apply it to the simple Tsvetkov experiment. This analysis is further extended by studying a similar geometric setup which allows additional degrees of freedom. Steady state solutions are studied, and stable/unstable solutions discussed. The bulk of this thesis however, is concerned with the smectic continuum theory. The theory presented allows variable layer spacing, and hence goes beyond the scope of that proposed by Leslie, Stewart and Nakagawa in 1991. With this theory, we initially study a sample of SmA liquid crystal in the bookshelf geometry between two parallel plates, and subject to a strongly anchored pretilt at the boundaries. Weakly anchored solutions are also briefly discussed at the end of this chapter. This work is extended by considering the same problem with a SmC sample, and the distinct differences between the SmA and SmC solutions are highlighted. Symmetric chevron solutions of C1 and C2 type are discussed fully, and energy considerations are made to find the physically realistic configurations. Again, the last part of this chapter is dedicated to solutions subject to weak anchoring. Finally, we take a brief look at Freedericksz transitions when a magnetic field is applied across a cell containing a SmA sample in the bookshelf geometry. The Freedericksz thresholds for two possible deformations are obtained by linearising the appropriate equation, and solving the resulting eigenvalue problem. Numerical calculations finally show where the transitions occur, and confirm the accuracy of the threshold values obtained analytically. (author)
Some topics in continuum theory of liquid crystals
International Nuclear Information System (INIS)
Anderson, Claire
2000-01-01
Since advancements by Ericksen and Leslie in the 1960's, interest in the continuum theory for liquid crystals has escalated. In this thesis, we present the well established continuum theory for nematics, and apply it to the simple Tsvetkov experiment. This analysis is further extended by studying a similar geometric setup which allows additional degrees of freedom. Steady state solutions are studied, and stable/unstable solutions discussed. The bulk of this thesis however, is concerned with the smectic continuum theory. The theory presented allows variable layer spacing, and hence goes beyond the scope of that proposed by Leslie, Stewart and Nakagawa in 1991. With this theory, we initially study a sample of SmA liquid crystal in the bookshelf geometry between two parallel plates, and subject to a strongly anchored pretilt at the boundaries. Weakly anchored solutions are also briefly discussed at the end of this chapter. This work is extended by considering the same problem with a SmC sample, and the distinct differences between the SmA and SmC solutions are highlighted. Symmetric chevron solutions of C1 and C2 type are discussed fully, and energy considerations are made to find the physically realistic configurations. Again, the last part of this chapter is dedicated to solutions subject to weak anchoring. Finally, we take a brief look at Freedericksz transitions when a magnetic field is applied across a cell containing a SmA sample in the bookshelf geometry. The Freedericksz thresholds for two possible deformations are obtained by linearising the appropriate equation, and solving the resulting eigenvalue problem. Numerical calculations finally show where the transitions occur, and confirm the accuracy of the threshold values obtained analytically. (author)
Photon pairs: Quantum chromodynamics continuum and the Higgs ...
Indian Academy of Sciences (India)
is the largest. Results are compared with data from the Fermilab Tevatron and predictions are made for the large hadron collider. The QCD continuum is shown to have a softer spectrum than the Higgs boson signal at the LHC. Keywords. Higgs; photon pairs; quantum chromodynamics. PACS Nos 12.15.Ji; 12.38.Cy; 13.85.
Sensitivity filtering from a continuum mechanics perspective
DEFF Research Database (Denmark)
Sigmund, Ole; Maute, Kurt
2012-01-01
In topology optimization filtering is a popular approach for preventing numerical instabilities. This short note shows that the well-known sensitivity filtering technique, that prevents checkerboards and ensures mesh-independent designs in density-based topology optimization, is equivalent to min...... to minimizing compliance for nonlocal elasticity problems known from continuum mechanics. Hence, the note resolves the long-standing quest for finding an explanation and physical motivation for the sensitivity filter....
The doubt-certainty continuum in psychopathology, lay thinking, and science.
Ron, Omri; Oren, Ela; Dar, Reuven
2016-12-01
This paper presents a theoretical model suggesting that doubt and certainty are two extremes of a continuum. Different people can be located in different locations on this continuum, according to how much they tend to seek refutation vs. confirmation. In both ends of the continuum lay mental disorders, which can be seen as extreme deviations from the usual relatively stable equilibrium between the two thinking processes. One end is defined by excessive skepticism and manifested as obsessive compulsive disorder (OCD), a disorder characterized by incessant doubt. The other end is defined by excessive certainty and lack of doubt, manifested as delusional disorders. Throughout this article, we demonstrate that the differences between normative thoughts and delusional thoughts are relatively vague, and that in general, the human default tendency is to prefer certainty over doubt. This preference is reflected in the confirmation bias as well as in other cognitive constructs such as overconfidence and stereotypes. Recent perspectives on these biases suggest that the human preference for confirmation can be explained in evolutionary terms as adaptive and rational. A parallel view of the scientific enterprise suggests that it also requires a certain equilibrium between skepticism and confirmation. We conclude by discussing the importance of the dialectic relationship between confirmation and refutation in both lay thinking and scientific thought. Copyright © 2015 Elsevier Ltd. All rights reserved.
Universal scaling of permeability through the granular-to-continuum transition
Wadsworth, F. B.; Scheu, B.; Heap, M. J.; Kendrick, J. E.; Vasseur, J.; Lavallée, Y.; Dingwell, D. B.
2015-12-01
Magmas fragment forming a transiently granular material, which can weld back to a fluid-continuum. This process results in dramatic changes in the gas-volume fraction of the material, which impacts the gas permeability. We collate published data for the gas-volume fraction and permeability of volcanic and synthetic materials which have undergone this process to different amounts and note that in all cases there exists a discontinuity in the relationship between these two properties. By discriminating data for which good microstructural information are provided, we use simple scaling arguments to collapse the data in both the still-granular, high gas-volume fraction regime and the fluid-continuum low gas-volume fraction regime such that a universal description can be achieved. We use this to argue for the microstructural meaning of the well-described discontinuity between gas-permeability and gas-volume fraction and to infer the controls on the position of this transition between dominantly granular and dominantly fluid-continuum material descriptions. As a specific application, we consider the transiently granular magma transported through and deposited in fractures in more-coherent magmas, thought to be a primary degassing pathway in high viscosity systems. We propose that our scaling coupled with constitutive laws for densification can provide insights into the longevity of such degassing channels, informing sub-surface pressure modelling at such volcanoes.
Criminal justice continuum for opioid users at risk of overdose.
Brinkley-Rubinstein, Lauren; Zaller, Nickolas; Martino, Sarah; Cloud, David H; McCauley, Erin; Heise, Andrew; Seal, David
2018-02-24
The United States (US) is in the midst of an epidemic of opioid use; however, overdose mortality disproportionately affects certain subgroups. For example, more than half of state prisoners and approximately two-thirds of county jail detainees report issues with substance use. Overdose is one of the leading causes of mortality among individuals released from correctional settings. Even though the criminal justice (CJ) system interacts with a disproportionately high number of individuals at risk of opioid use and overdose, few CJ agencies screen for opioid use disorder (OUD). Even less provide access to medication assisted treatment (e.g. methadone, buprenorphine, and depot naltrexone), which is one of the most effective tools to combat addiction and lower overdose risk. However, there is an opportunity to implement programs across the CJ continuum in collaboration with law enforcement, courts, correctional facilities, community service providers, and probation and parole. In the current paper, we introduce the concept of a "CJ Continuum of Care for Opioid Users at Risk of Overdose", grounded by the Sequential Intercept Model. We present each step on the CJ Continuum and include a general overview and highlight opportunities for: 1) screening for OUD and overdose risk, 2) treatment and/or diversion, and 3) overdose prevention and naloxone provision. Copyright © 2018 Elsevier Ltd. All rights reserved.
