Continuous Vibrational Cooling of Ground State Rb2
Tallant, Jonathan; Marcassa, Luis
2014-05-01
The process of photoassociation generally results in a distribution of vibrational levels in the electronic ground state that is energetically close to the dissociation limit. Several schemes have appeared that aim to transfer the population from the higher vibrational levels to lower ones, especially the ground vibrational state. We demonstrate continuous production of vibrationally cooled Rb2 using optical pumping. The vibrationally cooled molecules are produced in three steps. First, we use a dedicated photoassociation laser to produce molecules in high vibrational levels of the X1Σg+ state. Second, a broadband fiber laser at 1071 nm is used to transfer the molecules to lower vibrational levels via optical pumping through the A1Σu+ state. This process transfers the molecules from vibrational levels around ν ~= 113 to a distribution of levels where ν superluminescent diode near 685 nm that has its frequency spectrum shaped. The resulting vibrational distributions are probed using resonance-enhanced multiphoton ionization with a pulsed dye laser near 670 nm. The results are presented and compared with theoretical simulations. This work was supported by Fapesp and INCT-IQ.
Van der Waals potential and vibrational energy levels of the ground state radon dimer
Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei
2017-08-01
In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10 / C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.
Three-dimensional quantum calculations on the ground and excited state vibrations of ethylene
Groenenboom, Gerrit Cornelis
Three dimensional potential energy surfaces of the ground and excited states of ethylene were calculated at the MRCEPA (Multi Reference Coupled Electronic Pair Approximation) level. The modes included are the torsion, the CC stretch, and the symmetric scissors. Full vibrational calculations were performed using the Lanczos/grid method. The avoided crossing between the V and the R state was dealt with in a diabetic model. The ground state results agree within 3 up to the highest vibrational level known experimentally. The origin and the maximum of the V back arrow N band are calculated at 5.68 and 7.82 eV, respectively, approximately 0.2 eV above the somewhat ambiguous experimental values. This work considerably diminishes the existing gap of approximately 0.5 eV between theory and experiment.
Vexiau, R; Aymar, M; Bouloufa-Maafa, N; Dulieu, O
2015-01-01
We have calculated the isotropic $C\\_6$ coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state $X^1\\Sigma^+$. We consider the ten species made up of $^7$Li, $^{23}$Na, $^{39}$K, $^{87}$Rb and $^{133}$Cs. Following our previous work [M.~Lepers \\textit{et.~al.}, Phys.~Rev.~A \\textbf{88}, 032709 (2013)] we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels, and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it i...
Jaouadi, Amine; Lefebvre, Roland; Atabek, Osman
2017-06-01
A semiclassical model supporting the destructive interference interpretation of zero-width resonances (ZWRs) is extended to wavelengths inducing c--type curve crossing situations in Na2 strong-field dissociation. This opens the possibility to get critical couples of wavelengths λ and field intensities I to reach ZWRs associated with the ground vibrationless level v =0 , that, contrary to other vibrational states (v >0 ), is not attainable for the commonly referred c+-type crossings. The morphology of such ZWRs in the laser (I ,λ ) parameter plane and their usefulness in filtration strategies aiming at molecular cooling down to the ground v =0 state are examined within the frame of an adiabatic transport scheme.
Chenu, Aurélia; Kauffmann, Harald F; Mančal, Tomáš
2013-01-01
A vibronic-exciton model is applied to investigate the mechanism of enhancement of coherent oscillations due to mixing of electronic and nuclear degrees of freedom recently proposed as the origin of the long-lived oscillations in 2D spectra of the FMO complex [Christensson et al. J. Phys. Chem. B 116 (2012) 7449]. We reduce the problem to a model BChl dimer to elucidate the role of resonance coupling, site energies, nuclear mode and energy disorder in the enhancement of vibronic-exciton and ground-state vibrational coherences, and to identify regimes where this enhancement is significant. For a heterodimer representing the two coupled BChls 3 and 4 of the FMO complex, the initial amplitude of the vibronic-exciton and vibrational coherences are enhanced by up to 15 and 5 times, respectively, compared to the vibrational coherences in the isolated monomer. This maximum initial amplitude enhancement occurs when there is a resonance between the electronic energy gap and the frequency of the vibrational mode. The b...
Banerjee, Jayita; Carollo, Ryan; Bellos, Michael; Eyler, Edward E; Gould, Phillip L; Stwalley, William C
2012-01-01
We report continuous direct photoassociative formation of ultracold KRb molecules in the lowest vibrational levels $(v"=0 -10)$ of the electronic ground state $(X ^1\\Sigma^+)$, starting from $^{39}$K and $^{85}$Rb atoms in a magneto-optical trap. The process exploits a newfound resonant coupling between the $2(1), v'=165$ and $4(1), v'=61$ levels, which exhibit an almost equal admixture of the uncoupled eigenstates. The production rate of the $X^1\\Sigma^+$ ($v"$=0) level is estimated to be $5\\times10^3$ molecules/sec.
The separation of vibrational coherence from ground- and excited-electronic states in P3HT film
Song, Yin
2015-06-07
© 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.
Millimetre-wave spectroscopy of HC{sub 4}Cl in ground and excited vibrational states
Energy Technology Data Exchange (ETDEWEB)
Bizzocchi, Luca [Dipartimento di Chimica ' G. Ciamician' , Universita di Bologna, via F. Selmi 2, 40126 Bologna (Italy)], E-mail: luca.bizzocchi@unibo.it; Degli Esposti, Claudio [Dipartimento di Chimica ' G. Ciamician' , Universita di Bologna, via F. Selmi 2, 40126 Bologna (Italy)], E-mail: claudio.degliesposti@unibo.it
2008-05-04
The semi-stable HC{sub 4}Cl molecule has been detected in the pyrolysis products of propyne and carbon tetrachloride mixtures. The rotational spectrum of the most abundant isotopologue HC{sub 4}{sup 35}Cl has been investigated in the millimetre- and sub-millimetre-wave regions for the ground and 12 vibrationally excited states which approximately lie below 630 cm{sup -1}, namely ({nu}{sub 5}{nu}{sub 6}{nu}{sub 7}{nu}{sub 8}{nu}{sub 9})=(10000), (01000), (00100), (00010), (00001), (00020), (00002), (00003), (00004), (00101), (00011) and (00012). Transitions up to J=151 <- 150 were measured for the ground state, allowing for a precise evaluation of the quartic and sextic centrifugal distortion constants D and H. The l-type resonances between the different sublevels of the bending states and the anharmonic resonance which couples the states {nu}{sub 5}=1, {nu}{sub 8}=2 and {nu}{sub 9}=4 have been taken into account in the analysis of the spectra, which yielded precise determinations of the x{sub L(99)}, x{sub L(88)}, x{sub L(89)} and x{sub L(79)} anharmonicity constants and of the {phi}{sub 588} normal coordinate cubic force constant. Extensive measurements have also been performed for the HC{sub 4}{sup 37}Cl isotopologue.
Institute of Scientific and Technical Information of China (English)
WANG Xiao-Yan; DING Shi-Liang
2004-01-01
The vibration states of transition molecule S2O, including both bending and stretching vibrations, are studied in the framework of dynamical symmetry groups U1(4) U2(4). We get all the vibration spectra of S2O by fitting 22 spectra data with 10 parameters. The fitting rms of the Hamiltonian is 2.12 cm-1. With the parameters and Lie algebraic theory, we give the analytical expression of the potential energy surface, which helps us to calculate the dissociation energy and force constants of S2O in the electronic ground state.
Ehlers, Florian; Scholz, Mirko; Schimpfhauser, Jens; Bienert, Jürgen; Oum, Kawon; Lenzer, Thomas
2015-04-28
In recent work, we demonstrated that the S* signal of β-carotene observed in transient pump-supercontinuum probe absorption experiments agrees well with the independently measured steady-state difference absorption spectrum of vibrationally hot ground state molecules S0* in solution, recorded at elevated temperatures (Oum et al., Phys. Chem. Chem. Phys., 2010, 12, 8832). Here, we extend our support for this "vibrationally hot ground state model" of S* by experiments for the three terminally aldehyde-substituted carotenes β-apo-12'-carotenal, β-apo-4'-carotenal and 3',4'-didehydro-β,ψ-caroten-16'-al ("torularhodinaldehyde") which were investigated by ultrafast pump-supercontinuum probe spectroscopy in the range 350-770 nm. The apocarotenals feature an increasing conjugation length, resulting in a systematically shorter S1 lifetime of 192, 4.9 and 1.2 ps, respectively, in the solvent n-hexane. Consequently, for torularhodinaldehyde a large population of highly vibrationally excited molecules in the ground electronic state is quickly generated by internal conversion (IC) from S1 already within the first picosecond of relaxation. As a result, a clear S* signal is visible which exhibits the same spectral characteristics as in the aforementioned study of β-carotene: a pronounced S0 → S2 red-edge absorption and a "finger-type" structure in the S0 → S2 bleach region. The cooling process is described in a simplified way by assuming an initially formed vibrationally very hot species S0** which subsequently decays with a time constant of 3.4 ps to form a still hot S0* species which relaxes with a time constant of 10.5 ps to form S0 molecules at 298 K. β-Apo-4'-carotenal behaves in a quite similar way. Here, a single vibrationally hot S0* species is sufficient in the kinetic modeling procedure. S0* relaxes with a time constant of 12.1 ps to form cold S0. Finally, no S0* features are visible for β-apo-12'-carotenal. In that case, the S1 → S0 IC process is expected
Spectroscopic determination of ground and excited state vibrational potential energy surfaces
Laane, Jaan
Far-infrared spectra, mid-infrared combination band spectra, Raman spectra, and dispersed fluorescence spectra of non-rigid molecules can be used to determine the energies of many of the quantum states of conformationally important vibrations such as out-of-plane ring modes, internal rotations, and molecular inversions in their ground electronic states. Similarly, the fluorescence excitation spectra of jet-cooled molecules, together with electronic absorption spectra, provide the information for determining the vibronic energy levels of electronic excited states. One- or two-dimensional potential energy functions, which govern the conformational changes along the vibrational coordinates, can be determined from these types of data for selected molecules. From these functions the molecular structures, the relative energies between different conformations, the barriers to molecular interconversions, and the forces responsible for the structures can be ascertained. This review describes the experimental and theoretical methodology for carrying out the potential energy determinations and presents a summary of work that has been carried out for both electronic ground and excited states. The results for the out-of-plane ring motions of four-, five-, and six-membered rings will be presented, and results for several molecules with unusual properties will be cited. Potential energy functions for the carbonyl wagging and ring modes for several cyclic ketones in their S1(n,pi*) states will also be discussed. Potential energy surfaces for the three internal rotations, including the one governing the photoisomerization process, will be examined for trans-stilbene in both its S0 and S1(pi,pi*) states. For the bicyclic molecules in the indan family, the two-dimensional potential energy surfaces for the highly interacting ring-puckering and ring-flapping motions in both the S0 and S1(pi,pi*) states have also been determined using all of the spectroscopic methods mentioned above
Panchenko, Yurii N.
2013-06-01
The shifts of the molecular vibrational frequencies when going from the ground electronic state to the lowest excited electronic states pose some problems for the mutual co-assignment of the calculated vibrational frequencies in the different excited states. The trans-{C_2 O_2 F_2} shift of the frequency of the symmetrical ν(C=O) stretching vibration between the S_0 and T_1 is 373 wn. The feasibility of mutual co-assignments of the vibrational frequencies in these electronic states has been demonstrated for trans-{C_2 O_2 F_2}. Matrices analogous to the Duschinsky matrix were used to juxtapose the a_g vibrational frequencies of this molecule calculated at the CASPT2/cc-pVTZ level in the ground S_0 and excited triplet T_1 and singlet S_1 electronic states. The analog of the Duschinsky matrix D was obtained for this molecule using the equation D = (L_{I})^{-1} L_{II} where L_{I} and L_{II} are the matrices of the vibrational modes (normalized atomic displacements) obtained by solving the vibrational problems for the S_0 and T_1 electronic states, respectively. Choosing the dominant elements in columns of the D matrix and permuting these columns to arrange these elements along the diagonal of the transformed matrix D^* makes it possible to establish the correct mutual co-assignments of the calculated a_g vibrational frequencies of the trans-{C_2 O_2 F_2} molecule in the S_0 and T_1 electronic states. The analogous procedure was performed for the trans-{C_2 O_2 F_2} molecule in the T_1 and S_1 excited electronic states. The recent reassignments of the νb{2} and νb{3} calculated vibrational frequencies in the trans-{C_2 O_2 F_2} molecule in the ground state were also obtained for the triplet T_1 and singlet S_1 excited electronic states. The approach set forth in this text makes it possible to juxtapose the calculated vibrational frequencies of the same molecule in the different electronic states and to refine the assignments of these frequencies. This is essential
CSIR Research Space (South Africa)
de Clercq, L
2010-09-01
Full Text Available of a Vibrational Level Within the Electronic Ground State of a Polyatomic Molecule with Ultra Short Pulses Ludwig de Clercq1,2, Lourens Botha1,2, Hermann Uys1, Anton Du Plessis1,2, Erich Rohwer2 1CSIR National Laser Centre, PO BOX 395, Pretoria... al lbl d i I e I e dt ? , )? ? ? ? ?=?= ??h (1) where, , .a b a b? ? ?= ? , (2) ?ab gives the elements of the density matrix, ?a the frequencies...
Gardner, Adrian M.; Tuttle, William Duncan; Whalley, Laura E.; Claydon, Andrew; Carter, Joseph H.; Wright, Timothy G.
2017-06-01
The S_{1} electronic state and ground state of the cation of para-fluorotoluene (pFT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy. Here we focus on the low wavenumber region where a number of "pure" torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group. The similarity in the activity observed in the excitation spectrum of the two molecules is striking. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). J. R. Gascooke, E. A. Virgo, and W. D. Lawrance J. Chem. Phys., 143, 044313 (2015).
Institute of Scientific and Technical Information of China (English)
鄢国森; 先晖; 谢代前
1997-01-01
A 285-pomt multi-reference configuration-interaction involving single and double excitations ( MRS DCI) potential energy surface for the electronic ground state of L12H is determined by using 6-311G (2df,2pd)basis set.A Simons-Parr-Finlan polynomial expansion is used to fit the discrete surface with a x2 of 4.64×106 The equn librium geometry occurs at Rc=0.172 nm and,LiHL1=94.10°.The dissociation energy for reaction I2H(2A)→L12(1∑g)+H(2S) is 243.910 kJ/mol,and that for reaction L12H(2A’)→HL1(1∑) + L1(2S) is 106.445 kl/mol The inversion barrier height is 50.388 kj/mol.The vibrational energy levels are calculated using the discrete variable representation (DVR) method.
Tuttle, William Duncan; Gardner, Adrian M.; Whalley, Laura E.; Wright, Timothy G.
2017-06-01
We have employed resonance-enhanced multiphoton ionisation (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy to investigate the first excited electronic singlet (S_{1}) state and the cationic ground state (D_{0}^{+}) of para-fluorotoluene (pFT) and para-xylene (pXyl). Spectra have been recorded via a large number of selected intermediate levels, to support assignment of the vibration and vibration-torsion levels in these molecules and to investigate possible couplings. The study of levels in this region builds upon previous work on the lower energy regions of pFT and pXyl and here we are interested in how vibration-torsion (vibtor) levels might combine and interact with vibrational ones, and so we consider the possible couplings which occur. Comparisons between the spectra of the two molecules show a close correspondence, and the influence of the second methyl rotor in para-xylene on the onset of intramolecular vibrational redistribution (IVR) in the S_{1} state is a point of interest. This has bearing on future work which will need to consider the role of both more flexible side chains of substituted benzene molecules, and multiple side chains. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). A. M. Gardner, W. D. Tuttle, P. Groner and T. G. Wright, J. Chem. Phys., (2017, in press). W. D. Tuttle, A. M. Gardner, K. O'Regan, W. Malewicz and T. G. Wright, J. Chem. Phys., (2017, in press).
Gardner, Adrian M.; Tuttle, William Duncan; Groner, Peter; Wright, Timothy G.
2017-06-01
Insight gained from examining the "pure" torsional, vibrational and vibration-torsional (vibtor) levels of the single rotor molecules: toluene (methylbenzene) and para-fluorotoluene (pFT), is applied to the double rotor para-xylene (p-dimethylbenzene) molecule . Resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy are employed in order to investigate the S_{1} and ground cationic states of para-xylene. Observed transitions are assigned in the full molecular symmetry group (G_{72}) for the first time. J. R. Gascooke, E. A. Virgo, and W. D. Lawrance, J. Chem. Phys., 143, 044313 (2015). A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). A. M. Gardner, W. D. Tuttle, P. Groner and T. G. Wright, J. Chem. Phys., (2017, in press).
Energy Technology Data Exchange (ETDEWEB)
Delahaye, Thibault, E-mail: thibault.delahaye@univ-reims.fr; Rey, Michaël, E-mail: michael.rey@univ-reims.fr; Tyuterev, Vladimir G. [Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, BP 1039, F-51687, Reims Cedex 2 (France); Nikitin, Andrei [Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics, Russian Academy of Sciences, 634055 Tomsk, Russia and Quamer, State University of Tomsk (Russian Federation); Szalay, Péter G. [Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest (Hungary)
2014-09-14
In this paper we report a new ground state potential energy surface for ethylene (ethene) C{sub 2}H{sub 4} obtained from extended ab initio calculations. The coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ was employed for computations of electronic ground state energies. The fit of the surface included 82 542 nuclear configurations using sixth order expansion in curvilinear symmetry-adapted coordinates involving 2236 parameters. A good convergence for variationally computed vibrational levels of the C{sub 2}H{sub 4} molecule was obtained with a RMS(Obs.–Calc.) deviation of 2.7 cm{sup −1} for fundamental bands centers and 5.9 cm{sup −1} for vibrational bands up to 7800 cm{sup −1}. Large scale vibrational and rotational calculations for {sup 12}C{sub 2}H{sub 4}, {sup 13}C{sub 2}H{sub 4}, and {sup 12}C{sub 2}D{sub 4} isotopologues were performed using this new surface. Energy levels for J = 20 up to 6000 cm{sup −1} are in a good agreement with observations. This represents a considerable improvement with respect to available global predictions of vibrational levels of {sup 13}C{sub 2}H{sub 4} and {sup 12}C{sub 2}D{sub 4} and rovibrational levels of {sup 12}C{sub 2}H{sub 4}.
Vibrational assignment and vibronic interaction for NO3 in the ground electronic state
Hirota, Eizi
2015-04-01
Two important problems exist for the NO3 free radical. One is the frequency of the degenerate N-O stretching mode ν3. It has been assigned to a band at 1492 cm-1 (Assignment I), whereas Stanton calculated it by an ab initio MO method to be around 1000 cm-1 (Assignment II). The second concerns an anomalous ν4 progression, which appeared in the photoelectron spectra of the NO3 anion and was accounted for by Herzberg-Teller (H-T) mechanism, but the interaction parameter derived was too large. The present study critically examines Assignment II and the H-T vibronic interaction model against the results of high-resolution infrared (IR) spectroscopy supplemented with dispersed fluorescence (DF), and concludes Assignment I to be correct and the H-T mechanism to be complemented by a new vibronic interaction model, based upon the observations: (1) Stanton's ab initio MO ν3 appeared in neither IR nor DF spectra, (2) only one A-E type subband was present in the Z-ν4 hot band (Z denotes the upper state of the 1492 cm-1 band), at variance with the two predicted by Assignment II, (3) the ℓ-type doubling constant and the first-order Coriolis coupling constant derived for the Z state by assuming Assignment II were not acceptable, and (4) anomalous features expected from the H-T vibronic interaction model for the ν4 fundamental state were not observed at all. Infrared spectroscopic results on a few 2E‧ degenerate states indicated that the first-order Coriolis coupling constant and the effective spin-orbit interaction constant were closely correlated, suggesting that the unpaired electron azimuthal motion was affected much by that of the degenerate vibrational mode. This sort of vibronic interaction has been well known for linear polyatomic free radicals in 2Σ electronic states with a bending mode singly excited. A similar vibronic interaction should be present also in symmetric-top free radicals, where a degenerate vibrational mode is singly excited. However, few examples
Spectroscopic parameters of phosphine, PH3, in its ground vibrational state
Müller, Holger S P
2013-01-01
The ground state rotational spectrum of PH3 has been reanalyzed taking into account recently published very accurate data from sub-Doppler and conventional absorption spectroscopy measurements as well as previous data from the radio-frequency to the far-infrared regions. These data include Delta(J) = Delta(K) = 0 transitions between A1 and A2 levels, Delta(J) = 0, Delta(K) = 3 transitions as well as regular Delta(J) = 1, Delta(K) = 0 rotational transitions. Hyperfine splitting caused by the 31P and 1H nuclei has been considered, and the treatment of the A1/A2 splitting has been discussed briefly. Improved spectroscopic parameters have been obtained. Interestingly, the most pronounced effects occured for the hyperfine parameters.
Yang, Yonggang
2008-01-01
We investigated the effect of deuteration on the vibrational ground state of the hydrated hydroxide anion using a nine-dimensional quantum dynamical model for the case of J=0. The propagation of the nuclear wave function has been performed with the multi-configuration time-dependent Hartree method which yielded zero-point energies for the normal and fully deuterated species in quantitative agreement with previous diffusion Monte Carlo calculations. According to the zero-point energy the isotopomers having the hydrogen atom in the bridging position are more stable by about 1 kJ/mol as compared to the deuterium case. This holds irrespective of the deuteration state of the two OH groups. We also report the secondary geometric H/D isotope effect on the O--O distance which amounts to an elongation of about 0.005 A for the symmetric isotopomers and 0.009 A in the asymmetric case. Finally, we explore the isotopomer sensitivity of the ground state tunneling splitting due to the torsional motion of the two OH groups.
Zakharenko, Olena; Motiyenko, R. A.; Aviles Moreno, Juan-Ramon; Huet, T. R.
2016-06-01
Methacrolein and methyl vinyl ketone are the two major oxidation products of isoprene emitted in the troposphere. New spectroscopic information is provided with the aim to allow unambiguous identification of these molecules, characterized by a large amplitude motion associated with the methyl top. State-of-the-art millimeter-wave spectroscopy experiments coupled to quantum chemical calculations have been performed. Comprehensive sets of molecular parameters have been obtained. The torsion-rotation-vibration effects will be discussed in detail. From the atmospheric application point of view the results provide precise ground state molecular constants essential as a foundation (by using the Ground State Combination Differences method) for the analysis of high resolution spectrum, recorded from 600 to 1600 wn. The infrared range can be then refitted using appropriate Hamiltonian parameters. The present work is funded by the French ANR through the PIA under contract ANR-11-LABX-0005-01 (Labex CaPPA), by the Regional Council Nord-Pas de Calais and by the European Funds for Regional Economic Development (FEDER).
Goudreau, E. S.; Tokaryk, Dennis W.; Ross, Stephen Cary; Billinghurst, Brant E.
2016-06-01
Despite being an important prototype molecule for intramolecular proton tunnelling, the far-IR spectrum of the internally hydrogen-bonded species malonaldehyde (C_3O_2H_4) is not yet well understood. In the talk I gave at the ISMS meeting in 2015 I discussed the high-resolution spectra we obtained at the Canadian Light Source synchrotron in Saskatoon, Saskatchewan. These spectra include a number of fundamental vibrational bands in the 100-2000 cm-1 region. In our efforts to analyze these bands we have noticed that our ground state combination differences show a large drift (up to an order of magnitude larger than our experimental error) away from those calculated using constants established by Baba et al., particularly in regions of high J (above 30) and low Ka (below 5). An examination of the previous microwave and far-IR studies reveals that this region of J-Ka space was not represented in the lines that Baba et al. used to generate the values for their fitting parameters. By including our own measurements in the fitting, we were able to improve the characterization of the ground state so that it is now consistent with all of the existing data. This characterization now covers a much larger range of J-Ka space and has enabled us to make significant progress in analyzing our far-IR synchrotron spectra. These include an excited vibrational state at 241 cm-1 as well as several states split by the tunnelling effect at higher wavenumber. T. Baba, T. Tanaka, I. Morino, K. M. T. Yamada, K. Tanaka. Detection of the tunneling-rotation transitions of malonaldehyde in the submillimeter-wave region. J. Chem. Phys., 110. 4131-4133 (1999) P. Turner, S. L. Baughcum, S. L. Coy, Z. Smith. Microwave Spectroscopic Study of Malonaldehyde. 4. Vibration-Rotation Interaction in Parent Species. J. Am. Chem. Soc., 106. 2265-2267 (1984) D. W. Firth, K. Beyer, M. A. Dvorak, S. W. Reeve, A. Grushow, K. R. Leopold. Tunable far-infrared spectroscopy of malonaldehyde. J. Chem. Phys., 94. 1812
Laser cooling a neutral atom to the three-dimensional vibrational ground state of an optical tweezer
Kaufman, Adam M; Regal, Cindy A
2012-01-01
We report three-dimensional ground state cooling of a single neutral atom in an optical tweezer. After employing Raman sideband cooling for 33 ms, we measure via sideband spectroscopy a three-dimensional ground state occupation of ~90%. Ground state neutral atoms in optical tweezers will be instrumental in numerous quantum logic applications and for nanophotonic interfaces that require a versatile platform for storing, moving, and manipulating ultracold single neutral atoms.
Ground test for vibration control demonstrator
Meyer, C.; Prodigue, J.; Broux, G.; Cantinaud, O.; Poussot-Vassal, C.
2016-09-01
In the objective of maximizing comfort in Falcon jets, Dassault Aviation is developing an innovative vibration control technology. Vibrations of the structure are measured at several locations and sent to a dedicated high performance vibration control computer. Control laws are implemented in this computer to analyse the vibrations in real time, and then elaborate orders sent to the existing control surfaces to counteract vibrations. After detailing the technology principles, this paper focuses on the vibration control ground demonstration that was performed by Dassault Aviation in May 2015 on Falcon 7X business jet. The goal of this test was to attenuate vibrations resulting from fixed forced excitation delivered by shakers. The ground test demonstrated the capability to implement an efficient closed-loop vibration control with a significant vibration level reduction and validated the vibration control law design methodology. This successful ground test was a prerequisite before the flight test demonstration that is now being prepared. This study has been partly supported by the JTI CleanSky SFWA-ITD.
Paulson, Leif O; Kaminský, Jakub; Anderson, David T; Bouř, Petr; Kubelka, Jan
2010-03-01
Recent experimental studies of trans-formic acid (FA) in solid para-hydrogen (pH2) highlighted the importance of vibrationally averaged dipole moments for the interpretation of the high-resolution infrared (IR) spectra, in particular for the C═O stretch (ν3) mode. In this report, dipole moments for the ν3 ground (v = 0) and excited (v = 1, 2, 3, and 4) anharmonic vibrational states in trans-FA are investigated using two different approaches: a single mode approximation, where the vibrational states are obtained from the solution of the one-dimensional Schrödinger equation for the harmonic normal coordinate, and a limited vibrational configuration interaction (VCI) approximation. Density functional theory (B3LYP, BPW91) and correlated ab initio (MP2 and CCSD(T)) electronic methods were employed with a number of double- and triple-ζ and correlation consistent basis sets. Both single mode and VCI approaches show comparable agreement with experimental data, which is more dependent on the level of theory used. In particular, the BPW91/cc-pVDZ level appears to perform remarkably well. Effects of solvation of FA in solid state Ar and pH2 matrices were simulated at the BPW91/cc-pVDZ level using a conductor-like polarized continuum model (CPCM). The Ar and pH2 solid-state matrices cause quite a substantial increase in the FA dipole moments. Compared to gas-phase calculations, the CPCM model for pH2 better reproduces the experimental FA spectral shifts caused by interaction with traces of ortho-hydrogen (oH2) species in solid pH2. The validity of the single mode approach is tested against the multidimensional VCI results, suggesting that the isolated (noninteracting) mode approximation is valid up to the third vibrationally excited state (v = 3). Finally, the contribution of the ground anharmonic vibrational states of the remaining modes to the resulting ν3 single mode dipole moments is examined and discussed.
Prediction of Ground Vibration from Freight Trains
Jones, C. J. C.; Block, J. R.
1996-05-01
Heavy freight trains emit ground vibration with predominant frequency components in the range 4-30 Hz. If the amplitude is sufficient, this may be felt by lineside residents, giving rise to disturbance and concern over possible damage to their property. In order to establish the influence of parameters of the track and rolling stock and thereby enable the design of a low vibration railway, a theoretical model of both the generation and propagation of vibration is required. The vibration is generated as a combination of the effects of dynamic forces, due to the unevenness of the track, and the effects of the track deformation under successive axle loads. A prediction scheme, which combines these effects, has been produced. A vehicle model is used to predict the dynamic forces at the wheels. This includes the non-linear effects of friction damped suspensions. The loaded track profile is measured by using a track recording coach. The dynamic loading and the effects of the moving axles are combined in a track response model. The predicted track vibration is compared to measurements. The transfer functions from the track to a point in the ground can be calculated by using a coupled track and a three-dimensional layered ground model. The propagation effects of the ground layers are important but the computation of the transfer function from each sleeper, which would be required for a phase coherent summation of the vibration in the ground, would be prohibitive. A compromise summation is used and results are compared with measurements.
Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.
2013-05-01
B3LYP, MP2, CCSD(T), and MP4/MP2 in the 6-311G( d, p), 6-311++G( d, p), cc-pVTZ, aug-cc-pVTZ bases used to calculate the transition frequencies of torsional vibration of trans- and cis-isomers of acrolein in the ground electronic state ( S 0) are analyzed. It is found that for trans-isomers, all methods of calculation except for B3LYP in the cc-pVTZ basis yield good agreement between the calculated and experimental values. It is noted that for the cis-isomer of acrolein, no method of calculation confirms the experimental value of the frequency of torsional vibration (138 cm-1). It is shown that the calculated and experimental values for obertones at 273.0 cm-1 and other transitions of torsional vibration are different for this isomer in particular. However, it is established that in some calculation methods (B3LYP, MP2), the frequency of the torsional vibration of the cis-isomer coincides with another experimental value of this frequency (166.5 cm-1). It is concluded that in analyzing the vibrational structure of the UV spectrum, the calculated and experimental values of its obertone (331.3 cm-1) coincide, along with its frequency. It is also noted that the frequency of torsional vibration for the cis-isomer (166.5 cm-1) can also be found in other experimental works if we change the allocation of torsional transition 18{1/1}.
Molecular vibrational states during a collision
Recamier, Jose A.; Jauregui, Rocio
1995-01-01
Alternative algebraic techniques to approximate a given Hamiltonian by a harmonic oscillator are described both for time-independent and time-dependent systems. We apply them to the description of a one dimensional atom-diatom collision. From the resulting evolution operator, we evaluate vibrational transition probabilities as well as other time-dependent properties. As expected, the ground vibrational state becomes a squeezed state during the collision.