Identification of a transcriptional signature for the wound healing continuum.
Peake, Matthew A; Caley, Mathew; Giles, Peter J; Wall, Ivan; Enoch, Stuart; Davies, Lindsay C; Kipling, David; Thomas, David W; Stephens, Phil
2014-01-01
There is a spectrum/continuum of adult human wound healing outcomes ranging from the enhanced (nearly scarless) healing observed in oral mucosa to scarring within skin and the nonhealing of chronic skin wounds. Central to these outcomes is the role of the fibroblast. Global gene expression profiling utilizing microarrays is starting to give insight into the role of such cells during the healing process, but no studies to date have produced a gene signature for this wound healing continuum. Microarray analysis of adult oral mucosal fibroblast (OMF), normal skin fibroblast (NF), and chronic wound fibroblast (CWF) at 0 and 6 hours post-serum stimulation was performed. Genes whose expression increases following serum exposure in the order OMF healing phenotype (the dysfunctional healing group), whereas genes with the converse pattern are potentially associated with a positive/preferential healing phenotype (the enhanced healing group). Sixty-six genes in the enhanced healing group and 38 genes in the dysfunctional healing group were identified. Overrepresentation analysis revealed pathways directly and indirectly associated with wound healing and aging and additional categories associated with differentiation, development, and morphogenesis. Knowledge of this wound healing continuum gene signature may in turn assist in the therapeutic assessment/treatment of a patient's wounds. © 2014 The Authors. Wound Repair and Regeneration published by Wiley Periodicals, Inc. on behalf of Wound Healing Society.
Directory of Open Access Journals (Sweden)
Patricia Lillo
Full Text Available There is increasing evidence that amyotrophic lateral sclerosis (ALS and frontotemporal dementia (FTD lie on a clinical, pathological and genetic continuum with patients of one disease exhibiting features of the other. Nevertheless, to date, the underlying grey matter and white matter changes across the ALS-FTD disease continuum have not been explored. In this study fifty-three participants with ALS (n = 10, ALS-FTD (n = 10 and behavioural variant FTD (bvFTD; n = 15 as well as controls (n = 18, underwent detailed clinical assessment plus structural imaging using voxel-based morphometry (VBM and diffusion tensor imaging (DTI analysis of magnetic resonance brain imaging to examine grey and white matter differences and commonalities across the continuum. Importantly, patient groups were matched for age, education, gender and disease duration. VBM and DTI results showed that changes in the ALS group were confined mainly to the motor cortex and anterior cingulate as well as their underlying white matter tracts. ALS-FTD and bvFTD showed widespread grey matter and white matter changes involving frontal and temporal lobes. Extensive prefrontal cortex changes emerged as a marker for bvFTD compared to other subtypes, while ALS-FTD could be distinguished from ALS by additional temporal lobe grey and white matter changes. Finally, ALS could be mainly distinguished from the other two groups by corticospinal tract degeneration. The present study shows for the first time that FTD and ALS overlap in anterior cingulate, motor cortex and related white matter tract changes across the whole continuum. Nevertheless, frontal and temporal atrophy as well as corticospinal tract degeneration emerged as marker for subtype classification, which will inform future diagnosis and target disease management across the continuum.
Radio continuum interferometry of dark clouds: A search for newly formed HII regions
International Nuclear Information System (INIS)
Gilmore, W.S.
1978-01-01
A search for compact HII regions embedded in dark clouds has been carried out in an effort to study local massive star formation. Approximately 20% of the total area of opaque dark cloud material in the sky with Av greater than or equal to 6 mag was surveyed with the NRAO three-element interferometer at 2695 MHz, and at least 5% more was surveyed with the NRAO 300-foot telescope at 4750 MHz. The regions surveyed include the dark cloud complexes in Perseus, Taurus, Orion, and Ophiuchus, as well as several smaller cloud complexes and individual clouds. No hidden compact HII regions embedded inside dark clouds were detected with certainty in the radio continuum. However, eleven HII regions with associated visible emission and eighteen other possible HII regions were detected. Five infrared sources thought to have the luminosities of early B stars were not detected in the radio continuum. These five sources showed high correlation with the presence of CO self-absorption, CO emission over a wide range of velocities, and type I OH masers, but an absence of coincident visible nebulosity and detectable radio continuum emission. Therefore, it is suggested that they represent an earlier evolutionary stage than those HII region detected in the radio continuum. This first evolutionary state marks the presence of ''pre-emergent'' (with respect to the molecular cloud) cocoon stars. HII regions in the second evolutionary state are marked by the presence of detectable radio continuum emission, i.e., they are stronger than 10 mJy at 2695 MHz. They have associated visible nebulosity, are relatively large, and appear to be located at the edges of molecular clouds. These are designated as ''emergent edge'' HII regions. The fact that many young HII regions are edge HII regions implies that massive stars are born near the edges of clouds, a phenomenon previously suggested by several other investigators
Static and dynamic continuum theory liquid crystals a mathematical introduction
Stewart, Iain W
2004-01-01
Providing a rigorous, clear and accessible text for graduate students regardless of scientific background, this text introduces the basic continuum theory for nematic liquid crystals in equilibria, and details its various simple applications.
Photodissociation dynamics of CO2 at 157.6 nm by photofragment-translational spectroscopy
International Nuclear Information System (INIS)
Stolow, A.; Lee, Y.T.
1993-01-01
The photodissociation of CO 2 at 157 nm was studied by the photofragment-translational spectroscopy technique. Product time-of-flight spectra were recorded and center-of-mass translational energy distributions were determined. Two electronic channels were observed---one forming O( 1 D) and the other O( 3 P). With previously determined anisotropy parameters of β=2 for the O( 3 P) channel and β=0 for the O( 1 D) channel, an electronic branching ratio of 6%±2%O( 3 P) was obtained, consistent with previous results. The translational energy distribution for the CO(v)+O( 3 P) channel was very broad (over 30 kcal/mol) and appeared to peak near CO(v=0). The value of β=2 for the O( 3 P) channel was confirmed by comparing Doppler profiles, derived from our measured translational energy distribution, with previously measured Doppler profiles. This suggests that the O( 3 P) channel arises from a direct transition to an excited triplet state. The O( 1 D) channel had a structured time-of-flight which related to rovibrational distributions of the CO product. The influence of the excitation of the CO 2 (ν 2 ) bending mode was investigated and shown to have a small but not negligible contribution. Based upon a comparison of our data with a previous vacuum-ultraviolet (VUV) laser induced fluorescence study, we obtain as our best estimate of the vibrational branching ratio, CO(v=0)/CO(v=1)=1.9, for the CO(v)+O( 1 D) channel
Continuum Lowering and Fermi-Surface Rising in Strongly Coupled and Degenerate Plasmas
International Nuclear Information System (INIS)
Hu, S. X.
2017-01-01
Here, continuum lowering is a well-known and important physics concept that describes the ionization potential depression (IPD) in plasmas caused by thermal-/pressure-induced ionization of outer-shell electrons. The existing IPD models are often used to characterize plasma conditions and to gauge opacity calculations. Recent precision measurements have revealed deficits in our understanding of continuum lowering in dense hot plasmas. However, these investigations have so far been limited to IPD in strongly coupled but nondegenerate plasmas. Here, we report a first-principles study of the K-edge shifting in both strongly coupled and fully degenerate carbon plasmas, with quantum molecular dynamics (QMD) calculations based on the all-electron density-functional theory (DFT). The resulted K-edge shifting versus plasma density, as a probe to the continuum lowering and the Fermi-surface rising, is found to be significantly different from predictions of existing IPD models. In contrast, a simple model of “single atom in box” (SAIB), developed in this work, accurately predicts K-edge locations as what ab-initio calculations provide.