Energy Technology Data Exchange (ETDEWEB)
Hopper, D.G.
1980-05-01
The ground state potential energy surface for the nitrogen dioxide positive ion, NO/sup +//sub 2/X /sup 1/..sigma../sup +//sub g/(..sigma../sup +/,A/sub 1/,A'), has been scanned with a correlated wave function to obtain directly, for the first time, the gas phase equilibrium geometry, force constants, vibrational frequencies, and dipole moment function. The wave function for this scan was constructed from a double-zeta plus polarization one-electron basis with a 12 configuration MCSCF determination of the orbital basis for a full valence /sup 1/..sigma../sup +//sub g/ configuration interaction expansion. The calculated equilibrium bond length is 1.12 A. The vibrational frequencies are computed to be ..nu../sub 1/=1514, ..nu../sub 2/=679, and ..nu../sub 3/=2614 cm/sup -1/ The present ab initio results differ significantly from crystalline spectroscopic studies and are, thus, the best values available for the gas phase vibrational frequencies. The dipole moment function is nonzero at the ..sigma../sup +/, A/sub 1/, and A' geometries included in the potential surface scan, and is obtained here to provide for the future a priori calculation of the infrared band intensities.
Isotope effects of ground and lowest lying vibrational states of H 3 - x D x O2 - complexes
Ansari, Narjes; Meyer, Hans-Dieter
2016-02-01
Isotope effects of the H 3 O2 - anion are investigated. For this, the 24 lowest excited vibrational states of the H 3 - x D x O2 - complexes, with x = 0-3, are computed using two different Hamiltonians, namely, a 7D reduced-dimensionality one with a numerical representation of the kinetic energy operator (KEO) and a 9D full-dimensionality Hamiltonian with an exact analytic KEO. The computations are carried out with the multiconfiguration time-dependent Hartree method. The obtained results show that bridge and terminal H-D exchange cause a variation in energy with or without a rearrangement of states. A clear rearrangement of fundamental modes is observed in bridge H-D exchange of the H 3 O2 - complex, where the frequency of bridge hydrogen stretching (z) is strongly lowered by substitution. The isotope effects show that rotation (ϕ), rocking (u1 + u2), wagging (u1 - u2), and O-O stretch (R) modes are sensitive to terminal H-D exchange, while the bridge-atom bending (x,y) and stretch (z) modes are sensitive to bridge H-D exchange. An influence coefficient, which measures the influence of an excitation of one mode on the various 1D reduced densities, is defined and analyzed in detail. It is shown that the D 3 O2 - complex is more strongly correlated or coupled than the other isotopologues.
CSIR Research Space (South Africa)
De Clercq, L
2010-09-01
Full Text Available molecules for which spectroscopic data for the vibrational modes are available in literature. A density matrix approach was followed. The time evolution of the density matrix is given by the Von Neumann equation [1] , , 1 ( )a l b lN i t i tab lb al... of the individual vibrational levels, and Iab the matrix elements of the interaction Hamiltonian [2] which include the detailed time dependence of the shaped femtosecond pulse. 2. Simulation results A transform limited 150 femtosecond laser pulse with a...
Using periodicity to mitigate ground vibration
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard
2015-01-01
Introduction of trenches, barriers and wave impeding blocks on the transmission path between a source and receiver can be used for mitigation of ground vibration. However, to be effective a barrier must have a depth of about one wavelength of the waves to be mitigated. Hence, while great reductions...... for wave propagation, effectively reducing the transmission of energy in certain frequency bands known as stop bands or band gaps, thus only allowing propagation in the so-called pass bands. In this paper, a stratified ground with two soil layers is considered and two types of periodicity is analysed...... periodicity. Floquet analysis is then performed in order to quantify the number of propagating wave modes as well as modes with low degrees of attenuation. As a conclusion of the analysis, effective mitigation in the low frequency range can be established. The position of stop bands can be manipulated...
Whitfield, J D; Biamonte, J D
2012-01-01
Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground state subspace encoding the truth tables of Boolean formulas. The ground state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground state embeddings found in both classical optimization as well as adiabatic quantum optimization.
Mitigating ground vibration by periodic inclusions and surface structures
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Bucinskas, Paulius; Persson, Peter
2016-01-01
Ground vibration from traffic is a source of nuisance in urbanized areas. Trenches and wave barriers can provide mitigation of vibrations, but single barriers need to have a large depth to be effective-especially in the low-frequency range relevant to traffic-induced vibration. Alternatively, per...
Dynamic tire pressure sensor for measuring ground vibration.
Wang, Qi; McDaniel, James Gregory; Wang, Ming L
2012-11-07
This work presents a convenient and non-contact acoustic sensing approach for measuring ground vibration. This approach, which uses an instantaneous dynamic tire pressure sensor (DTPS), possesses the capability to replace the accelerometer or directional microphone currently being used for inspecting pavement conditions. By measuring dynamic pressure changes inside the tire, ground vibration can be amplified and isolated from environmental noise. In this work, verifications of the DTPS concept of sensing inside the tire have been carried out. In addition, comparisons between a DTPS, ground-mounted accelerometer, and directional microphone are made. A data analysis algorithm has been developed and optimized to reconstruct ground acceleration from DTPS data. Numerical and experimental studies of this DTPS reveal a strong potential for measuring ground vibration caused by a moving vehicle. A calibration of transfer function between dynamic tire pressure change and ground acceleration may be needed for different tire system or for more accurate application.
Oppel, M.; Paramonov, G. K.
1998-06-01
Selective excitation of the vibrational bound and the continuum states, controlled by subpicosecond infrared (IR) laser pulses, is simulated within the Schrödinger wave function formalism for a two-dimensional model of the HONO 2 molecule in the ground electronic state. State-selective excitation of the OH bond is achieved by single optimal laser pulses, with the probability being 97% for the bound states and more than 91% for the resonances. Stable, long-living continuum states are prepared with more than 96% probability by two optimal laser pulses, with the expectation energy of the molecule being well above the dissociation threshold of the ON single bond, and its life-time being at least 100 ps. The length of the ON single bond can be controlled selectively: stretching and contraction by about 45% of its equilibrium length are demonstrated. Laser separation of spatial conformers of HONO 2 in inhomogeneous conditions occurring on an anisotropic surface or created by a direct current (DC) electric field is analysed. The relative yields of target conformers may be very high, ranging from 10 to 10 8, and the absolute yields of up to 40% and more are calculated.
Singlet Ground State Magnetism:
DEFF Research Database (Denmark)
Loidl, A.; Knorr, K.; Kjems, Jørgen;
1979-01-01
The magneticGamma 1 –Gamma 4 exciton of the singlet ground state system TbP has been studied by inelastic neutron scattering above the antiferromagnetic ordering temperature. Considerable dispersion and a pronounced splitting was found in the [100] and [110] directions. Both the band width...... and the splitting increased rapidly as the transition temperature was approached in accordance with the predictions of the RPA-theory. The dispersion is analysed in terms of a phenomenological model using interactions up to the fourth nearest neighbour....
Ground vibration test and flutter analysis of air sampling probe
Ellison, J. F.
1986-01-01
The Dryden Flight Research Facility of NASA Ames Research Center conducted a ground vibration test and a flutter analysis of an air sampling probe that was to be mounted on a Convair 990 airplane. The probe was a steel, wing-shaped structure used to gather atmospheric data. The ground vibration test was conducted to update the finite-element model used in the flutter analysis. The analysis predicted flutter speeds well outside the operating flight envelope of the Convair 990 airplane.
The growth of railway ground vibration problems - A review.
Connolly, David P; Marecki, Grzegorz P; Kouroussis, Georges; Thalassinakis, Ioannis; Woodward, Peter K
2016-10-15
Ground-borne noise and vibration from railway lines can cause human distress/annoyance, and also negatively affect real estate property values. Therefore this paper analyses a collection of technical ground-borne noise and vibration reports, detailing commercial vibration assessments undertaken at 1604 railway track sections, in 9 countries across the world. A wide range of rail projects are considered including light rail, tram lines, underground/tunnelled lines, freight, conventional rail and high speed rail. It documents the rise in ground-borne vibration problems and trends in the prediction industry, with the aim of informing the current research area. Firstly, the reports are analysed chronologically and it is found that railway vibration is a growing global concern, and as such, assessments have become more prevalent. International assessment metrics are benchmarked and it is found that velocity decibels (VdB), vibration dose value (VDV) and peak particle velocity (PPV) are the most commonly used methods of assessment. Furthermore, to predict vibration levels, the physical measurement of frequency transfer functions is preferential to numerical modelling. Results from the reports show that ground vibration limits are exceeded in 44% of assessments, and that ground-borne noise limits are exceeded in 31%. Moreover, mitigation measures were required on approximately 50% of projects, revealing that ground-borne noise and vibration is a widespread railroad engineering challenge. To solve these problems, the most commonly used abatement strategy is a modification of the railtrack structure (active mitigation), rather than the implementation of a more passive solution in the far-field. Copyright © 2015 Elsevier B.V. All rights reserved.
Mitigating ground vibration by periodic inclusions and surface structures
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Bucinskas, Paulius; Persson, Peter
2016-01-01
-dimensional finite-element model. The laboratory model employs soaked mattress foam placed within a box to mimic a finite volume of soil. The dynamic properties of the soaked foam ensure wavelengths representative of ground vibration in small scale. Comparison of the results from the two models leads......Ground vibration from traffic is a source of nuisance in urbanized areas. Trenches and wave barriers can provide mitigation of vibrations, but single barriers need to have a large depth to be effective-especially in the low-frequency range relevant to traffic-induced vibration. Alternatively...... well-defined behavior can be expected for transient loads and finite structures. However, some mitigation may occur. The paper aims at quantifying the mitigation effect of nearly periodic masses placed on the ground surface using two approaches: a small-scale laboratory model and a three...
Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Aslapovskaya, Yu. S.; Tan, T. L.; Sydow, C.; Maul, C.; Bauerecker, S.
2017-01-01
High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600-1700 cm-1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax. / Kamax . equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial "experimental" ro-vibrational energy levels obtained from unblended lines with the rms error drms = 2.6 ×10-4cm-1 . Furthermore, ground state parameters of the 13C12CH4 molecule were improved.
Coherent Control of Vibrational State Population in a Nonpolar Molecule
Picón, A; Jaron-Becker, A; Becker, A; 10.1103/PhysRevA.83.023412
2011-01-01
A coherent control scheme for the population distribution in the vibrational states of nonpolar molecules is proposed. Our theoretical analysis and results of numerical simulations for the interaction of the hydrogen molecular ion in its electronic ground state with an infrared laser pulse reveal a selective two-photon transition between the vibrational states via a coupling with the first excited dissociative state. We demonstrate that for a given temporal intensity profile the population transfer between vibrational states, or a superposition of vibrational states, can be made complete for a single chirped pulse or a train of chirped pulses, which accounts for the accumulated phase difference due to the AC Stark effect. Effects of a spatial intensity (or, focal) averaging are discussed.
Pyka, Jan; Ohashi, Nobukimi
2001-05-01
The amino-wagging tunneling process in hydrazine was treated using the generalized IAM-like method developed by Hougen and Coudert, and Hamiltonian matrix elements were derived for each symmetry species in the combined group-theoretical and IAM-like treatment. Ground state microwave absorption transition data of hydrazine were least squares analyzed again in this treatment to determine axis switching angles for the amino-wagging tunneling process. Copyright 2001 Academic Press.
Energy Technology Data Exchange (ETDEWEB)
Zakharenko, O.; Motiyenko, R. A.; Aviles Moreno, J.-R.; Huet, T. R., E-mail: Therese.Huet@univ-lille1.fr [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR8523 CNRS – Université Lille 1, Bâtiment P5, F- 59655 Villeneuve d’Ascq Cedex (France); Jabri, A. [Laboratoire Inter-universitaire des Systèmes Atmosphériques, CNRS - Universités Paris Est Créteil et Paris Diderot, 61 Avenue du Général de Gaulle, 94010 Créteil Cedex (France); Institute for Physical Chemistry, RWTH Aachen University, Aachen (Germany); Kleiner, I. [Laboratoire Inter-universitaire des Systèmes Atmosphériques, CNRS - Universités Paris Est Créteil et Paris Diderot, 61 Avenue du Général de Gaulle, 94010 Créteil Cedex (France)
2016-01-14
Methacrolein is a major oxidation product of isoprene emitted in the troposphere. New spectroscopy information is provided with the aim to allow unambiguous identification of this complex molecule, characterized by a large amplitude motion associated with the methyl top. State-of-the-art millimeter-wave spectroscopy experiments coupled to quantum chemical calculations have been performed. For the most stable s-trans conformer of atmospheric interest, the torsional and rotational structures have been characterized for the ground state, the first excited methyl torsional state (ν{sub 27}), and the first excited skeletal torsional state (ν{sub 26}). The inverse sequence of A and E tunneling sub-states as well as anomalous A-E splittings observed for the rotational lines of v{sub 26} = 1 state clearly indicates a coupling between methyl torsion and skeletal torsion. A comprehensive set of molecular parameters has been obtained. The far infrared spectrum of Durig et al. [Spectrochim. Acta, Part A 42, 89–103 (1986)] was reproduced, and a Fermi interaction between ν{sub 25} and 2ν{sub 27} was evidenced.
Calculation of ground vibration spectra from heavy military vehicles
Krylov, V. V.; Pickup, S.; McNuff, J.
2010-07-01
The demand for reliable autonomous systems capable to detect and identify heavy military vehicles becomes an important issue for UN peacekeeping forces in the current delicate political climate. A promising method of detection and identification is the one using the information extracted from ground vibration spectra generated by heavy military vehicles, often termed as their seismic signatures. This paper presents the results of the theoretical investigation of ground vibration spectra generated by heavy military vehicles, such as tanks and armed personnel carriers. A simple quarter car model is considered to identify the resulting dynamic forces applied from a vehicle to the ground. Then the obtained analytical expressions for vehicle dynamic forces are used for calculations of generated ground vibrations, predominantly Rayleigh surface waves, using Green's function method. A comparison of the obtained theoretical results with the published experimental data shows that analytical techniques based on the simplified quarter car vehicle model are capable of producing ground vibration spectra of heavy military vehicles that reproduce basic properties of experimental spectra.
Train-induced ground vibrations: modeling and experiments
Ditzel, A.
2003-01-01
Ground vibrations generated by high-speed trains are of great concern because of the possible damage they can cause to buildings or other structures near the track, and the annoyance to the public living in the vicinity of the track. Particularly in soft-soil regions, where the wave speed is compara
Ground vibration tests of a helicopter structure using OMA techniques
Ameri, N.; Grappasonni, C.; Coppotelli, G.; Ewins, D. J.
2013-02-01
This paper is focused on an assessment of the state-of-the-art of operational modal analysis (OMA) methodologies in estimating modal parameters from output responses on helicopter structures. For this purpose, a ground vibration test was performed on a real helicopter airframe. In the following stages, several OMA techniques were applied to the measured data and compared with the results from typical input-output approach. The results presented are part of a more general research activity carried out in the Group of Aeronautical Research and Technology in Europe (GARTEUR) Action Group 19, helicopter technical activity, whose overall objective is the improvement of the structural dynamic finite element models using in-flight test data. The structure considered is a medium-size helicopter, a time-expired Lynx Mk7 (XZ649) airframe. In order to have a comprehensive analysis, the behaviour of both frequency- and time-domain-based OMA techniques are considered for the modal parameter estimates. An accuracy index and the reliability of the OMA methods with respect to the standard EMA procedures, together with the evaluation of the influence of the experimental setup on the estimate of the modal parameters, will be presented in the paper.
Vibrational state distribution and relaxation of vinoxy radicals
Su, Hongmei; Bersohn, Richard
2001-07-01
The vinoxy radical ṡCH2CHO is a product of the reaction of O(3P) atoms with terminal alkenes and can also be made by photodissociation of an alkyl vinyl ether. In either case it is formed in a vibrationally excited state. The nascent radical displays a rich electronic spectrum to the red of its X→B band origin consisting of bands originating from vibrationally excited states. Some transitions, true "hot bands," terminate on the vibrationless B state; others, sequence bands, terminate on vibrationally excited B states. The spectra become unobservably weak at a certain energy. The difference between that energy and the energy of the band origin is roughly the maximum vibrational energy in the radical. This is 5600 cm-1 for the vinoxy produced by photodissociation of ethyl vinyl ether at 193 nm and 3200 cm-1 for the product of the reaction of O(3P) with ethylene, propene, 1-butene, and 1-pentene. There is a remarkable cooling of the vibrations as the hydrocarbon chain lengthens. The average vibrational energy of the vinoxy product of the reaction O(3P) with ethylene, propene, 1-butene, and 1-pentene is 2100, 1800, 1570, and 1180 cm-1, respectively. This cooling implies that the reaction complex lives long enough for internal vibrational relaxation to occur. The average vibrational energy in the reaction-produced vinoxy is small, which implies that there is considerable kinetic energy. The time dependence of the intensity of the hot bands measures the relaxation rates of different energies, some of which are the energies of a single vibrational state. The ground-state population increases monotonically to an asymptote. The population of most states grows with time and then decays. The growth is due to a cascading from upper states. The populations of the highest energy states decay monotonically; the still higher energy states are almost unpopulated. These results prove that the relaxation proceeds stepwise. The magnitude of the step, ˜200-300 cm-1, can be
Attenuation of ground vibrations due to different technical sources
Institute of Scientific and Technical Information of China (English)
L. Auersch; S. Said
2010-01-01
The attenuation of technically induced surface waves is studied theoretically and experimentally. In this paper, nineteen measurements of ground vibrations induced by eight different technical sources including road and rail traffic, vibratory and impulsive construction work or pile driving, explosions, hammer impulses and mass drops are described, and it is shown that the technically induced ground vibrations exhibit a power-law attenuation v ～ r where the exponents q are in the range of 0.5 to 2.0 and depend on the source types. Comparisons performed demonstrate that the measured exponents are considerably higher than theoretically expected. Some potential effects on ground vibration attenuation are theoretically analyzed. The most important effect is due to the material or scattering damping. Each frequency component is attenuated exponentially as exp(-kr), but for a broad-band excitation, the sum of the exponential laws also yields a power law but with a high exponent. Additional effects are discussed, for example the dispersion of the Rayleigh wave due to soil layering, which yields an additional exponent of 0.5 in cases of impulsive loading.
Vibrational states on Pd surfaces
Sklyadneva, I. Yu.; Rusina, G. G.; Chulkov, E. V.
1997-04-01
We present the calculation of vibrational modes and lattice relaxation for the Pd(100), (110) and (111) surfaces. The surface phonon frequencies and polarizations are obtained using embedded-atom potentials. Comparison of the calculated frequency values with available experimental data gives agreement within 0.2 THz.
Influence of foundation type and soil stratification on ground vibration - a parameter study
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Prins, Joeri Nithan; Persson, Kent
2016-01-01
Vibration of machinery and construction work are major sources of noise and vibration pollution in the urban environment. The frequencies dominating the vibration, and the distances over which it spreads via the ground, depend on the source. However, soil stratification and foundation type have...... a significant influence. Thus, in order to achieve fair accuracy in the prediction of ground vibration caused by sources vibrating on a foundation, accurate models of the ground and foundation may be required. However, for assessment of vibration in the design phase, simple models may be preferred. The paper...... provides a parameter study regarding the influence of soil stratification and foundation type on the ground vibration at different distances away from the source. Especially, vibration levels caused by sources placed on surface footings and piles are compared, employing a three-dimensional numerical model...
Pieper, Steven C.; Wiringa, R. B.; Pandharipande, V. R.
1990-01-01
A variational method is used to study the ground state of 16O. Expectation values are computed with a cluster expansion for the noncentral correlations in the wave function; the central correlations and exchanges are treated to all orders by Monte Carlo integration. The expansion has good convergence. Results are reported for the Argonne v14 two-nucleon and Urbana VII three-nucleon potentials.
Co-Assignment of the Molecular Vibrational Frequencies in Different Electronic States
Panchenko, Yurii; Abramenkov, Alexander
2016-06-01
Ultrafast electron diffraction experimental data for the structural parameters of molecules in excited electronic states are comparatively uncommon, hence these parameters are largely unknown. However, because differences between the molecular geometries of excited and ground electronic states cause differences in their experimental vibrational spectra it is important to establish a correspondence between the molecular vibrational frequencies in the ground state and those of the excited state of interest. The correct co-assignment of the experimental vibrational frequencies between two different electronic states of a molecule may be determined by the analog of the Duschinsky matrix D. This matrix D is defined as D = (LI)-1LII where LI and LII are the matrices of the vibrational modes of the two states of the molecule under investigation. They are obtained by solving the vibrational problems in the I and II electronic states, respectively. Choosing the dominant elements in columns of the D matrix and permuting these columns to arrange these elements along the diagonal of the transformed matrix Dast makes it possible to establish the correct co-assignment of the calculated frequencies in the two electronic states. The rows of Dast are for the vibrations in the I electronic state, whereas the columns are for vibrations in the II electronic state. The results obtained may be tested by analogous calculations of Dast for isotopologues. The feasibility of co-assignments of the vibrational frequencies in the ground and T_1 and S_1 excited electronic states are demonstrated for trans-C_2O_2F_2. The analogs of the Duschinsky matrix Dast were used to juxtapose the vibrational frequencies of this molecule calculated at the CASPT2/cc-pVTZ level in the S_0, T_1 and S_1 states. F. Duschinsky, Acta Physicochim. URSS, 7(4), 551-566 (1937). Yu. N. Panchenko, Vibrational spectroscopy, 68, 236-240 (2013).
GROUND VIBRATIONS LEVEL CHARACTERIZATION THROUGH THE GEOLOGICAL STRENGTH INDEX (GSI
Directory of Open Access Journals (Sweden)
Josip Mesec
2017-01-01
Full Text Available This paper analyses the results of trial, construction and quarry blasting, carried out in sediment rock deposits, mainly limestone and dolomite, at diff erent locations in the Republic of Croatia. The division of the three test groups was based on the lithology changes and GSI values of the rock units at these locations. The peak particle velocity measurements with 246 recorded events, was conducted during a long period of six years. Based on the results of seismic measurements, the empirical relationships between peak particle velocity and scaled distance were established for each group. In order to establish a useful relationship between peak particle velocity and scaled distance, simple regression analysis was conducted with the Blastware software program from Instantel. The results of this study can be used to characterize ground vibration levels to the environment, through the geological strength index (GSI.
Influence of foundation type and soil stratification on ground vibration - a parameter study
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard; Prins, Joeri Nithan; Persson, Kent
2016-01-01
Vibration of machinery and construction work are major sources of noise and vibration pollution in the urban environment. The frequencies dominating the vibration, and the distances over which it spreads via the ground, depend on the source. However, soil stratification and foundation type have...
Dopfer, Otto; Patzer, Alexander; Chakraborty, Shamik; Alata, Ivan; Omidyan, Reza; Broquier, Michel; Dedonder, Claude; Jouvet, Christophe
2014-03-28
Vibrational and electronic photodissociation spectra of mass-selected protonated benzaldehyde-(water)n clusters, [BZ-(H2O)n]H(+) with n ≤ 5, are analyzed by quantum chemical calculations to determine the protonation site in the ground electronic state (S0) and ππ(*) excited state (S1) as a function of microhydration. IR spectra of [BZ-(H2O)n]H(+) with n ≤ 2 are consistent with BZH(+)-(H2O)n type structures, in which the excess proton is localized on benzaldehyde. IR spectra of clusters with n ≥ 3 are assigned to structures, in which the excess proton is located on the (H2O)n solvent moiety, BZ-(H2O)nH(+). Quantum chemical calculations at the B3LYP, MP2, and ri-CC2 levels support the conclusion of proton transfer from BZH(+) to the solvent moiety in the S0 state for hydration sizes larger than the critical value nc = 3. The vibronic spectrum of the S1 ← S0 transition (ππ(*)) of the n = 1 cluster is consistent with a cis-BZH(+)-H2O structure in both electronic states. The large blueshift of the S1 origin by 2106 cm(-1) upon hydration with a single H2O ligand indicates that the proton affinity of BZ is substantially increased upon S1 excitation, thus strongly destabilizing the hydrogen bond to the solvent. The adiabatic S1 excitation energy and vibronic structure calculated at the ri-CC2/aug-cc-pVDZ level agrees well with the measured spectrum, supporting the notion of a cis-BZH(+)-H2O geometry. The doubly hydrated species, cis-BZH(+)-(H2O)2, does not absorb in the spectral range of 23 000-27 400 cm(-1), because of the additional large blueshift of the ππ(*) transition upon attachment of the second H2O molecule. Calculations predict roughly linear and large incremental blueshifts for the ππ(*) transition in [BZ-(H2O)n]H(+) as a function of n. In the size range n ≥ 3, the calculations predict a proton transfer from the (H2O)nH(+) solvent back to the BZ solute upon electronic ππ(*) excitation.
Dopfer, Otto; Patzer, Alexander; Chakraborty, Shamik; Alata, Ivan; Omidyan, Reza; Broquier, Michel; Dedonder, Claude; Jouvet, Christophe
2014-03-01
Vibrational and electronic photodissociation spectra of mass-selected protonated benzaldehyde-(water)n clusters, [BZ-(H2O)n]H+ with n ≤ 5, are analyzed by quantum chemical calculations to determine the protonation site in the ground electronic state (S0) and ππ* excited state (S1) as a function of microhydration. IR spectra of [BZ-(H2O)n]H+ with n ≤ 2 are consistent with BZH+-(H2O)n type structures, in which the excess proton is localized on benzaldehyde. IR spectra of clusters with n ≥ 3 are assigned to structures, in which the excess proton is located on the (H2O)n solvent moiety, BZ-(H2O)nH+. Quantum chemical calculations at the B3LYP, MP2, and ri-CC2 levels support the conclusion of proton transfer from BZH+ to the solvent moiety in the S0 state for hydration sizes larger than the critical value nc = 3. The vibronic spectrum of the S1 ← S0 transition (ππ*) of the n = 1 cluster is consistent with a cis-BZH+-H2O structure in both electronic states. The large blueshift of the S1 origin by 2106 cm-1 upon hydration with a single H2O ligand indicates that the proton affinity of BZ is substantially increased upon S1 excitation, thus strongly destabilizing the hydrogen bond to the solvent. The adiabatic S1 excitation energy and vibronic structure calculated at the ri-CC2/aug-cc-pVDZ level agrees well with the measured spectrum, supporting the notion of a cis-BZH+-H2O geometry. The doubly hydrated species, cis-BZH+-(H2O)2, does not absorb in the spectral range of 23 000-27 400 cm-1, because of the additional large blueshift of the ππ* transition upon attachment of the second H2O molecule. Calculations predict roughly linear and large incremental blueshifts for the ππ* transition in [BZ-(H2O)n]H+ as a function of n. In the size range n ≥ 3, the calculations predict a proton transfer from the (H2O)nH+ solvent back to the BZ solute upon electronic ππ* excitation.
Quiet Spike Build-Up Ground Vibration Testing Approach
Spivey, Natalie D.; Herrera, Claudia Y.; Truax, Roger; Pak, Chan-gi; Freund, Donald
2007-01-01
NASA's Dryden Flight Research Center uses a modified F-15B (836) aircraft as a testbed for a variety of flight research:experiments mounted underneath the aircraft fuselage. The F-15B was selected to fly Gulfstream Aerospace Corporation's (GAC)QuietSpike(TM)(QS) project; however, this experiment is very unique and unlike any of the previous testbed experiments flown on the F-15B. It involves the addition of a relatively long quiet spike boom attached to the radar bulkhead of the aircraft. This QS experiment is a stepping stone to airframe structural morphing technologies designed to mitigate sonic born strength of business jets over land. The QS boom is a concept in Which an aircraft's front-end would be extended prior to supersonic acceleration. This morphing would effectively lengthen the aircraft, reducing peak sonic boom amplitude, but is also expected to partition the otherwise strong bow shock into a series of reduced-strength, non-coalescing shocklets. Prior to flying the Quietspike(TM) experiment on the F-15B aircraft several ground vibration tests (GVT) were required in order to understand the QS modal characteristics and coupling effects with the F-15B. However, due to the project's late hardware delivery of the QS and the intense schedule, a "traditional" GVT of the mated F-1513 Quietspike(tm) ready-for-flight configuration would not have left sufficient time available for the finite element model update and flutter analyses before flight testing. Therefore, a "nontraditional" ground vibration testing approach was taken. The objective of the QuietSpike (TM) build-up ground testing approach was to ultimately obtain confidence in the F-15B Quietspike(TM) finite element model (FEM) to be used for the flutter analysis. In order to obtain the F15B QS FEM with reliable foundation stiffness between the QS and the F-15B radar bulkhead as well as QS modal characteristics, several different GVT configurations were performed. EAch of the four GVT's performed had a
Kuo, K. A.; Verbraken, H.; Degrande, G.; Lombaert, G.
2016-07-01
Along with the rapid expansion of urban rail networks comes the need for accurate predictions of railway induced vibration levels at grade and in buildings. Current computational methods for making predictions of railway induced ground vibration rely on simplifying modelling assumptions and require detailed parameter inputs, which lead to high levels of uncertainty. It is possible to mitigate against these issues using a combination of field measurements and state-of-the-art numerical methods, known as a hybrid model. In this paper, two hybrid models are developed, based on the use of separate source and propagation terms that are quantified using in situ measurements or modelling results. These models are implemented using term definitions proposed by the Federal Railroad Administration and assessed using the specific illustration of a surface railway. It is shown that the limitations of numerical and empirical methods can be addressed in a hybrid procedure without compromising prediction accuracy.
Directory of Open Access Journals (Sweden)
Tuan Norhayati Tuan Chik
2013-12-01
Full Text Available Ground borne vibration from passing vehicles could excite the adjacent ground, hence produces a vibration waves that will propagate through layers of soil towards the foundations of any adjacent building. This vibration could affects the structure of the building at some levels and even the low sensitivity equipment are also could be affected as well. The objectives of this study are to perform the structural response on multi storey building subjected to ground vibrations input and to determine the level of vibration at each floor from road traffic on the observed building. The scopes of the study are focused on the groundborne vibrations induced by the passing vehicles and analyse the data by using dynamic software such as ANSYSv14 and MATLAB. The selected building for this study is the Registrar Office building which is located in Universiti Tun Hussein Onn Malaysia (UTHM. The inputs of the vibration were measured by using Laser Doppler Vibrometer (LDV equipment. By conducting the field measurement, a real input of ground borne vibration from the loads of vehicle towards any adjacent building can be obtained. Finally, the vibration level from road traffic on office building can be determined using overseas generic criteria guidelines. The vibration level achieved for this building is at above the ISO level, which is suitable for office building and within acceptable limit.