Shouldering the blame for impingement: the rotator cuff continuum ...
African Journals Online (AJOL)
The aim of this article was to summarise recent research on shoulder impingement and rotator cuff pathology. A continuum model of rotator cuff pathology is described, and the challenges of accurate clinical diagnosis, imaging and best management discussed. Keywords: shoulder impingement syndrome, subacromial ...
Topology Optimization of Continuum Structures with Local Stress Constraints
DEFF Research Database (Denmark)
Duysinx, Pierre; Bendsøe, Martin P
1998-01-01
We introduce an extension of current technologies for topology optimization of continuum structures which allows for treating local stress criteria. We first consider relevant stress criteria for porous composite materials, initially by studying the stress states of the so-called rank 2 layered m...
Photodissociation dynamics of H2O at 111.5 nm by a vacuum ultraviolet free electron laser
Wang, Heilong; Yu, Yong; Chang, Yao; Su, Shu; Yu, Shengrui; Li, Qinming; Tao, Kai; Ding, Hongli; Yang, Jaiyue; Wang, Guanglei; Che, Li; He, Zhigang; Chen, Zhichao; Wang, Xingan; Zhang, Weiqing; Dai, Dongxu; Wu, Guorong; Yuan, Kaijun; Yang, Xueming
2018-03-01
Photodissociation dynamics of H2O via the F ˜ state at 111.5 nm were investigated using the high resolution H-atom Rydberg "tagging" time-of-flight (TOF) technique, in combination with the tunable vacuum ultraviolet free electron laser at the Dalian Coherent Light Source. The product translational energy distributions and angular distributions in both parallel and perpendicular directions were derived from the recorded TOF spectra. Based on these distributions, the quantum state distributions and angular anisotropy parameters of OH (X) and OH (A) products have been determined. For the OH (A) + H channel, highly rotationally excited OH (A) products have been observed. These products are ascribed to a fast direct dissociation on the B ˜ 1A1 state surface after multi-step internal conversions from the initial excited F ˜ state to the B ˜ state. While for the OH (X) + H channel, very highly rotationally excited OH (X) products with moderate vibrational excitation are revealed and attributed to the dissociation via a nonadiabatic pathway through the well-known two conical intersections between the B ˜ -state and the X ˜ -state surfaces.
The Continuum of Literacy in American Indian Communities.
Zepeda, Ofelia
1995-01-01
Describes the O'odham language and oral tradition of the Tohono O'odham Indians of southern Arizona, relating it to the development of O'odham children's English literacy. Oral tradition and school literacy constitute opposite ends of a literacy continuum, in which English literacy is often isolated from and in conflict with O'odham literacy. (10…
Continuum robot arms inspired by cephalopods
Walker, Ian D.; Dawson, Darren M.; Flash, Tamar; Grasso, Frank W.; Hanlon, Roger T.; Hochner, Binyamin; Kier, William M.; Pagano, Christopher C.; Rahn, Christopher D.; Zhang, Qiming M.
2005-05-01
In this paper, we describe our recent results in the development of a new class of soft, continuous backbone ("continuum") robot manipulators. Our work is strongly motivated by the dexterous appendages found in cephalopods, particularly the arms and suckers of octopus, and the arms and tentacles of squid. Our ongoing investigation of these animals reveals interesting and unexpected functional aspects of their structure and behavior. The arrangement and dynamic operation of muscles and connective tissue observed in the arms of a variety of octopus species motivate the underlying design approach for our soft manipulators. These artificial manipulators feature biomimetic actuators, including artificial muscles based on both electro-active polymers (EAP) and pneumatic (McKibben) muscles. They feature a "clean" continuous backbone design, redundant degrees of freedom, and exhibit significant compliance that provides novel operational capacities during environmental interaction and object manipulation. The unusual compliance and redundant degrees of freedom provide strong potential for application to delicate tasks in cluttered and/or unstructured environments. Our aim is to endow these compliant robotic mechanisms with the diverse and dexterous grasping behavior observed in octopuses. To this end, we are conducting fundamental research into the manipulation tactics, sensory biology, and neural control of octopuses. This work in turn leads to novel approaches to motion planning and operator interfaces for the robots. The paper describes the above efforts, along with the results of our development of a series of continuum tentacle-like robots, demonstrating the unique abilities of biologically-inspired design.
Zhu, Huatao; Wang, Rong; Pu, Tao; Fang, Tao; Xiang, Peng; Zheng, Jilin; Chen, Dalei
2015-06-01
In this Letter, the optical stealth transmission carried by super-continuum spectrum optical pulses generated in highly nonlinear fiber is proposed and experimentally demonstrated. In the proposed transmission scheme, super-continuum signals are reshaped in the spectral domain through a wavelength-selective switch and are temporally spread by a chromatic dispersion device to achieve the same noise-like characteristic as the noise in optical networks, so that in both the time domain and the spectral domain, the stealth signals are hidden in public channel. Our experimental results show that compared with existing schemes where stealth channels are carried by amplified spontaneous emission noise, super-continuum signal can increase the transmission performance and robustness.
Continuum Mechanics using Mathematica® Fundamentals, Applications and Scientific Computing
Romano, Antonio; Marasco, Addolorata
2006-01-01
This book's methodological approach familiarizes readers with the mathematical tools required to correctly define and solve problems in continuum mechanics. The book covers essential principles and fundamental applications, and provides a solid basis for a deeper study of more challenging and specialized problems related to elasticity, fluid mechanics, plasticity, materials with memory, piezoelectricity, ferroelectricity, magneto-fluid mechanics, and state changes. Key topics and features: * Concise presentation strikes a balance between fundamentals and applications * Requisite mathematical background carefully collected in two introductory chapters and two appendices * Recent developments highlighted through coverage of more significant applications to areas such as porous media, electromagnetic fields, and phase transitions Continuum Mechanics using Mathematica® is aimed at advanced undergraduates, graduate students, and researchers in applied mathematics, mathematical physics, and engineering. It may ser...
Non-classical continuum mechanics a dictionary
Maugin, Gérard A
2017-01-01
This dictionary offers clear and reliable explanations of over 100 keywords covering the entire field of non-classical continuum mechanics and generalized mechanics, including the theory of elasticity, heat conduction, thermodynamic and electromagnetic continua, as well as applied mathematics. Every entry includes the historical background and the underlying theory, basic equations and typical applications. The reference list for each entry provides a link to the original articles and the most important in-depth theoretical works. Last but not least, every entry is followed by a cross-reference to other related subject entries in the dictionary.
THE IMPORTANCE OF NEBULAR CONTINUUM AND LINE EMISSION IN OBSERVATIONS OF YOUNG MASSIVE STAR CLUSTERS
International Nuclear Information System (INIS)
Reines, Amy E.; Nidever, David L.; Whelan, David G.; Johnson, Kelsey E.
2010-01-01
In this spectroscopic study of infant massive star clusters, we find that continuum emission from ionized gas rivals the stellar luminosity at optical wavelengths. In addition, we find that nebular line emission is significant in many commonly used broadband Hubble Space Telescope (HST) filters including the F814W I-band, the F555W V-band, and the F435W B-band. Two young massive clusters (YMCs) in the nearby starburst galaxy NGC 4449 were targeted for follow-up spectroscopic observations after Reines et al. discovered an F814W I-band excess in their photometric study of radio-detected clusters in the galaxy. The spectra were obtained with the Dual Imaging Spectrograph (DIS) on the 3.5 m Apache Point Observatory (APO) telescope and have a spectral range of ∼3800-9800 A. We supplement these data with HST and Sloan Digital Sky Survey photometry of the clusters. By comparing our data to the Starburst99 and GALEV evolutionary synthesis models, we find that nebular continuum emission competes with the stellar light in our observations and that the relative contribution from the nebular continuum is largest in the U- and I-bands, where the Balmer (3646 A) and Paschen jumps (8207 A) are located. The spectra also exhibit strong line emission including the [S III] λλ9069, 9532 lines in the HST F814W I-band. We find that the combination of nebular continuum and line emission can account for the F814W I-band excess previously found by Reines et al. In an effort to provide a benchmark for estimating the impact of ionized gas emission on photometric observations of young massive stellar populations, we compute the relative contributions of the stellar continuum, nebular continuum, and emission lines to the total observed flux of a 3 Myr old cluster through various HST filter/instrument combinations, including filters in the Wide Field Camera 3. We urge caution when comparing observations of YMCs to evolutionary synthesis models since nebular continuum and line emission can
Imaging the Dynamics of CH2BrI Photodissociation in the Near Ultraviolet Region.