The Influence of Tractor-Seat Height above the Ground on Lateral Vibrations
Directory of Open Access Journals (Sweden)
Jaime Gomez-Gil
2014-10-01
Full Text Available Farmers experience whole-body vibrations when they drive tractors. Among the various factors that influence the vibrations to which the driver is exposed are terrain roughness, tractor speed, tire type and pressure, rear axle width, and tractor seat height above the ground. In this paper the influence of tractor seat height above the ground on the lateral vibrations to which the tractor driver is exposed is studied by means of a geometrical and an experimental analysis. Both analyses show that: (i lateral vibrations experienced by a tractor driver increase linearly with tractor-seat height above the ground; (ii lateral vibrations to which the tractor driver is exposed can equal or exceed vertical vibrations; (iii in medium-size tractors, a feasible 30 cm reduction in the height of the tractor seat, which represents only 15% of its current height, will reduce the lateral vibrations by around 20%; and (iv vertical vibrations are scarcely influenced by tractor-seat height above the ground. The results suggest that manufacturers could increase the comfort of tractors by lowering tractor-seat height above the ground, which will reduce lateral vibrations.
The influence of tractor-seat height above the ground on lateral vibrations.
Gomez-Gil, Jaime; Gomez-Gil, Francisco Javier; Martin-de-Leon, Rebeca
2014-10-22
Farmers experience whole-body vibrations when they drive tractors. Among the various factors that influence the vibrations to which the driver is exposed are terrain roughness, tractor speed, tire type and pressure, rear axle width, and tractor seat height above the ground. In this paper the influence of tractor seat height above the ground on the lateral vibrations to which the tractor driver is exposed is studied by means of a geometrical and an experimental analysis. Both analyses show that: (i) lateral vibrations experienced by a tractor driver increase linearly with tractor-seat height above the ground; (ii) lateral vibrations to which the tractor driver is exposed can equal or exceed vertical vibrations; (iii) in medium-size tractors, a feasible 30 cm reduction in the height of the tractor seat, which represents only 15% of its current height, will reduce the lateral vibrations by around 20%; and (iv) vertical vibrations are scarcely influenced by tractor-seat height above the ground. The results suggest that manufacturers could increase the comfort of tractors by lowering tractor-seat height above the ground, which will reduce lateral vibrations.
Vibrational memory in quantum localized states
Ajili, Y.; Trabelsi, T.; Denis-Alpizar, O.; Stoecklin, T.; Császár, A. G.; Mogren Al-Mogren, M.; Francisco, J. S.; Hochlaf, M.
2016-05-01
The rovibrational eigenenergy set of molecular systems is a key feature needed to understand and model elementary chemical reactions. A unique class of molecular systems, represented by an 4A'' excited electronic state of the [H,S ,N ] - system comprising several distinct dipole-bound isomers, is found to contain both bent and linear minima separated by relatively small barriers. Full-dimensional nuclear-motion computations performed in Jacobi coordinates using three-dimensional potential energy surfaces describing the stable isomers and the related transition states yield rovibrational eigenstates located both below and above the barriers. The rovibrational wave functions are well localized, regardless of whether the state's energy is below or above the barriers. We also show that the states preserve the memory of the isomeric forms they "originate from," which is signature of a strong vibrational memory effect above isomerization barriers.
Influence of dynamic soil-structure interaction on building response to ground vibration
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard
2014-01-01
Vibration from traffic and pile driving are an increasing problem in densely populated areas. To assess vibration levels in new or existing buildings near construction sites, roads or railways in the design phase, valid models for prediction of wave transmission via the ground and into a building...... must be used. In this regard it is often assumed that a no significant back coupling from the building to the ground exists. Thus, a model with free-field vibrations from the ground provides input at the base of the building model. The aim of the present paper is to examine whether—and to which extent...
Energy Technology Data Exchange (ETDEWEB)
Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de; Patzer, Alexander; Chakraborty, Shamik [Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstrasse 36, 10623 Berlin (Germany); Alata, Ivan; Omidyan, Reza; Broquier, Michel [Institut des Sciences Moleculaires d’Orsay, UMR-CNRS 8214, and Centre Laser de l’Université Paris Sud/LUMAT FR 2764, Batiment 106, l’Université Paris Sud 11, 91405 Orsay Cedex (France); Dedonder, Claude; Jouvet, Christophe [Physique des Interactions Ioniques et Moléculaires, UMR-CNRS 7345 Aix Marseille Université, Avenue Escadrille Normandie-Niémen, 13397 Marseille Cedex 20 (France)
2014-03-28
Vibrational and electronic photodissociation spectra of mass-selected protonated benzaldehyde-(water){sub n} clusters, [BZ-(H{sub 2}O){sub n}]H{sup +} with n ≤ 5, are analyzed by quantum chemical calculations to determine the protonation site in the ground electronic state (S{sub 0}) and ππ{sup *} excited state (S{sub 1}) as a function of microhydration. IR spectra of [BZ-(H{sub 2}O){sub n}]H{sup +} with n ≤ 2 are consistent with BZH{sup +}-(H{sub 2}O){sub n} type structures, in which the excess proton is localized on benzaldehyde. IR spectra of clusters with n ≥ 3 are assigned to structures, in which the excess proton is located on the (H{sub 2}O){sub n} solvent moiety, BZ-(H{sub 2}O){sub n}H{sup +}. Quantum chemical calculations at the B3LYP, MP2, and ri-CC2 levels support the conclusion of proton transfer from BZH{sup +} to the solvent moiety in the S{sub 0} state for hydration sizes larger than the critical value n{sub c} = 3. The vibronic spectrum of the S{sub 1} ← S{sub 0} transition (ππ{sup *}) of the n = 1 cluster is consistent with a cis-BZH{sup +}-H{sub 2}O structure in both electronic states. The large blueshift of the S{sub 1} origin by 2106 cm{sup −1} upon hydration with a single H{sub 2}O ligand indicates that the proton affinity of BZ is substantially increased upon S{sub 1} excitation, thus strongly destabilizing the hydrogen bond to the solvent. The adiabatic S{sub 1} excitation energy and vibronic structure calculated at the ri-CC2/aug-cc-pVDZ level agrees well with the measured spectrum, supporting the notion of a cis-BZH{sup +}-H{sub 2}O geometry. The doubly hydrated species, cis-BZH{sup +}-(H{sub 2}O){sub 2}, does not absorb in the spectral range of 23 000–27 400 cm{sup −1}, because of the additional large blueshift of the ππ{sup *} transition upon attachment of the second H{sub 2}O molecule. Calculations predict roughly linear and large incremental blueshifts for the ππ{sup *} transition in [BZ-(H{sub 2}O){sub n
Numerical analysis using state space method for vibration control of ...
African Journals Online (AJOL)
ATHARVA
In passenger cars the vibrations developed at the ground are transmitted to the .... x is the system displacement vector; ̇ and ̈ are the system velocity and acceleration vectors, .... The variation of peak displacement quantity of car seat with.
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
The non-axisymmetrical vibration of elastic circular plate resting on a layered transversely isotropic saturated ground was studied. First, the 3-d dynamic equations in cylindrical coordinate for transversely isotropic saturated soils were transformed into a group of governing differential equations with 1-order by the technique of Fourier expanding with respect to azimuth, and the state equation is established by Hankel integral transform method, furthermore the transfer matrixes within layered media are derived based on the solutions of the state equation. Secondly, by the transfer matrixes, the general solutions of dynamic response for layered transversely isotropic saturated ground excited by an arbitrary harmonic force were established under the boundary conditions,drainage conditions on the surface of ground as well as the contact conditions. Thirdly, the problem was led to a pair of dual integral equations describing the mixed boundaryvalue problem which can be reduced to the Fredholm integral equations of the second kind solved by numerical procedure easily. At the end of this paper, a numerical result concerning vertical and radical displacements both the surface of saturated ground and plate is evaluated.
Slow Intramolecular Vibrational Relaxation Leads to Long-Lived Excited-State Wavepackets.
Rafiq, Shahnawaz; Scholes, Gregory D
2016-09-01
Broadband optical pump and compressed white light continuum probe were used to measure the transient excited-state absorption, ground-state bleach, and stimulated emission signals of cresyl violet solution in methanol. Amplitude oscillations caused by wavepacket motion in the ground and excited electronic states were analyzed. It was found that vibrational coherences in the excited state persist for more than the experimental waiting time window of 6 ps, and the strongest mode had a dephasing time constant of 2.4 ps. We hypothesize the dephasing of the wavepacket in the excited state is predominantly caused by intramolecular vibrational relaxation (IVR). Slow IVR indicates weak mode-mode coupling and therefore weak anharmonicity of the potential of this vibration. Thus, the initially prepared vibrational wavepacket in the excited state is not significantly perturbed by nonadiabatic coupling to other electronic states, and hence the diabatic and adiabatic representations of the system are essentially identical within the Born-Oppenheimer approximation. The wavepacket therefore evolves with time in an almost harmonic potential, slowly dephased by IVR and the pure vibrational decoherence. The consistency in the position of node (phase change in the wavepacket) in the excited-state absorption and stimulated emission signals without undergoing any frequency shift until the wavepacket is completely dephased conforms to the absence of any reactive internal conversion.
Railway cuttings and embankments: Experimental and numerical studies of ground vibration.
Kouroussis, Georges; Connolly, David P; Olivier, Bryan; Laghrouche, Omar; Costa, Pedro Alves
2016-07-01
Railway track support conditions affect ground-borne vibration generation and propagation. Therefore this paper presents a combined experimental and numerical study into high speed rail vibrations for tracks on three types of support: a cutting, an embankment and an at grade section. Firstly, an experimental campaign is undertaken where vibrations and in-situ soil properties are measured at three Belgian rail sites. A finite element model is then developed to recreate the complex ground topology at each site. A validation is performed and it is found that although the at-grade and embankment cases show a correlation with the experimental results, the cutting case is more challenging to replicate. Despite this, each site is then analysed to determine the effect of earthworks profile on ground vibrations, with both the near and far fields being investigated. It is found that different earthwork profiles generate strongly differing ground-borne vibration characteristics, with the embankment profile generating lower vibration levels in comparison to the cutting and at-grade cases. Therefore it is concluded that it is important to consider earthwork profiles when undertaking vibration assessments.
Reduction in ground vibrations by the use of wave obstacles
Persson, Peter
2013-01-01
The increasing size of the population results in that unbuilt spaces needing to be used for the construction of new facilities. Large construction sites can generate disturbing vibrations to nearby buildings, both while construction is underway and afterwards through the operation of subways, for example. The establishment of new areas close to, for example, motorways and railways increases the risk of disturbing vibrations being propagated to the new buildings. It is important that efficient...
Fedorov, Dmitry A; Derevianko, Andrei; Varganov, Sergey A
2014-05-14
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X(1)Σ(+) electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtaining the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm(-1) for LiNa and by no more than 114 cm(-1) for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm(-1), and the discrepancies for the anharmonic correction are less than 0.1 cm(-1). We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.
The thermo-vibrational convection in microgravity condition. Ground-based modelling.
Zyuzgin, A. V.; Putin, G. F.; Harisov, A. F.
In 1995-2000 at orbital station "Mir" has been carried out the series of experiments with the equipment "Alice" for the studying regimes of heat transfer in the supercritical fluids under influence inertial microaccelerations. The experiments have found out existence of the thermo-vibrational and thermo-inertial convective movements in the real weightlessness[1] and controlling microgravity fields[2]. However regarding structures of thermovibrational convection the results of experiments have inconsistent character. Therefore carrying out the ground-based modeling of the given problem is actually. In this work in laboratory conditions were investigated the thermo-vibrational convective movements from the dot heat source at high-frequency vibrations of the cavity with the fluid and presence quasi-static microacceleration. As the result of ground-based modeling, the regimes of convective flows, similar observed in the space experiment are received. Evolution of the convective structures and the spatial-temporary characteristics of movements are investigated in a wide range of the problem parameters. The control criteria and its critical value are determined. The received results well coordinated to the data of space experiments and allow adding and expanding representation about thermo-vibrational effects in conditions of real weightlessness and remove the contradictions concerning structures thermo-vibrational convective flows, received at the analysis of the given orbital experiments. The research described in this publication was made possible in part by Russian Foundation for Basic Research and Administration of Perm Region, Russia, under grant 04-02-96038, and Award No. PE-009-0 of the U.S. Civilian Research & Development Foundation for the Independent States of the Former Soviet Union (CRDF). A.V. Zyuzgin, A. I. Ivanov, V. I. Polezhaev, G. F. Putin, E. B. Soboleva Convective Motions in Near-Critical Fluids under Real Zero-Gravity Conditions. Cosmic Research
Langevin equation path integral ground state.
Constable, Steve; Schmidt, Matthew; Ing, Christopher; Zeng, Tao; Roy, Pierre-Nicholas
2013-08-15
We propose a Langevin equation path integral ground state (LePIGS) approach for the calculation of ground state (zero temperature) properties of molecular systems. The approach is based on a modification of the finite temperature path integral Langevin equation (PILE) method (J. Chem. Phys. 2010, 133, 124104) to the case of open Feynman paths. Such open paths are necessary for a ground state formulation. We illustrate the applicability of the method using model systems and the weakly bound water-parahydrogen dimer. We show that the method can lead to converged zero point energies and structural properties.
Train-induced field vibration measurements of ground and over-track buildings.
Zou, Chao; Wang, Yimin; Moore, James A; Sanayei, Masoud
2017-01-01
Transit-oriented development, such as metro depot and over-track building complexes, has expanded rapidly over the last 5years in China. Over-track building construction has the advantage of comprehensive utilization of land resources, ease of commuting to work, and provide funds for subway construction. But the high frequency of subway operations into and out of the depots can generate excessive vibrations that transmit into the over track buildings, radiate noise within the buildings, hamper the operation of vibration sensitive equipment, and adversely affect the living quality of the building occupants. Field measurements of vibration during subway operations were conducted at Shenzhen, China, a city of 10.62 million people in southern China. Considering the metro depot train testing line and throat area train lines were the main vibration sources, vibration data were captured in five measurement setups. The train-induced vibrations were obtained and compared with limitation of FTA criteria. The structure-radiated noise was calculated using measured vibration levels. The vertical vibration energy directly passed through the columns on both sides of track into the platform, amplifying vibration on the platform by up to 6dB greater than ground levels at testing line area. Vibration amplification around the natural frequency in the vertical direction of over-track building made the peak values of indoor floor vibration about 16dB greater than outdoor platform vibration. We recommend to carefully examining design of new over-track buildings within 40m on the platform over the throat area to avoid excessive vertical vibrations and noise. For both buildings, the measured vertical vibrations were less than the FTA limit. However, it is demonstrated that the traffic-induced high-frequency noise has the potential to annoy occupants on the upper floors.
Enhanced ground-based vibration testing for aerodynamic environments
Daborn, P. M.; Ind, P. R.; Ewins, D. J.
2014-12-01
Typical methods of replicating aerodynamic environments in the laboratory are generally poor. A structure which flies "freely" in its normal operating environment, excited over its entire external surface by aerodynamic forces and in all directions simultaneously, is then subjected to a vibration test in the laboratory whilst rigidly attached to a high impedance shaker and excited by forces applied through a few attachment points and in one direction only. The two environments could hardly be more different. The majority of vibration testing is carried out at commercial establishments and it is understandable that little has been published which demonstrates the limitations with the status quo. The primary objective of this research is to do just that with a view to identifying significant improvements in vibration testing in light of modern technology. In this paper, case studies are presented which highlight some of the limitations with typical vibration tests showing that they can lead to significant overtests, sometimes by many orders of magnitude, with the level of overtest varying considerably across a wide range of frequencies. This research shows that substantial benefits can be gained by "freely" suspending the structure in the laboratory and exciting it with a relatively small number of electrodynamic shakers using Multi-Input-Multi-Output (MIMO) control technology. The shaker configuration can be designed to excite the modes within the bandwidth utilising the inherent amplification of the resonances to achieve the desired response levels. This free-free MIMO vibration test approach is shown to result in substantial benefits that include extremely good replication of the aerodynamic environment and significant savings in time as all axes are excited simultaneously instead of the sequential X, Y and Z testing required with traditional vibration tests. In addition, substantial cost savings can be achieved by replacing some expensive large shaker systems
Ground-state rotational constants of 12CH 3D
Chackerian, C.; Guelachvili, G.
1980-12-01
An analysis of ground-state combination differences in the ν2( A1) fundamental band of 12CH 3D ( ν0 = 2200.03896 cm -1) has been made to yield values for the rotational constants B0, D0J, D0JK, H0JJJ, H0JJK, H0JKK, LJJJJ, L0JJJK, and order of magnitude values for L0JJKK and L0JKKK. These constants should be useful in assisting radio searches for this molecule in astrophysical sources. In addition, splittings of A1A2 levels ( J ≥ 17, K = 3) have been measured in both the ground and excited vibrational states of this band.
EIT ground-state cooling of long ion strings
Lechner, R; Hempel, C; Jurcevic, P; Lanyon, B P; Monz, T; Brownnutt, M; Blatt, R; Roos, C F
2016-01-01
Electromagnetically-induced-transparency (EIT) cooling is a ground-state cooling technique for trapped particles. EIT offers a broader cooling range in frequency space compared to more established methods. In this work, we experimentally investigate EIT cooling in strings of trapped atomic ions. In strings of up to 18 ions, we demonstrate simultaneous ground state cooling of all radial modes in under 1 ms. This is a particularly important capability in view of emerging quantum simulation experiments with large numbers of trapped ions. Our analysis of the EIT cooling dynamics is based on a novel technique enabling single-shot measurements of phonon numbers, by rapid adiabatic passage on a vibrational sideband of a narrow transition.
On the ground state of metallic hydrogen
Chakravarty, S.; Ashcroft, N. W.
1978-01-01
A proposed liquid ground state of metallic hydrogen at zero temperature is explored and a variational upper bound to the ground state energy is calculated. The possibility that the metallic hydrogen is a liquid around the metastable point (rs = 1.64) cannot be ruled out. This conclusion crucially hinges on the contribution to the energy arising from the third order in the electron-proton interaction which is shown here to be more significant in the liquid phase than in crystals.
A global approach to ground state solutions
Directory of Open Access Journals (Sweden)
Philip Korman
2008-08-01
Full Text Available We study radial solutions of semilinear Laplace equations. We try to understand all solutions of the problem, regardless of the boundary behavior. It turns out that one can study uniqueness or multiplicity properties of ground state solutions by considering curves of solutions of the corresponding Dirichlet and Neumann problems. We show that uniqueness of ground state solutions can sometimes be approached by a numerical computation.
A global approach to ground state solutions
2008-01-01
We study radial solutions of semilinear Laplace equations. We try to understand all solutions of the problem, regardless of the boundary behavior. It turns out that one can study uniqueness or multiplicity properties of ground state solutions by considering curves of solutions of the corresponding Dirichlet and Neumann problems. We show that uniqueness of ground state solutions can sometimes be approached by a numerical computation.
Combined Effects of High-Speed Railway Noise and Ground Vibrations on Annoyance.
Yokoshima, Shigenori; Morihara, Takashi; Sato, Tetsumi; Yano, Takashi
2017-07-27
The Shinkansen super-express railway system in Japan has greatly increased its capacity and has expanded nationwide. However, many inhabitants in areas along the railways have been disturbed by noise and ground vibration from the trains. Additionally, the Shinkansen railway emits a higher level of ground vibration than conventional railways at the same noise level. These findings imply that building vibrations affect living environments as significantly as the associated noise. Therefore, it is imperative to quantify the effects of noise and vibration exposures on each annoyance under simultaneous exposure. We performed a secondary analysis using individual datasets of exposure and community response associated with Shinkansen railway noise and vibration. The data consisted of six socio-acoustic surveys, which were conducted separately over the last 20 years in Japan. Applying a logistic regression analysis to the datasets, we confirmed the combined effects of vibration/noise exposure on noise/vibration annoyance. Moreover, we proposed a representative relationship between noise and vibration exposures, and the prevalence of each annoyance associated with the Shinkansen railway.
A Comparative Study of Ground and Underground Vibrations Induced by Bench Blasting
Directory of Open Access Journals (Sweden)
Xiuzhi Shi
2016-01-01
Full Text Available Ground vibrations originating from bench blasting may cause damage to slopes, structures, and underground workings in close proximity to an operating open-pit mine. It is important to monitor and predict ground vibration levels induced by blasting and to take measures to reduce their hazardous effects. The aims of this paper are to determine the weaker protection objects by comparatively studying bench blasting induced vibrations obtained at surface and in an underground tunnel in an open-pit mine and thus to seek vibration control methods to protect engineering objects at the site. Vibrations arising from measurement devices at surface and in an underground tunnel at the Zijinshan Open-Pit Mine were obtained. Comparative analysis of the peak particle velocities shows that, in the greatest majority of cases, surface values are higher than underground values for the same vibration distance. The transmission laws of surface and underground vibrations were established depending on the type of rock mass, the explosive charge, and the distance. Compared with the Chinese Safety Regulations for Blasting (GB6722-2014, the bench blasting induced vibrations would not currently cause damage to the underground tunnel. According to the maximum allowable peak particle velocities for different objects, the permitted maximum charges per delay are obtained to reduce damage to these objects at different distances.
Mitigation of Ground Vibration by Double Sheet-pile Walls
DEFF Research Database (Denmark)
Andersen, Lars; Frigaard, Peter; Augustesen, Anders
2008-01-01
Open trenches are an effective means of vibration mitigation, but they cannot be established in practice. When the trenches are covered by a concrete pavement, part of the efficiency may be lost. However, the present analysis indicates that barriers of this kind may still lead to a significant re...
Effects of ramp vibrational states on flexural intrinsic vibrations in Besocke-style scanners
Institute of Scientific and Technical Information of China (English)
Zhang Hui; Jiang Guo-Zhu; Liu Zhao-Qun; Zhang Shu-Yi; Fan Li
2013-01-01
For both the vibrating and steady supporting surfaces of a scanning disk in a Besocke-style piezoelectric scanner,a theoretical model is given by considering the nonlinear lateral friction at the micro-contact interface between the positioning legs and the supporting surface.Numerical simulations demonstrate that unexpected flexural vibrations can arise from a vibrating ramp,and their frequencies are lower than the eigenfrequencies of the scanner in the linearly elastic regime.The vibrations essentially depend on 1) the vibrational states of the supporting ramp and the steel ball tips on the three piezoelectric positioning legs,and 2) the tribological characteristics of the contacts between the tips and the ramp.The results give an insight into the intrinsic vibrations of the scanners,and are applicable in designing and optimizing piezoelectric scanning systems.
Arattano, M.; Abancó, C.; Coviello, V.; Hürlimann, M.
2014-12-01
Ground vibration sensors have been increasingly used and tested, during the last few years, as devices to monitor debris flows and they have also been proposed as one of the more reliable devices for the design of debris flow warning systems. The need to process the output of ground vibration sensors, to diminish the amount of data to be recorded, is usually due to the reduced storing capabilities and the limited power supply, normally provided by solar panels, available in the high mountain environment. There are different methods that can be found in literature to process the ground vibration signal produced by debris flows. In this paper we will discuss the two most commonly employed: the method of impulses and the method of amplitude. These two methods of data processing are analyzed describing their origin and their use, presenting examples of applications and their main advantages and shortcomings. The two methods are then applied to process the ground vibration raw data produced by a debris flow occurred in the Rebaixader Torrent (Spanish Pyrenees) in 2012. The results of this work will provide means for decision to researchers and technicians who find themselves facing the task of designing a debris flow monitoring installation or a debris flow warning equipment based on the use of ground vibration detectors.
Gardner, Adrian M.; Tuttle, William D.; Groner, Peter; Wright, Timothy G.
2017-03-01
For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state of the cation of p-xylene are investigated using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the present work, we concentrate on the 0-350 cm-1 region, where there are a number of torsional and vibtor bands and we discuss the assignment of this region. In Paper II [W. D. Tuttle et al., J. Chem. Phys. 146, 124309 (2017)], we examine the 350-600 cm-1 region where vibtor levels are observed as part of a Fermi resonance. The similarity of much of the observed spectral activity to that in the related substituted benzenes, toluene and para-fluorotoluene, is striking, despite the different symmetries. The discussion necessitates a consideration of the MSG of p-xylene, which has been designated G72, but we shall also designate [{3,3}]D2h and we include the symmetry operations, character table, and direct product table for this. We also discuss the symmetries of the internal rotor (torsional) levels and the selection rules for the particular electronic transition of p-xylene investigated here.
Ground vibrations due to pile and sheet pile driving : prediction models of today
Deckner, Fanny; Viking, Kenneth; Hintze, Staffan
2012-01-01
As part of aconstruction work pile and sheet pile driving unavoidably generates vibrations.As of today construction works are often located in urban areas and along withsociety’s increasing concern of environmental impact the need for vibrationprediction prior to construction is of immediate interest. This study presents a review of the predictionmodels existing today. For prediction of ground vibrations from pile and sheetpile driving there are roughly three different types of models; empiri...
Measurement of ground and nearby building vibration and noise induced by trains in a metro depot.
Zou, Chao; Wang, Yimin; Wang, Peng; Guo, Jixing
2015-12-01
Metro depots are where subway trains are parked and where maintenance is carried out. They usually occupy the largest ground areas in metro projects. Due to land utilization problems, Chinese cities have begun to develop over-track buildings above metro depots for people's life and work. The frequently moving trains, when going into and out of metro depots, can cause excessive vibration and noise to over-track buildings and adversely affect the living quality of the building occupants. Considering the current need of reliable experimental data for the construction of metro depots, field measurements of vibration and noise on the ground and inside a nearby 3-story building subjected to moving subway trains were conducted in a metro depot at Guangzhou, China. The amplitudes and frequency contents of velocity levels were quantified and compared. The composite A-weighted equivalent sound levels and maximum sound levels were captured. The predicted models for vibration and noise of metro depot were proposed based on existing models and verified. It was found that the vertical vibrations were significantly greater than the horizontal vibrations on the ground and inside the building near the testing line. While at the throat area, the horizontal vibrations near the curved track were remarkably greater than the vertical vibrations. The attenuation of the vibrations with frequencies above 50 Hz was larger than the ones below 50 Hz, and the frequencies of vibration transmitting to adjacent buildings were mainly within 10-50 Hz. The largest equivalent sound level generated in the throat area was smaller than the testing line one, but the instantaneous maximum sound level induced by wheels squeal, contact between wheels and rail joints as well as turnout was close to or even greater than the testing line one. The predicted models gave a first estimation for design and assessment of newly built metro depots.
Sibaev, Marat; Crittenden, Deborah L.
2016-08-01
This work describes the benchmarking of a vibrational configuration interaction (VCI) algorithm that combines the favourable computational scaling of VPT2 with the algorithmic robustness of VCI, in which VCI basis states are selected according to the magnitude of their contribution to the VPT2 energy, for the ground state and fundamental excited states. Particularly novel aspects of this work include: expanding the potential to 6th order in normal mode coordinates, using a double-iterative procedure in which configuration selection and VCI wavefunction updates are performed iteratively (micro-iterations) over a range of screening threshold values (macro-iterations), and characterisation of computational resource requirements as a function of molecular size. Computational costs may be further reduced by a priori truncation of the VCI wavefunction according to maximum extent of mode coupling, along with discarding negligible force constants and VCI matrix elements, and formulating the wavefunction in a harmonic oscillator product basis to enable efficient evaluation of VCI matrix elements. Combining these strategies, we define a series of screening procedures that scale as O ( Nmode 6 ) - O ( Nmode 9 ) in run time and O ( Nmode 6 ) - O ( Nmode 7 ) in memory, depending on the desired level of accuracy. Our open-source code is freely available for download from http://www.sourceforge.net/projects/pyvci-vpt2.
A Numerical Study on the Screening of Blast-Induced Waves for Reducing Ground Vibration
Park, Dohyun; Jeon, Byungkyu; Jeon, Seokwon
2009-06-01
Blasting is often a necessary part of mining and construction operations, and is the most cost-effective way to break rock, but blasting generates both noise and ground vibration. In urban areas, noise and vibration have an environmental impact, and cause structural damage to nearby structures. Various wave-screening methods have been used for many years to reduce blast-induced ground vibration. However, these methods have not been quantitatively studied for their reduction effect of ground vibration. The present study focused on the quantitative assessment of the effectiveness in vibration reduction of line-drilling as a screening method using a numerical method. Two numerical methods were used to analyze the reduction effect toward ground vibration, namely, the “distinct element method” and the “non-linear hydrocode.” The distinct element method, by particle flow code in two dimensions (PFC 2D), was used for two-dimensional parametric analyses, and some cases of two-dimensional analyses were analyzed three-dimensionally using AUTODYN 3D, the program of the non-linear hydrocode. To analyze the screening effectiveness of line-drilling, parametric analyses were carried out under various conditions, with the spacing, diameter of drill holes, distance between the blasthole and line-drilling, and the number of rows of drill holes, including their arrangement, used as parameters. The screening effectiveness was assessed via a comparison of the vibration amplitude between cases both with and without screening. Also, the frequency distribution of ground motion of the two cases was investigated through fast Fourier transform (FFT), with the differences also examined. From our study, it was concluded that line-drilling as a screening method of blast-induced waves was considerably effective under certain design conditions. The design details for field application have also been proposed.
Developing Uncertainty Models for Robust Flutter Analysis Using Ground Vibration Test Data
Potter, Starr; Lind, Rick; Kehoe, Michael W. (Technical Monitor)
2001-01-01
A ground vibration test can be used to obtain information about structural dynamics that is important for flutter analysis. Traditionally, this information#such as natural frequencies of modes#is used to update analytical models used to predict flutter speeds. The ground vibration test can also be used to obtain uncertainty models, such as natural frequencies and their associated variations, that can update analytical models for the purpose of predicting robust flutter speeds. Analyzing test data using the -norm, rather than the traditional 2-norm, is shown to lead to a minimum-size uncertainty description and, consequently, a least-conservative robust flutter speed. This approach is demonstrated using ground vibration test data for the Aerostructures Test Wing. Different norms are used to formulate uncertainty models and their associated robust flutter speeds to evaluate which norm is least conservative.
Vibrating barrier: a novel device for the passive control of structures under ground motion.
Cacciola, P; Tombari, A
2015-07-08
A novel device, called vibrating barrier (ViBa), that aims to reduce the vibrations of adjacent structures subjected to ground motion waves is proposed. The ViBa is a structure buried in the soil and detached from surrounding buildings that is able to absorb a significant portion of the dynamic energy arising from the ground motion. The working principle exploits the dynamic interaction among vibrating structures due to the propagation of waves through the soil, namely the structure-soil-structure interaction. The underlying theoretical aspects of the novel control strategy are scrutinized along with its numerical modelling. Closed-form solutions are also derived to design the ViBa in the case of harmonic excitation. Numerical and experimental analyses are performed in order to investigate the efficiency of the device in mitigating the effects of ground motion waves on the structural response. A significant reduction in the maximum structural acceleration of 87% has been achieved experimentally.