Pan, Changen; Zhang, Yi; Lee, Joseph D; Kidwell, Nathanael M
2018-04-19
The photodissociation dynamics of jet-cooled CH 2 BrI were investigated in the near-ultraviolet (UV) region from 280-310 nm using velocity map imaging. We report the translational and internal energy distributions of the CH 2 Br radical and ground state I ( 2 P 3/2 ) or spin-orbit excited I ( 2 P 1/2 ) fragments determined by velocity map imaging of the ionized iodine fragments following 2 + 1 resonance-enhanced multiphoton ionization of the nascent neutral iodine products. The velocity distributions indicate that most of the available energy is partitioned into the internal energy of the CH 2 Br radical with only modest translational excitation imparted to the cofragments, which is consistent with a simple impulsive model. Furthermore, from extrapolation of the velocity distribution results, the first determination of the C-I bond dissociation energy of CH 2 BrI is presented in this work to be D 0 = 16 790 ± 590 cm -1 . The ion images appear anisotropic, indicative of a prompt dissociation, and the derived anisotropy parameters are consistently positive. Additionally, the angular distributions report on the electronic excited state dynamics, which validate recent works characterizing the electronic states responsible for the first absorption band of CH 2 BrI. In the current work, photolysis of CH 2 BrI on the red edge of the absorption spectrum reveals an additional channel producing I ( 2 P 3/2 ) fragments.
A Concentric Tube Continuum Robot with Piezoelectric Actuation for MRI-Guided Closed-Loop Targeting
Su, Hao; Li, Gang; Rucker, D. Caleb; Webster, Robert J.; Fischer, Gregory S.
2016-01-01
This paper presents the design, modeling and experimental evaluation of a magnetic resonance imaging (MRI)-compatible concentric tube continuum robotic system. This system enables MRI-guided deployment of a precurved and steerable concentric tube continuum mechanism, and is suitable for clinical applications where a curved trajectory is needed. This compact 6 degree-of-freedom (DOF) robotic system is piezoelectrically-actuated, and allows simultaneous robot motion and imaging with no visually...
Near ultraviolet photodissociation spectroscopy of Mn{sup +}(H{sub 2}O) and Mn{sup +}(D{sub 2}O)
Energy Technology Data Exchange (ETDEWEB)
Pearson, Wright L.; Copeland, Christopher; Kocak, Abdulkadir; Sallese, Zachary; Metz, Ricardo B., E-mail: rbmetz@chem.umass.edu [Department of Chemistry, University of Massachusetts Amherst, Amherst, Massachusetts 01003 (United States)
2014-11-28
The electronic spectra of Mn{sup +}(H{sub 2}O) and Mn{sup +}(D{sub 2}O) have been measured from 30 000 to 35 000 cm{sup −1} using photodissociation spectroscopy. Transitions are observed from the {sup 7}A{sub 1} ground state in which the Mn{sup +} is in a 3d{sup 5}4s{sup 1} electronic configuration, to the {sup 7}B{sub 2} (3d{sup 5}4p{sub y}) and {sup 7}B{sub 1} (3d{sup 5}4p{sub x}) excited states with T{sub 0} = 30 210 and 32 274 cm{sup −1}, respectively. Each electronic transition has partially resolved rotational and extensive vibrational structure with an extended progression in the metal−ligand stretch at a frequency of ∼450 cm{sup −1}. There are also progressions in the in-plane bend in the {sup 7}B{sub 2} state, due to vibronic coupling, and the out-of-plane bend in the {sup 7}B{sub 1} state, where the calculation illustrates that this state is slightly non-planar. Electronic structure computations at the CCSD(T)/aug-cc-pVTZ and TD-DFT B3LYP/6-311++G(3df,3pd) level are also used to characterize the ground and excited states, respectively. These calculations predict a ground state Mn-O bond length of 2.18 Å. Analysis of the experimentally observed vibrational intensities reveals that this bond length decreases by 0.15 ± 0.015 Å and 0.14 ± 0.01 Å in the excited states. The behavior is accounted for by the less repulsive p{sub x} and p{sub y} orbitals causing the Mn{sup +} to interact more strongly with water in the excited states than the ground state. The result is a decrease in the Mn-O bond length, along with an increase in the H-O-H angle. The spectra have well resolved K rotational structure. Fitting this structure gives spin-rotation constants ε{sub aa}″ = −3 ± 1 cm{sup −1} for the ground state and ε{sub aa}′ = 0.5 ± 0.5 cm{sup −1} and ε{sub aa}′ = −4.2 ± 0.7 cm{sup −1} for the first and second excited states, respectively, and A′ = 12.8 ± 0.7 cm{sup −1} for the first excited state. Vibrationally mediated
Continuum limit of overlap valence quarks on a twisted mass sea
International Nuclear Information System (INIS)
Cichy, Krzysztof; Herdoiza, Gregorio; Univ. Autonoma de Madrid; Jansen, Karl
2010-12-01
We study a lattice QCD mixed action with overlap valence quarks on two flavours of Wilson maximally twisted mass sea quarks. Employing three different matching conditions to relate both actions to each other, we investigate the continuum limit by using three values of the lattice spacing ranging from a∼0.05 fm to 0.08 fm. A particular emphasis is put on the effect on physical observables of the topological zero modes appearing in the valence overlap operator. We estimate the region of parameter space where the contribution from these zero modes is sufficiently small such that their effects can be safely controlled and a restoration of unitarity of the mixed action in the continuum limit is reached. (orig.)
Thermal quasiparticle correlations and continuum coupling in nuclei far from stability
International Nuclear Information System (INIS)
Dang, Nguyen Dinh; Arima, Akito
2003-01-01
The contributions of quasiparticle correlations and continuum coupling upon the superfluid properties of neutron-rich Ni isotopes are studied within the modified BCS approximation at finite temperature. The effect of quasiparticle correlations is included using a secondary Bogoliubov transformation explicitly involving the quasiparticle occupation numbers at temperature T. The effect of continuum coupling is taken in to account via the finite widths of the single-particle resonant states. It is shown that the combination of these effects washes out the sharp superfluid-normal phase transition given by the standard finite-temperature BCS calculations. It is also found that the two-neutron separation energy for 84 Ni drops to zero at T congruent with 0.8 MeV
Analytic perturbation theory for screened Coulomb potential: full continuum wave function
International Nuclear Information System (INIS)
Bechler, A.; Ennan, Mc J.; Pratt, R.H.
1979-01-01
An analytic perturbation theory developed previously is used to find a continuum screened-Coulomb wave function characterized by definite asymptotic momentum. This wave function satisfies an inhomogeneous partial differential equation which is solved in parabolic coordinates; the solution depends on both parabolic variables. We calculate partial wave projections of this solution and show that we can choose to add a solution of the homogeneous equation such that the partial wave projections become equal to the normalized continuum radial function found previously. However, finding the unique solution with given asymptotic linear momentum will require either using boundary conditions to determine the unique needed solution of the homogeneous equation or equivalently specifying the screened-Coulomb phase-shifts. (author)
Line and continuum spectroscopy as diagnostic tools for gamma ray bursts
International Nuclear Information System (INIS)
Liang, E.P.
1990-12-01
We review the theoretical framework of both line and continuum spectra formation in gamma ray bursts. These include the cyclotron features at 10's of keV, redshifted annihilation features at ∼400 keV, as well as other potentially detectable nuclear transition lines, atomic x-ray lines, proton cyclotron lines and plasma oscillation lines. By combining the parameters derived from line and continuum modeling we can try to reconstruct the location, geometry and physical conditions of the burst emission region, thereby constraining and discriminating the astrophysical models. Hence spectroscopy with current and future generations of detectors should provide powerful diagnostic tools for gamma ray bursters. 48 refs., 10 figs., 4 tabs
Boyina, Gangadhara Rao T.; Rayavarapu, Vijaya Kumar; V. V., Subba Rao
2017-02-01
The prediction of ultimate strength remains the main challenge in the simulation of the mechanical response of composite structures. This paper examines continuum damage model to predict the strength and size effects for deformation and failure response of polymer composite laminates when subjected to complex state of stress. The paper also considers how the overall results of the exercise can be applied in design applications. The continuum damage model is described and the resulting prediction of size effects are compared against the standard benchmark solutions. The stress analysis for strength prediction of rotary wing aircraft cabin door is carried out. The goal of this study is to extend the proposed continuum damage model such that it can be accurately predict the failure around stress concentration regions. The finite element-based continuum damage mechanics model can be applied to the structures and components of arbitrary configurations where analytical solutions could not be developed.
Universality and the approach to the continuum limit in lattice gauge theory
De Divitiis, G M; Guagnelli, M; Lüscher, Martin; Petronzio, Roberto; Sommer, Rainer; Weisz, P; Wolff, U; de Divitiis, G; Frezzotti, R; Guagnelli, M; Luescher, M; Petronzio, R; Sommer, R; Weisz, P; Wolff, U
1995-01-01
The universality of the continuum limit and the applicability of renormalized perturbation theory are tested in the SU(2) lattice gauge theory by computing two different non-perturbatively defined running couplings over a large range of energies. The lattice data (which were generated on the powerful APE computers at Rome II and DESY) are extrapolated to the continuum limit by simulating sequences of lattices with decreasing spacings. Our results confirm the expected universality at all energies to a precision of a few percent. We find, however, that perturbation theory must be used with care when matching different renormalized couplings at high energies.
Continuum radiation emitted from transition metals under ion bombardment
International Nuclear Information System (INIS)
El Boujlaidi, A.; Kaddouri, A.; Ait El Fqih, M.; Hammoum, K.; Aouchiche, H.
2012-01-01
Optical emission of transition metals has been studied during 5 keV Kr + ions bombardment within and without oxygen atmosphere in the colliding chamber. The observed spectra consist of a series of discrete lines superimposed on a broad continuum. Generally, the emission intensity was influenced by the presence of oxygen giving rise to transient effects as well as to an increase in the line intensity. The behaviours of spectral lines were successfully explained in term of electron-transfer process between the excited sputtered atom and the solid surface. In this work, we have focused our study on the continuous radiation emitted during ion bombardment. The experimental results suggest that the continuum emission depends on the nature of metal and very probably related to its electronic structure. The collective deactivation of 3d-shell electrons appears to play a role in the emission of this radiation. The observed enhancement in the presence of oxygen is probably due to a significant contribution of the oxide molecules. (authors)
Global spiral structure of M81 - radio continuum maps
International Nuclear Information System (INIS)
Bash, F.N.; Kaufman, M.; Ohio State Univ., Columbus)
1986-01-01
VLA observations of the radio continuum emission from M81 at 6 and 20 cm are presented and used to check the predictions of density-wave theories. Both thermal and nonthermal radiation from the spiral arms are detected. Most of the bright knots along the radio arms are giant radio H II regions. The nonthermal emission defines spiral arms that are patchy and well-resolved, with a width of 1-2 kpc. The observed nonthermal arms are too broad to agree with the continuum gasdynamical calculations of Roberts (1969), Shu et al. (1972), and Visser (1978, 1980) for a classical density wave model. The observed arm widths appear consistent with the predictions of density-wave models that emphasize the clumpy nature of the ISM. The 20 cm arms appear to spiral outward from a faint inner H I ring, suggesting that the ring is produced by the inner Lindblad resonance. 36 references
Elucidating a Goal-Setting Continuum in Brain Injury Rehabilitation.
Hunt, Anne W; Le Dorze, Guylaine; Trentham, Barry; Polatajko, Helene J; Dawson, Deirdre R
2015-08-01
For individuals with brain injury, active participation in goal setting is associated with better rehabilitation outcomes. However, clinicians report difficulty engaging these clients in goal setting due to perceived or real deficits (e.g., lack of awareness). We conducted a study using grounded theory methods to understand how clinicians from occupational therapy facilitate client engagement and manage challenges inherent in goal setting with this population. Through constant comparative analysis, a goal-setting continuum emerged. At one end of the continuum, therapists embrace client-determined goals and enable clients to decide their own goals. At the other, therapists accept preset organization-determined goals (e.g., "the goal is discharge") and pay little attention to client input. Although all participants aspired to embrace client-determined goal setting, most felt powerless to do so within perceived organizational constraints. Views of advocacy and empowerment help to explain our findings and inform more inclusive practice. © The Author(s) 2015.
The Glymphatic-Lymphatic Continuum: Opportunities for Osteopathic Manipulative Medicine.
Hitscherich, Kyle; Smith, Kyle; Cuoco, Joshua A; Ruvolo, Kathryn E; Mancini, Jayme D; Leheste, Joerg R; Torres, German
2016-03-01
The brain has long been thought to lack a lymphatic drainage system. Recent studies, however, show the presence of a brain-wide paravascular system appropriately named the glymphatic system based on its similarity to the lymphatic system in function and its dependence on astroglial water flux. Besides the clearance of cerebrospinal fluid and interstitial fluid, the glymphatic system also facilitates the clearance of interstitial solutes such as amyloid-β and tau from the brain. As cerebrospinal fluid and interstitial fluid are cleared through the glymphatic system, eventually draining into the lymphatic vessels of the neck, this continuous fluid circuit offers a paradigm shift in osteopathic manipulative medicine. For instance, manipulation of the glymphatic-lymphatic continuum could be used to promote experimental initiatives for nonpharmacologic, noninvasive management of neurologic disorders. In the present review, the authors describe what is known about the glymphatic system and identify several osteopathic experimental strategies rooted in a mechanistic understanding of the glymphatic-lymphatic continuum.
Understanding Nutrient Processing Under Similar Hydrologic Conditions Along a River Continuum
Garayburu-Caruso, V. A.; Mortensen, J.; Van Horn, D. J.; Gonzalez-Pinzon, R.
2015-12-01
Eutrophication is one of the main causes of water impairment across the US. The fate of nutrients in streams is typically described by the dynamic coupling of physical processes and biochemical processes. However, isolating each of these processes and determining its contribution to the whole system is challenging due to the complexity of the physical, chemical and biological domains. We conducted column experiments seeking to understand nutrient processing in shallow sediment-water interactions along representative sites of the Jemez River-Rio Grande continuum (eight stream orders), in New Mexico (USA). For each stream order, we used a set of 6 columns packed with 3 different sediments, i.e., Silica Cone Density Sand ASTM D 1556 (0.075-2.00 mm), gravel (> 2mm) and native sediments from each site. We incubated the sediments for three months and performed tracer experiments in the laboratory under identical flow conditions, seeking to normalize the physical processes along the river continuum. We added a short-term pulse injection of NO3, resazurin and NaCl to each column and determined metabolism and NO3 processing using the Tracer Additions for Spiraling Curve Characterization method (TASCC). Our methods allowed us to study how changes in bacterial communities and sediment composition along the river continuum define nutrient processing.