Ground states for nonuniform periodic Ising chains
Martínez-Garcilazo, J. P.; Ramírez, C.
2015-04-01
We generalize Morita's works [J. Phys. A 7, 289 (1974), 10.1088/0305-4470/7/2/014; J. Phys. A 7, 1613 (1974), 10.1088/0305-4470/7/13/015] on ground states of Ising chains, for chains with a periodic structure and different spins, to any interaction order. The main assumption is translational invariance. The length of the irreducible blocks is a multiple of the period of the chain. If there is parity invariance, it restricts the length in general only in the diatomic case. There are degenerated states and under certain circumstances there could be nonregular ground states. We illustrate the results and give the ground state diagrams in several cases.
Random Vibrations: Assessment of the State of the Art
Energy Technology Data Exchange (ETDEWEB)
Paez, T.L.
1999-02-23
Random vibration is the phenomenon wherein random excitation applied to a mechanical system induces random response. We summarize the state of the art in random vibration analysis and testing, commenting on history, linear and nonlinear analysis, the analysis of large-scale systems, and probabilistic structural testing.
Institute of Scientific and Technical Information of China (English)
Jian Hua ZHOU; Shao Kun WANG; Zhi Jun YU; Hai Hui JIANG; Yue Shu GU
2003-01-01
Quasiclassical trajectory calculation (QCT) is used frequently for studying collisional energy transfer between highly vibrationally excited molecules and bath gases. In this paper, the QCT of the energy transfer between highly vibrationally excited C6F6 and N2 ,O2 and ground state C6F6 were performed. The results indicate that highly vibrationally excited C6F6 transferred vibrational energy to vibrational distribution of N2, O2 and ground state C6F6, so they are V-V energy transfer. Especially it is mainly V-V resonance energy transfer between excited C6F6 and ground state C6F6, excited C6F6 transfers more vibrational energy to ground state C6F6 than to N2 and O2 . The values of QCT , -〈△Evib〉of excited C6F6 are smaller than those of experiments.
Ground states of linearly coupled Schrodinger systems
Directory of Open Access Journals (Sweden)
Haidong Liu
2017-01-01
Full Text Available This article concerns the standing waves of a linearly coupled Schrodinger system which arises from nonlinear optics and condensed matter physics. The coefficients of the system are spatially dependent and have a mixed behavior: they are periodic in some directions and tend to positive constants in other directions. Under suitable assumptions, we prove that the system has a positive ground state. In addition, when the L-infinity-norm of the coupling coefficient tends to zero, the asymptotic behavior of the ground states is also obtained.
Trapped Antihydrogen in Its Ground State
Gabrielse, G; Kolthammer, W S; McConnell, R; Richerme, P; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D W; George, M C; Hessels, E A; Storry, C H; Weel, M; Mullers, A; Walz, J
2012-01-01
Antihydrogen atoms are confined in an Ioffe trap for 15 to 1000 seconds -- long enough to ensure that they reach their ground state. Though reproducibility challenges remain in making large numbers of cold antiprotons and positrons interact, 5 +/- 1 simultaneously-confined ground state atoms are produced and observed on average, substantially more than previously reported. Increases in the number of simultaneously trapped antithydrogen atoms H are critical if laser-cooling of trapped antihydrogen is to be demonstrated, and spectroscopic studies at interesting levels of precision are to be carried out.
Fourfold Clusters of Rovibrational Energy Levels in the Fundamental Vibrational States of H 2Se
Kozin, I. N.; Jensen, P.
1993-09-01
We report here a calculation of the rotation-vibration energies in the ν1, ν2, ν3, and 2ν2 vibrational states of H280Se using the MORBID (Morse oscillator rigid bender internal dynamics) Hamiltonian and computer program [P. Jensen, J. Mol. Spectrosc.128, 478-501 (1988); J. Chem. Soc. Faraday Trans. 284, 1315-1340 (1988)]. As input data for the calculation, we employ a potential energy surface recently determined from experimental data by means of the MORBID approach [P. Jensen and I. N. Kozin. J. Mol. Spectrosc., in press.]. For all of the vibrational states considered. the calculation shows that as J increases, fourfold rovibrational energy clusters are formed. This effect has already been experimentally verified for the vibrational ground state and its origin was shown to lie in the centrifugal distortion of the molecule [I. N. Kozin, S. P. Belov, O. L. Polyansky, and M. Yu. Tretyakov, J. Mol. Spectrosc.152, 13-28 (1992); I. N. Kozin, O. L. Polyansky, S. I. Pripolzin, and V. L. Vaks, J. Mol. Spectrosc.156, 504-506 (l992); I. N. Kozin, S. Klee, P. Jensen, O. L. Polyansky, and I. M. Pavlichenkov, J. Mol. Spectrosc.,158, 409-422 (1993)]. We find here that the cluster formation in the ν2 and 2ν2 vibrational states is completely analogous to that in the vibrational ground state. For the ν1/ν3 interacting vibrational states, however, we predict a new type of fourfold clusters. We can describe their formation as a coalescence (with increasing J) of two energy doublets, where one doublet belongs to the ν1 vibrational state and the other one to the ν3 vibrational state, An interpretation of the "new" cluster eigenstates is given, and the origins of the cluster formation are discussed in terms of semiclassical theory. The semiclassical analysis shows that the new clusters are caused essentially bx the rotational interactions between the ν1 and the ν3 states. The predicted term values from the present work are found to be in good agreement with experimental
Filtering of matter wave vibrational states via spatial adiabatic passage
Loiko, Yu; Corbalán, R; Birkl, G; Mompart, J; 10.1103/PhysRevA.83.033629
2011-01-01
We discuss the filtering of the vibrational states of a cold atom in an optical trap, by chaining this trap with two empty ones and controlling adiabatically the tunneling. Matter wave filtering is performed by selectively transferring the population of the highest populated vibrational state to the most distant trap while the population of the rest of the states remains in the initial trap. Analytical conditions for two-state filtering are derived and then applied to an arbitrary number of populated bound states. Realistic numerical simulations close to state-of-the-art experimental arrangements are performed by modeling the triple well with time dependent P\\"oschl-Teller potentials. In addition to filtering of vibrational states, we discuss applications for quantum tomography of the initial population distribution and engineering of atomic Fock states that, eventually, could be used for tunneling assisted evaporative cooling.
Reasons and laws of ground vibration amplification induced by vertical dynamic load
Institute of Scientific and Technical Information of China (English)
马蒙; 刘维宁; 孙宁; 王文斌
2014-01-01
The phenomenon of ground vibration amplification caused by railway traffic was found and proved. In order to study the reasons which cause the amplification, a drop-weight test was performed. Then, the model for both homogeneous and layered soil subjected to a harmonic vertical load was built. With the help of this model, displacement Green’s function was calculated and the propagation laws of ground vibration responses were discussed. Results show that: 1) When applying a harmonic load on the half-space surface, the amplitude of ground vibrations attenuate with fluctuation, which is caused by the superposition of bulk and Rayleigh waves. 2) Vibration amplification can be enlarged under the conditions of embedded source and the soil layers. 3) In practice, the fluctuant attenuation should be paid attention to especially for the vibration receivers who are sensitive to single low frequencies (<10 Hz). Moreover, for the case of embedded loads, it should also be paid attention to that the receivers are located at the place where the horizontal distance is similar to embedded depth, usually 10 to 30 m for metro lines.
Mitigation of Traffic-Induced Ground Vibration by Inclined Wave Barriers
DEFF Research Database (Denmark)
Andersen, Lars; Augustesen, Anders Hust
2009-01-01
Double sheet pile walls can be used as wave barriers in order to mitigate ground vibrations from railways. The present analysis concerns the efficiency of such barriers, especially with regard to the influence of the barrier inclination and the backfill between the walls. Thus, the screening...
Quiet Spike(TradeMark) Build-up Ground Vibration Testing Approach
Spivey, Natalie D.; Herrera, Claudia Y.; Truax, Roger; Pak, Chan-gi; Freund, Donald
2007-01-01
Flight tests of the Gulfstream Aerospace Corporation s Quiet Spike(TradeMark) hardware were recently completed on the National Aeronautics and Space Administration Dryden Flight Research Center F-15B airplane. NASA Dryden uses a modified F-15B (836) airplane as a testbed aircraft to cost-effectively fly flight research experiments that are typically mounted underneath the airplane, along the fuselage centerline. For the Quiet Spike(TradeMark) experiment, instead of a centerline mounting, a forward-pointing boom was attached to the radar bulkhead of the airplane. The Quiet Spike(TradeMark) experiment is a stepping-stone to airframe structural morphing technologies designed to mitigate the sonic-boom strength of business jets flying over land. Prior to flying the Quiet Spike(TradeMark) experiment on the F-15B airplane several ground vibration tests were required to understand the Quiet Spike(TradeMark) modal characteristics and coupling effects with the F-15B airplane. Because of flight hardware availability and compressed schedule requirements, a "traditional" ground vibration test of the mated F-15B Quiet Spike(TradeMark) ready-for-flight configuration did not leave sufficient time available for the finite element model update and flutter analyses before flight-testing. Therefore, a "nontraditional" ground vibration testing approach was taken. This report provides an overview of each phase of the "nontraditional" ground vibration testing completed for the Quiet Spike(TradeMark) project.
Predictions of experimentally observed stochastic ground vibrations induced by blasting.
Kostić, Srđan; Perc, Matjaž; Vasović, Nebojša; Trajković, Slobodan
2013-01-01
In the present paper, we investigate the blast induced ground motion recorded at the limestone quarry "Suva Vrela" near Kosjerić, which is located in the western part of Serbia. We examine the recorded signals by means of surrogate data methods and a determinism test, in order to determine whether the recorded ground velocity is stochastic or deterministic in nature. Longitudinal, transversal and the vertical ground motion component are analyzed at three monitoring points that are located at different distances from the blasting source. The analysis reveals that the recordings belong to a class of stationary linear stochastic processes with Gaussian inputs, which could be distorted by a monotonic, instantaneous, time-independent nonlinear function. Low determinism factors obtained with the determinism test further confirm the stochastic nature of the recordings. Guided by the outcome of time series analysis, we propose an improved prediction model for the peak particle velocity based on a neural network. We show that, while conventional predictors fail to provide acceptable prediction accuracy, the neural network model with four main blast parameters as input, namely total charge, maximum charge per delay, distance from the blasting source to the measuring point, and hole depth, delivers significantly more accurate predictions that may be applicable on site. We also perform a sensitivity analysis, which reveals that the distance from the blasting source has the strongest influence on the final value of the peak particle velocity. This is in full agreement with previous observations and theory, thus additionally validating our methodology and main conclusions.
Ground state of a confined Yukawa plasma
Henning, C; Block, D; Bonitz, M; Golubnichiy, V; Ludwig, P; Piel, A
2006-01-01
The ground state of an externally confined one-component Yukawa plasma is derived analytically. In particular, the radial density profile is computed. The results agree very well with computer simulations on three-dimensional spherical Coulomb crystals. We conclude in presenting an exact equation for the density distribution for a confinement potential of arbitrary geometry.
Rearrangements in ground and excited states
de Mayo, Paul
1980-01-01
Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;
Soft Computing Approach to Evaluate and Predict Blast-Induced Ground Vibration
Khandelwal, Manoj
2010-05-01
Drilling and blasting is still one of the major economical operations to excavate a rock mass. The consumption of explosive has been increased many folds in recent years. These explosives are mainly used for the exploitation of minerals in mining industry or the removal of undesirable rockmass for community development. The amount of chemical energy converted into mechanical energy to fragment and displace the rockmass is minimal. Only 20 to 30% of this explosive energy is utilized for the actual fragmentation and displacement of rockmass and rest of the energy is wasted in undesirable ill effects, like, ground vibration, air over pressure, fly rock, back break, noise, etc. Ground vibration induced due to blasting is very crucial and critical as compared to other ill effects due to involvement of public residing in the close vicinity of mining sites, regulating and ground vibration standards setting agencies together with mine owners and environmentalists and ecologists. Also, with the emphasis shifting towards eco-friendly, sustainable and geo-environmental activities, the field of ground vibration have now become an important and imperative parameter for safe and smooth running of any mining and civil project. The ground vibration is a wave motion, spreading outward from the blast like ripples spreading outwards due to impact of a stone dropped into a pond of water. As the vibration passes through the surface structures, it induces vibrations in those structures also. Sometimes, due to high ground vibration level, dwellings may get damaged and there is always confrontation between mine management and the people residing in the surroundings of the mine area. There is number of vibration predictors available suggested by different researchers. All the predictors estimate the PPV based on mainly two parameters (maximum charge used per delay and distance between blast face to monitoring point). However, few predictors considered attenuation/damping factor too. For
Theoretical study on thermal decomposition of azoisobutyronitrile in ground state
Institute of Scientific and Technical Information of China (English)
SUN Chengke; ZHAO Hongmei; LI Zonghe
2004-01-01
The thermal decomposition mechanisms of azoisobutyronitrile (AIBN) in the ground state have been investigated systematically. Based on the potential energy surfaces (PES) of various possible dissociation paths obtained using the semiempirical AM1 method with partial optimization, the density function theory B3LYP/6-311G* method was employed to optimize the geometric parameters of the reactants, the intermediates, the products and the transition states,which were further confirmed by the vibrational analysis. The obtained results show that the reaction process of the two-bond (three-body) simultaneous cleavage Me2(CN)C-N=Nleading to the reaction proceeding in the former pathway. The calculation results were consistent with all the experimental facts.
Sun, Liangming; Xie, Weiping; He, Xingwen; Hayashikawa, Toshiro
2016-03-01
In this study a 3D numerical analysis approach is developed to predict the ground vibration around rigid-frame viaducts induced by running high-speed trains. The train-bridge-ground interaction system is divided into two subsystems: the train-bridge interaction and the soil-structure interaction. First, the analytical program to simulate bridge vibration with consideration of train-bridge interaction is developed to obtain the vibration reaction forces at the pier bottoms. The highspeed train is described by a multi-DOFs vibration system and the rigid-frame viaduct is modeled with 3D beam elements. Second, applying these vibration reaction forces as input external excitations, the ground vibration is simulated by using a general-purpose program that includes soil-structure interaction effects. The validity of the analytical procedure is confirmed by comparing analytical and experimental results. The characteristics of high-speed train-induced vibrations, including the location of predominant vibration, are clarified. Based on this information a proposed vibration countermeasure using steel strut and new barrier is found effective in reducing train-induced vibrations and it satisfies environmental vibration requirements. The vibration screening efficiency is evaluated by reduction VAL based on 1/3 octave band spectral analysis.
Karhu, J.; Nauta, J.; Vainio, M.; Metsälä, M.; Hoekstra, S.; Halonen, L.
2016-06-01
A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring-down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, ν 1 + ν 2 + ν 3 + ν4 1 + ν5 - 1 in the normal mode notation. Single-photon transitions to this state from the vibrational ground state are forbidden. Ten lines of the newly measured state are observed and fitted with the linear least-squares method to extract the band parameters. The vibrational term value was measured to be at 9775.0018(45) cm-1, the rotational parameter B was 1.162 222(37) cm-1, and the quartic centrifugal distortion parameter D was 3.998(62) × 10-6 cm-1, where the numbers in the parenthesis are one-standard errors in the least significant digits.