The information needs of adult cancer survivors across the cancer continuum: A scoping review.
Fletcher, Chloe; Flight, Ingrid; Chapman, Janine; Fennell, Kate; Wilson, Carlene
2017-03-01
To provide an updated synthesis of the literature that investigates the self-reported information needs of people diagnosed with cancer across the cancer continuum. We conducted a scoping review of the literature published from August 2003 to June 2015 and expanded an existing typology summarizing the information needs of people diagnosed with cancer. The majority of the included studies (n=104) focused on questions relevant to the diagnosis/active treatment phase of the cancer continuum (52.9%) and thus the most frequently identified information needs related to this phase (33.4%). Information needs varied across the continuum and the results highlight the importance of recognising this fact. People diagnosed with cancer experience discrete information needs at different points from diagnosis to survival. Much of the research conducted in this area has focused on their information needs during the diagnosis and treatment of cancer, and literature relating to information needs following completion of treatment is sparse. Further research is needed to discern the specific nature of the treatment concerns and identify the information needs that survivors experience during recurrence of cancer, metastasis or changes in diagnosis, and the end of life phase of the cancer continuum. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.
Virioplankton Assemblage Structure in the Lower River and Ocean Continuum of the Amazon
Energy Technology Data Exchange (ETDEWEB)
Silva, Bruno S. de O.; Coutinho, Felipe H.; Gregoracci, Gustavo B.; Leomil, Luciana; de Oliveira, Louisi S.; Fróes, Adriana; Tschoeke, Diogo; Soares, Ana Carolina; Cabral, Anderson S.; Ward, Nicholas D.; Richey, Jeffrey E.; Krusche, Alex V.; Yager, Patricia L.; de Rezende, Carlos Eduardo; Thompson, Cristiane C.; Thompson, Fabiano L.; Imperiale, Michael J.
2017-10-04
The Amazon River watershed and its associated plume comprise a vast continental and oceanic area. The microbial activities along this continuum contribute substantially to global carbon and nutrient cycling, and yet there is a dearth of information on the diversity, abundance, and possible roles of viruses in this globally important river. The aim of this study was to elucidate the diversity and structure of virus assemblages of the Amazon River-ocean continuum. Environmental viral DNA sequences were obtained for 12 locations along the river’s lower reach (
Coupling of nonlocal and local continuum models by the Arlequinapproach
Han, Fei; Lubineau, Gilles
2011-01-01
for the 'fine scale' description in which nonlocal interactions are considered to have non-negligible effects. Classical continuum mechanics only involving local contact forces is introduced for the rest of the structure where these nonlocal effects can
Energy Technology Data Exchange (ETDEWEB)
Zapol, Peter (Argonne National Laboratory, Argonne, IL); Bourg, Ian (Lawrence Berkeley National Laboratories, Berkeley, CA); Criscenti, Louise Jacqueline; Steefel, Carl I. (Lawrence Berkeley National Laboratories, Berkeley, CA); Schultz, Peter Andrew
2011-10-01
This report summarizes research performed for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Subcontinuum and Upscaling Task. The work conducted focused on developing a roadmap to include molecular scale, mechanistic information in continuum-scale models of nuclear waste glass dissolution. This information is derived from molecular-scale modeling efforts that are validated through comparison with experimental data. In addition to developing a master plan to incorporate a subcontinuum mechanistic understanding of glass dissolution into continuum models, methods were developed to generate constitutive dissolution rate expressions from quantum calculations, force field models were selected to generate multicomponent glass structures and gel layers, classical molecular modeling was used to study diffusion through nanopores analogous to those in the interfacial gel layer, and a micro-continuum model (K{mu}C) was developed to study coupled diffusion and reaction at the glass-gel-solution interface.
International Nuclear Information System (INIS)
Kang, Rongjie; Zheng Tianjiang; Guglielmino, Emanuele; Caldwell, Darwin G; Branson, David T
2013-01-01
Biological tentacles, such as octopus arms, have entirely flexible structures and virtually infinite degrees of freedom (DOF) that allow for elongation, shortening and bending at any point along the arm length. The amazing dexterity of biological tentacles has driven the growing implementation of continuum manipulators in robotic systems. This paper presents a pneumatic manipulator inspired by biological continuum structures in some of their key features and functions, such as continuum morphology, intrinsic compliance and stereotyped motions with hyper redundant DOF. The kinematics and dynamics of the manipulator are formulated and identified, and a hierarchical controller taking inspiration from the structure of an octopus nervous system is used to relate desired stereotyped motions to individual actuator inputs. Simulations and experiments are carried out to validate the model and prototype where good agreement was found between the two. (paper)
A bimodal temom model for particle Brownian coagulation in the continuum-slip regime
Directory of Open Access Journals (Sweden)
He Qing
2016-01-01
Full Text Available In this paper, a bimodal Taylor-series expansion moment of method is proposed to deal with Brownian coagulation in the continuum-slip regime, where the non-linear terms in the Cunningham correction factor is approximated by Taylor-series expansion technology. The results show that both the number concentration and volume fraction decrease with time in the smaller mode due to the intra and inter coagulation, and the asymptotic behavior of the larger mode is as same as that in the continuum regime.
Stress, deformation, conservation, and rheology: a survey of key concepts in continuum mechanics
Major, J.J.
2013-01-01
This chapter provides a brief survey of key concepts in continuum mechanics. It focuses on the fundamental physical concepts that underlie derivations of the mathematical formulations of stress, strain, hydraulic head, pore-fluid pressure, and conservation equations. It then shows how stresses are linked to strain and rates of distortion through some special cases of idealized material behaviors. The goal is to equip the reader with a physical understanding of key mathematical formulations that anchor continuum mechanics in order to better understand theoretical studies published in geomorphology.
Continuum limit of discrete Sommerfeld problems on square lattice
Indian Academy of Sciences (India)
BASANT LAL SHARMA
Sommerfeld half-plane; crack; rigid ribbon; continuum limit; Wiener–Hopf; Toeplitz ... case of which, when it approaches zero, is called 'contin- .... etc, denote constants in expressions, inequalities, etc. The ..... The latter holds on a possibly weighted space, depending ..... where jj ء jj refers to the corresponding operator norm.
Effect of γ-softness on continuum gamma-ray spectra
International Nuclear Information System (INIS)
Hamamoto, I.; Onishi, N.
1985-01-01
In the case that a nuclear system has a large fluctuation in the direction of triaxiality, we examine the possible feature expected to appear in the continuum gamma-ray spectra, especially a possibility of the filling in the central valley of the two-dimensional gamma-energy coincidence spectra. (orig.)
Broadening of white-light continuum by filamentation in BK7 glass at its zero-dispersion point
International Nuclear Information System (INIS)
Jiang, Jiaming; Zhong, Yue; Zheng, Yinghui; Zeng, Zhinan; Ge, Xiaochun; Li, Ruxin
2015-01-01
Broadening of white-light continuum is observed by filamentation of near-infrared femtosecond laser pulses with peak power exceeding the megawatt level in BK7 glass with the presence of the zero-dispersion point. The simulated results show that, due to the low dispersion at the zero-dispersion point, the broadening of white-light continuum can be wider and the filament can persist in propagating stably longer distance. - Highlights: • We observed the white-light continuum by filamentation at the zero-dispersion point. • Peak power significantly exceeding the critical value of self-focusing was used. • Wider spectral broadening was obtained around the zero-dispersion point
On the Origin of the Flare Emission in IRIS ’ SJI 2832 Filter:Balmer Continuum or Spectral Lines?
Energy Technology Data Exchange (ETDEWEB)
Kleint, Lucia; Krucker, Säm [University of Applied Sciences and Arts Northwestern Switzerland, Bahnhofstrasse 6, 5210 Windisch (Switzerland); Heinzel, Petr [Astronomical Institute, The Czech Academy of Sciences, Fričova 298, 25165 Ondřejov (Czech Republic)
2017-03-10
Continuum (“white-light,” WL) emission dominates the energetics of flares. Filter-based observations, such as the IRIS SJI 2832 filter, show WL-like brightenings during flares, but it is unclear whether the emission arises from real continuum emission or enhanced spectral lines, possibly turning into emission. The difficulty in filter-based observations, contrary to spectral observations, is to determine which processes contribute to the observed brightening during flares. Here we determine the contribution of the Balmer continuum and the spectral line emission to IRIS ’ SJI 2832 emission by analyzing the appropriate passband in simultaneous IRIS NUV spectra. We find that spectral line emission can contribute up to 100% to the observed slitjaw images (SJI) emission, that the relative contributions usually temporally vary, and that the highest SJI enhancements that are observed are most likely because of the Balmer continuum. We conclude that care should be taken when calling SJI 2832 a continuum filter during flares, because the influence of the lines on the emission can be significant.
On the Origin of the Flare Emission in IRIS ’ SJI 2832 Filter:Balmer Continuum or Spectral Lines?
International Nuclear Information System (INIS)
Kleint, Lucia; Krucker, Säm; Heinzel, Petr
2017-01-01
Continuum (“white-light,” WL) emission dominates the energetics of flares. Filter-based observations, such as the IRIS SJI 2832 filter, show WL-like brightenings during flares, but it is unclear whether the emission arises from real continuum emission or enhanced spectral lines, possibly turning into emission. The difficulty in filter-based observations, contrary to spectral observations, is to determine which processes contribute to the observed brightening during flares. Here we determine the contribution of the Balmer continuum and the spectral line emission to IRIS ’ SJI 2832 emission by analyzing the appropriate passband in simultaneous IRIS NUV spectra. We find that spectral line emission can contribute up to 100% to the observed slitjaw images (SJI) emission, that the relative contributions usually temporally vary, and that the highest SJI enhancements that are observed are most likely because of the Balmer continuum. We conclude that care should be taken when calling SJI 2832 a continuum filter during flares, because the influence of the lines on the emission can be significant.
Derivation of Electromagnetism from the Elastodynamics of the Spacetime Continuum
Directory of Open Access Journals (Sweden)
Millette P. A.
2013-04-01
Full Text Available We derive Electromagnetism from the Elastodynamics of the Spacetime Continuum based on the identification of the theory’s antisymmetric rotation tensor with the elec- tromagnetic field-strength tensor. The theory provides a physical explanation of the electromagnetic potential, which arises from transverse ( shearing displacements of the spacetime continuum, in contrast to mass which arises from longitudinal (dilatational displacements. In addition, the theory provides a physical explanation of the current density four-vector, as the 4-gradient of the volume dilatation of the spacetime con- tinuum. The Lorentz condition is obtained directly from the theory. In addition, we obtain a generalization of Electromagnetism for the situation where a volume force is present, in the general non-macroscopic case. Maxwell’s equations are found to remain unchanged, but the current density has an additional term proportional to the volume force.
McDonald, Mickey
2017-04-01
Over the past several decades, rapid progress has been made toward the accurate characterization and control of atoms, epitomized by the ever-increasing accuracy and precision of optical atomic lattice clocks. Extending this progress to molecules will have exciting implications for chemistry, condensed matter physics, and precision tests of physics beyond the Standard Model. My thesis describes work performed over the past six years to establish the state of the art in manipulation and quantum control of ultracold molecules. We describe a thorough set of measurements characterizing the rovibrational structure of weakly bound 88Sr2 molecules from several different perspectives, including determinations of binding energies; linear, quadratic, and higher order Zeeman shifts; transition strengths between bound states; and lifetimes of narrow subradiant states. Finally, we discuss measurements of photofragment angular distributions produced by photodissociation of molecules in single quantum states, leading to an exploration of quantum-state-resolved ultracold chemistry. The images of exploding photofragments produced in these studies exhibit dramatic interference effects and strongly violate semiclassical predictions, instead requiring a fully quantum mechanical description.
Proposed higher order continuum-based models for an elastic ...
African Journals Online (AJOL)
Three new variants of continuum-based models for an elastic subgrade are proposed. The subgrade is idealized as a homogenous, isotropic elastic layer of thickness H overlying a firm stratum. All components of the stress tensor in the subgrade are taken into account. Reasonable assumptions are made regarding the ...
Asteroid-comet continuum objects in the solar system.
Hsieh, Henry H
2017-07-13
In this review presented at the Royal Society meeting, 'Cometary science after Rosetta', I present an overview of studies of small solar system objects that exhibit properties of both asteroids and comets (with a focus on so-called active asteroids). Sometimes referred to as 'transition objects', these bodies are perhaps more appropriately described as 'continuum objects', to reflect the notion that rather than necessarily representing actual transitional evolutionary states between asteroids and comets, they simply belong to the general population of small solar system bodies that happen to exhibit a continuous range of observational, physical and dynamical properties. Continuum objects are intriguing because they possess many of the properties that make classical comets interesting to study (e.g. relatively primitive compositions, ejection of surface and subsurface material into space where it can be more easily studied, and orbital properties that allow us to sample material from distant parts of the solar system that would otherwise be inaccessible), while allowing us to study regions of the solar system that are not sampled by classical comets.This article is part of the themed issue 'Cometary science after Rosetta'. © 2017 The Author(s).
A Long-Term Space Astrophysics Research Program: The Evolution of the Quasar Continuum
Elvis, M.; Oliversen, Ronald K. (Technical Monitor)
2002-01-01
Four papers have been written. One reports on the major study funded by this grant: a pan-chromatic study of the quasar continuum at redshift 3. Two others make use of the quasar continuum shapes to find the minimum total accretion luminosity of the Universe, and hence the efficiency and spin of supermassive black holes; the second shows that the reemission of absorbed quasar radiation alleviates a major problem with galaxy formation and the FIR background. The last paper recognizes the role quasars may play in the initial formation of dust in the early Universe.
Continuum shell-model with complicated configurations
International Nuclear Information System (INIS)
Barz, H.W.; Hoehn, J.
1977-05-01
The traditional shell model has been combined with the coupled channels method in order to describe resonance reactions. For that purpose the configuration space is divided into two subspaces (Feshbach projection method). Complicated shell-model configurations can be included into the subspace of discrete states which contains the single particle resonance states too. In the subspace of scattering states the equation of motion is solved by using the coupled channels method. Thereby the orthogonality between scattering states and discrete states is ensured. Resonance states are defined with outgoing waves in all channels. By means of simple model calculations the special role of the continuum is investigated. In this connection the energy dependence of the resonance parameters, the isospin mixture via the continuum, threshold effect, as well as the influence of the number of channels taken into account on the widths, positions and dipole strengths of the resonance are discussed. The model is mainly applied to the description of giant resonances excited by the scattering of nucleons and photo-nucleus processes (source term method) found in reactions on light nuclei. The giant resonance observed in the 15 N(p,n) reaction is explained by the inclusion of 2p-2h states. The same is true for the giant resonance in 13 C(J = 1/2, 3/2) as well as for the giant resonance built on the first 3 - state in 16 O. By means of a correlation analysis for the reduced widths amplitudes an access to the doorway conception is found. (author)
A morphing approach to couple state-based peridynamics with classical continuum mechanics
Han, Fei
2016-01-04
A local/nonlocal coupling technique called the morphing method is developed to couple classical continuum mechanics with state-based peridynamics. State-based peridynamics, which enables the description of cracks that appear and propagate spontaneously, is applied to the key domain of a structure, where damage and fracture are considered to have non-negligible effects. In the rest of the structure, classical continuum mechanics is used to reduce computational costs and to simultaneously satisfy solution accuracy and boundary conditions. Both models are glued by the proposed morphing method in the transition region. The morphing method creates a balance between the stiffness tensors of classical continuum mechanics and the weighted coefficients of state-based peridynamics through the equivalent energy density of both models. Linearization of state-based peridynamics is derived by Taylor approximations based on vector operations. The discrete formulation of coupled models is also described. Two-dimensional numerical examples illustrate the validity and accuracy of the proposed technique. It is shown that the morphing method, originally developed for bond-based peridynamics, can be successfully extended to state-based peridynamics through the original developments presented here.
AN APPARENT REDSHIFT DEPENDENCE OF QUASAR CONTINUUM: IMPLICATION FOR COSMIC DUST EXTINCTION?
International Nuclear Information System (INIS)
Xie, Xiaoyi; Shen, Shiyin; Shao, Zhengyi; Yin, Jun
2015-01-01
We investigate the luminosity and redshift dependence of the quasar continuum by means of the composite spectrum using a large non-BAL radio-quiet quasar sample drawn from the Sloan Digital Sky Survey. Quasar continuum slopes in the UV-Opt band are measured at two different wavelength ranges, i.e., α ν12 (1000 ∼ 2000 Å) and α ν24 (2000 ∼ 4000 Å) derived from a power-law fitting. Generally, the UV spectra slope becomes harder (higher α ν ) toward higher bolometric luminosity. On the other hand, when quasars are further grouped into luminosity bins, we find that both α ν12 and α ν24 show significant anti-correlations with redshift (i.e., the quasar continuum becomes redder toward higher redshift). We suggest that the cosmic dust extinction is very likely the cause of this observed α ν − z relation. We build a simple cosmic dust extinction model to quantify the observed reddening tendency and find an effective dust density nσ v ∼ 10 −5 h Mpc −1 at z < 1.5. The other possibilities that could produce such a reddening effect have also been discussed
A morphing approach to couple state-based peridynamics with classical continuum mechanics
Han, Fei; Lubineau, Gilles; Azdoud, Yan; Askari, Abe
2016-01-01
A local/nonlocal coupling technique called the morphing method is developed to couple classical continuum mechanics with state-based peridynamics. State-based peridynamics, which enables the description of cracks that appear and propagate spontaneously, is applied to the key domain of a structure, where damage and fracture are considered to have non-negligible effects. In the rest of the structure, classical continuum mechanics is used to reduce computational costs and to simultaneously satisfy solution accuracy and boundary conditions. Both models are glued by the proposed morphing method in the transition region. The morphing method creates a balance between the stiffness tensors of classical continuum mechanics and the weighted coefficients of state-based peridynamics through the equivalent energy density of both models. Linearization of state-based peridynamics is derived by Taylor approximations based on vector operations. The discrete formulation of coupled models is also described. Two-dimensional numerical examples illustrate the validity and accuracy of the proposed technique. It is shown that the morphing method, originally developed for bond-based peridynamics, can be successfully extended to state-based peridynamics through the original developments presented here.
Continuum limit of overlap valence quarks on a twisted mass sea
Energy Technology Data Exchange (ETDEWEB)
Cichy, Krzysztof [Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Herdoiza, Gregorio [DESY, Zeuthen (Germany). John von Neumann-Institut fuer Computing NIC; Univ. Autonoma de Madrid (Spain). Dept. de Fisica Teorica; Jansen, Karl [DESY, Zeuthen (Germany). John von Neumann-Institut fuer Computing NIC
2010-12-15
We study a lattice QCD mixed action with overlap valence quarks on two flavours of Wilson maximally twisted mass sea quarks. Employing three different matching conditions to relate both actions to each other, we investigate the continuum limit by using three values of the lattice spacing ranging from a{approx}0.05 fm to 0.08 fm. A particular emphasis is put on the effect on physical observables of the topological zero modes appearing in the valence overlap operator. We estimate the region of parameter space where the contribution from these zero modes is sufficiently small such that their effects can be safely controlled and a restoration of unitarity of the mixed action in the continuum limit is reached. (orig.)
Massicotte, Philippe; Asmala, Eero; Stedmon, Colin; Markager, Stiig
2017-12-31
Based on an extensive literature survey containing more than 12,000 paired measurements of dissolved organic carbon (DOC) concentrations and absorption of chromophoric dissolved organic matter (CDOM) distributed over four continents and seven oceans, we described the global distribution and transformation of dissolved organic matter (DOM) along the aquatic continuum across rivers and lakes to oceans. A strong log-linear relationship (R 2 =0.92) between DOC concentration and CDOM absorption at 350nm was observed at a global scale, but was found to be ecosystem-dependent at local and regional scales. Our results reveal that as DOM is transported towards the oceans, the robustness of the observed relation decreases rapidly (R 2 from 0.94 to 0.44) indicating a gradual decoupling between DOC and CDOM. This likely reflects the decreased connectivity between the landscape and DOM along the aquatic continuum. To support this hypothesis, we used the DOC-specific UV absorbance (SUVA) to characterize the reactivity of the DOM pool which decreased from 4.9 to 1.7m 2 × gC -1 along the aquatic continuum. Across the continuum, a piecewise linear regression showed that the observed decrease of SUVA occurred more rapidly in freshwater ecosystems compared to marine water ecosystems, suggesting that the different degradation processes act preferentially on CDOM rather than carbon content. The observed change in the DOM characteristics along the aquatic continuum also suggests that the terrestrial DOM pool is gradually becoming less reactive, which has profound consequences on cycling of organic carbon in aquatic ecosystems. Copyright © 2017 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
West, S.C. (Carnegie Institution of Washington, Observatories, Pasadena, CA (USA) Steward Observatory, Tucson, AZ (USA))
1989-10-01
Linear and circular broadband continuum polarization measurements throughout the 0.35-1.65-micron spectral region were obtained for GrW +70 deg 8247, GD 229, G240-72, G227-35, and LP 790-29. The continuum is found to be characterized by significant Coulomb modification of the Landau-type autoionization thresholds. The spectral characteristics of continuum polarization originating from a centered dipole field distribution are predicted. The magnetobremsstrahlung model can describe several characteristics of the polarization of Grw + 70 deg 8247, suggesting that plasma eigenmodes draw the resultant continuum polarization away from a photoionization edge. 86 refs.
The EU Security Continuum: the interaction between internal and external spheres in
Directory of Open Access Journals (Sweden)
Ana Postolache
2012-08-01
Full Text Available Exceeding the traditional dividing line between internal and external security, the article aims to analyze the coordination link between EU internal and external spheres in combating the "new security threats" and in achieving its security goals. First, I will analyze the rapprochement steps towards the EU security continuum, the instruments and the logic behind the process. Second, I will step beyond the discursive claims and I will analyze the EU operational aspects directed under this umbrella, with a particular focus on organised crime. Last but not least, I will discuss the reflection of EU security continuum on the wider global security arena.
Breakdown of the 1/N expansion in the continuum limit of strong coupling lattice QCD
International Nuclear Information System (INIS)
Bralic, N.; Pontificia Universidade Catolica de Chile, Santiago. Facultad de Fisica); Loewe, M.
1983-08-01
The restoration of lorentz covariance in the continuum limit of strong coupling lattice QCD is shown to require the breakdown of the 1/N expansion. With the leading 1/N appoximation becoming irrelevant in that limit. To leading order in 1/N lorentz convariance can be restored only as an approximate long distance symmetry a non conventional continuum limit with a non hermitian hamiltonian. (Author) [pt