Ground-borne vibrations due to dynamic loadings from moving trains in subway tunnels
Institute of Scientific and Technical Information of China (English)
Xue-cheng BIAN; Wan-feng JIN; Hong-guang JIANG
2012-01-01
In this study,ground vibrations due to dynamic loadings from trains moving in subway tunnels were investigated using a 2.5D finite element model of an underground tunnel and surrounding soil interactions.In our model,wave propagation in the infinitely extended ground is dealt with using a simple,yet efficient gradually damped artificial boundary.Based on the assumption of invariant geometry and material distribution in the tunnel's direction,the Fourier transform of the spatial dimension in this direction is applied to represent the waves in terms of the wave-number.Finite element discretization is employed in the cross-section perpendicular to the tunnel direction and the governing equations are solved for every discrete wave-number.The 3D ground responses are calculated from the wave-number expansion by employing the inverse Fourier transform.The accuracy of the proposed analysis method is verified by a semi-analytical solution of a rectangular load moving inside a soil stratum.A case study of subway train induced ground vibration is presented and the dependency of wave attenuation at the ground surface on the vibration frequency of the moving load is discussed.
A shear wave ground surface vibration technique for the detection of buried pipes
Muggleton, J. M.; Papandreou, B.
2014-07-01
A major UK initiative, entitled 'Mapping the Underworld' aims to develop and prove the efficacy of a multi-sensor device for accurate remote buried utility service detection, location and, where possible, identification. One of the technologies to be incorporated in the device is low-frequency vibro-acoustics; the application of this technology for detecting buried infrastructure, in particular pipes, is currently being investigated. Here, a shear wave ground vibration technique for detecting buried pipes is described. For this technique, shear waves are generated at the ground surface, and the resulting ground surface vibrations measured. Time-extended signals are employed to generate the illuminating wave. Generalized cross-correlation functions between the measured ground velocities and a reference measurement adjacent to the excitation are calculated and summed using a stacking method to generate a cross-sectional image of the ground. To mitigate the effects of other potential sources of vibration in the vicinity, the excitation signal can be used as an additional reference when calculating the cross-correlation functions. Measurements have been made at two live test sites to detect a range of buried pipes. Successful detection of the pipes was achieved, with the use of the additional reference signal proving beneficial in the noisier of the two environments.
Trapping cold ground state argon atoms.
Edmunds, P D; Barker, P F
2014-10-31
We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39) C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10) cm(3) s(-1).
Bound and continuum vibrational states of the bifluoride anion
Špirko, V.; Šindelka, M.; Shirsat, R. N.; Leszczynski, J.
2003-07-01
The energies of the bound vibrational states and energy density spectra of the continuum vibrational states of FHF - are calculated, 'exactly' and 'adiabatically', using a new ab initio (CCSD(T)) potential energy surface. Statistical properties of the bound states are probed in terms of the density of states and nearest neighbor level spacing distributions (NNSD). Importantly, the approximate 'adiabatic' densities coincide nearly quantitatively with their 'exact' counterparts. A quantitative fitting of the NNSDs is achieved with a new empirical modification of the Wigner distribution.
Energy Technology Data Exchange (ETDEWEB)
Lin, Feng; Li, Yi [Department of Building Engineering, Tongji University, No. 1239 Siping Road, Shanghai 200092 (China); Gu, Xianglin, E-mail: gxl@tongji.edu.cn [Department of Building Engineering, Tongji University, No. 1239 Siping Road, Shanghai 200092 (China); Zhao, Xinyuan [Department of Building Engineering, Tongji University, No. 1239 Siping Road, Shanghai 200092 (China); Tang, Dongsheng [Guangdong Electric Power Design Institute, No. 1 Tianfeng Road, Guangzhou, Guangdong 510663 (China)
2013-05-15
Highlights: ► Ground vibration due to the collapse of a huge cooling tower was predicted. ► Accidental loads with different characteristics caused different collapse modes. ► Effect of ground vibration on the nuclear-related facilities cannot be ignored. -- Abstract: A comprehensive approach is presented in this study for the prediction of the ground vibration due to the collapse of a 235 m high cooling tower, which can be caused by various accidental loads, e.g., explosion or strong wind. The predicted ground motion is to be used in the safety evaluation of nuclear-related facilities adjacent to the cooling tower, as well as the plant planning of a nuclear power station to be constructed in China. Firstly, falling weight tests were conducted at a construction site using the dynamic compaction method. The ground vibrations were measured in the form of acceleration time history. A finite element method based “falling weight-soil” model was then developed and verified by field test results. Meanwhile, the simulated collapse processes of the cooling tower under two accidental loads were completed in a parallel study, the results of which are briefly introduced in this paper. Furthermore, based on the “falling weight-soil” model, “cooling tower-soil” models were developed for the prediction of the ground vibrations induced by two collapse modes of the cooling tower. Finally, for a deep understanding of the vibration characteristics, a parametric study was also conducted with consideration of different collapse profiles, soil geologies as well as the arrangements of an isolation trench. It was found that severe ground vibration occurred in the vicinity of the cooling tower when the collapse happened. However, the vibration attenuated rapidly with the increase in distance from the cooling tower. Moreover, the “collapse in integrity” mode and the rock foundation contributed to exciting intense ground vibration. By appropriately arranging an isolation
Institute of Scientific and Technical Information of China (English)
Faramarzi Farhad⇑; Ebrahimi Farsangi Mohammad Ali; Mansouri Hamid
2014-01-01
The significance of studying, monitoring and predicting blast induced vibration and noise level in mining and civil activities is justified in the capability of imposing damages, sense of uncertainty due to negative psychological impacts on involved personnel and also judicial complaints of local inhabitants in the nearby area. This paper presents achieved results during an investigation carried out at Sungun Copper Mine, Iran. Besides, the research also studied the significance of blast induced ground vibration and air-blast on safety aspects of nearby structures, potential risks, frequency analysis, and human response. According to the United States Bureau of Mines (USBM) standard, the attenuation equations were devel-oped using field records. A general frequency analysis and risk evaluation revealed that:94%of generated frequencies are less than 14 Hz which is within the natural frequency of structures that increases risk of damage. At the end, studies of human response showed destructive effects of the phenomena by ranging between 2.54 and 25.40 mm/s for ground vibrations and by the average value of 110 dB for noise levels which could increase sense of uncertainty among involved employees.
Electronic Ground State of Higher Acenes
Jiang, De-en
2007-01-01
We examine the electronic ground state of acenes with different number of fused benzene rings (up to 40) by using first principles density functional theory. Their properties are compared with those of infinite polyacene. We find that the ground state of acenes that consist of more than seven fused benzene rings is an antiferromagnetic (in other words, open-shell singlet) state, and we show that this singlet is not necessarily a diradical, because the spatially separated magnetizations for the spin-up and spin-down electrons increase with the size of the acene. For example, our results indicate that there are about four spin-up electrons localized at one zigzag edge of 20-acene. The reason that both acenes and polyacene have the antiferromagnetic ground state is due to the zigzag-shaped boundaries, which cause pi-electrons to localize and form spin orders at the edges. Both wider graphene ribbons and large rectangular-shaped polycyclic aromatic hydrocarbons have been shown to share this antiferromagnetic grou...
Development of a sine-dwell ground vibration test (GVT) system
CSIR Research Space (South Africa)
Van Zyl, Lourens H
2006-02-27
Full Text Available stream_source_info VanZyl_2006.pdf.txt stream_content_type text/plain stream_size 9765 Content-Encoding UTF-8 stream_name VanZyl_2006.pdf.txt Content-Type text/plain; charset=UTF-8 Development of a Sine-Dwell Ground... vibration testing? • Basics of sine-dwell testing Getting the structure to vibrate in phase, and what then? • Excitation hardware Exciters are similar to speakers • Measurement system Force and response as complex numbers • Excitation control...
Triplet-singlet conversion in ultracold Cs$_2$ and production of ground state molecules
Bouloufa, Nadia; Aymar, Mireille; Dulieu, Olivier
2010-01-01
We propose a process to convert ultracold metastable Cs$_2$ molecules in their lowest triplet state into (singlet) ground state molecules in their lowest vibrational levels. Molecules are first pumped into an excited triplet state, and the triplet-singlet conversion is facilitated by a two-step spontaneous decay through the coupled $A^{1}\\Sigma_{u}^{+} \\sim b ^{3}\\Pi_{u}$ states. Using spectroscopic data and accurate quantum chemistry calculations for Cs$_2$ potential curves and transition dipole moments, we show that this process has a high rate and competes favorably with the single-photon decay back to the lowest triplet state. In addition, we demonstrate that this conversion process represents a loss channel for vibrational cooling of metastable triplet molecules, preventing an efficient optical pumping cycle down to low vibrational levels.
Magnetic properties of ground-state mesons
Energy Technology Data Exchange (ETDEWEB)
Simonis, V. [Vilnius University Institute of Theoretical Physics and Astronomy, Vilnius (Lithuania)
2016-04-15
Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties (i.e., usual magnetic moments) to be of sufficiently high quality, too. (orig.)
First observation of $^{13}$Li ground state
Kohley, Z; DeYoung, P A; Volya, A; Baumann, T; Bazin, D; Christian, G; Cooper, N L; Frank, N; Gade, A; Hall, C; Hinnefeld, J; Luther, B; Mosby, S; Peters, W A; Smith, J K; Snyder, J; Spyrou, A; Thoennessen, M
2013-01-01
The ground state of neutron-rich unbound $^{13}$Li was observed for the first time in a one-proton removal reaction from $^{14}$Be at a beam energy of 53.6 MeV/u. The $^{13}$Li ground state was reconstructed from $^{11}$Li and two neutrons giving a resonance energy of 120$^{+60}_{-80}$ keV. All events involving single and double neutron interactions in the Modular Neutron Array (MoNA) were analyzed, simulated, and fitted self-consistently. The three-body ($^{11}$Li+$n+n$) correlations within Jacobi coordinates showed strong dineutron characteristics. The decay energy spectrum of the intermediate $^{12}$Li system ($^{11}$Li+$n$) was described with an s-wave scattering length of greater than -4 fm, which is a smaller absolute value than reported in a previous measurement.
Magnetic properties of ground-state mesons
Simonis, Vytautas
2016-01-01
Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties (usual magnetic moments) to be of sufficiently high quality, too.
Thermal ground state and nonthermal probes
Grandou, Thierry
2015-01-01
The Euclidean formulation of SU(2) Yang-Mills thermodynamics admits periodic, (anti)selfdual solutions to the fundamental, classical equation of motion which possess one unit of topological charge: (anti)calorons. A spatial coarse graining over the central region in a pair of such localised field configurations with trivial holonomy generates an inert adjoint scalar field $\\phi$, effectively describing the pure quantum part of the thermal ground state in the induced quantum field theory. The latter's local vertices are mediated by just-not-resolved (anti)caloron centers of action $\\hbar$. This is the basic reason for a rapid convergence of the loop expansion of thermodynamical quantities, polarization tensors, etc., their effective loop momenta being severely constrained in entirely fixed and physical unitary-Coulomb gauge. Here we show for the limit of zero holonomy how (anti)calorons associate a temperature independent electric permittivity and magnetic permeability to the thermal ground state of SU(2)$_{\\t...
Electronic ground state of Ni$_2^+$
Zamudio-Bayer, V; Bülow, C; Leistner, G; Terasaki, A; Issendorff, B v; Lau, J T
2016-01-01
The $^{4}\\Phi_{9/2}$ ground state of the Ni$_2^+$ diatomic molecular cation is determined experimentally from temperature and magnetic-field-dependent x-ray magnetic circular dichroism spectroscopy in a cryogenic ion trap, where an electronic and rotational temperature of $7.4 \\pm 0.2$ K was achieved by buffer gas cooling of the molecular ion. The contribution of the magnetic dipole term to the x-ray magnetic circular dichroism spin sum rule amounts to $7\\, T_z = 0.17 \\pm 0.06$ $\\mu_B$ per atom, approximately 11 \\% of the spin magnetic moment. We find that, in general, homonuclear diatomic molecular cations of $3d$ transition metals seem to adopt maximum spin magnetic moments in their electronic ground states.
Strangeness in the baryon ground states
Semke, A
2012-01-01
We compute the strangeness content of the baryon ground states based on an analysis of recent lattice simulations of the BMW, PACS, LHPC and HSC groups for the pion-mass dependence of the baryon masses. Our results rely on the relativistic chiral Lagrangian and large-$N_c$ sum rule estimates of the counter terms relevant for the baryon masses at N$^3$LO. A partial summation is implied by the use of physical baryon and meson masses in the one-loop contributions to the baryon self energies. A simultaneous description of the lattice results of the BMW, LHPC, PACS and HSC groups is achieved. We predict the pion- and strangeness sigma terms and the pion-mass dependence of the octet and decuplet ground states at different strange quark masses.
Energy Technology Data Exchange (ETDEWEB)
Daly, A. M.; Bermudez, C.; Alonso, J. L. [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Area de Quimica-Fisica, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada del CSIC, Universidad de Valladolid, E-47005 Valladolid (Spain); Lopez, A.; Tercero, B.; Cernicharo, J. [Department of Astrophysics, CAB, INTA-CSIC, Crta Torrejon, E-28850 Torrejon de Ardoz, Madrid (Spain); Pearson, J. C. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr., Padadena, CA 91109 (United States); Marcelino, N., E-mail: adammichael.daly@uva.es, E-mail: cbermu@qf.uva.es, E-mail: jlalonso@qf.uva.es, E-mail: lopezja@cab.inta-csic.es, E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: John.C.Pearson@jpl.nasa.gov, E-mail: nmarceli@nrao.edu [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22903 (United States)
2013-05-01
Ethyl cyanide, CH{sub 3}CH{sub 2}CN, is an important interstellar molecule with a very dense rotational-vibrational spectrum. On the basis of new laboratory data in the range of 17-605 GHz and ab initio calculations, two new vibrational states, {nu}{sub 12} and {nu}{sub 20}, have been detected in molecular clouds of Orion. Laboratory data consist of Stark spectroscopy (17-110 GHz) and frequency-modulated spectrometers (GEM laboratory in Valladolid: 17-170, 270-360 GHz; Toyama: 26-200 GHz; Emory: 200-240 GHz; Ohio State: 258-368 GHz; and JPL: 270-318, 395-605 GHz). More than 700 distinct lines of each species were measured in J up to 71 and in K{sub a} up to 25. The states were fitted with Watson's S-reduction Hamiltonian. The two new states have been identified in the interstellar medium toward the Orion Nebula (Orion KL). The ground state, the isotopologues of CH{sub 3}CH{sub 2}CN, and the vibrationally excited states have been fitted to obtain column densities and to derive vibrational temperatures. All together, ethyl cyanide is responsible for more than 2000 lines in the observed frequency range of 80-280 GHz.
Determining the location of buried plastic water pipes from measurements of ground surface vibration
Muggleton, J. M.; Brennan, M. J.; Gao, Y.
2011-09-01
‘Mapping the Underworld' is a UK-based project, which aims to create a multi-sensor device that combines complementary technologies for remote buried utility service detection and location. One of the technologies to be incorporated in the device is low-frequency vibro-acoustics, and techniques for detecting buried infrastructure, in particular plastic water pipes, are being investigated. One of the proposed techniques involves excitation of the pipe at some known location with concurrent vibrational mapping of the ground surface in order to infer the location of the remainder of the pipe. In this paper, measurements made on a dedicated pipe rig are reported. Frequency response measurements relating vibrational velocity on the ground to the input excitation were acquired. Contour plots of the unwrapped phase revealed the location of the pipe to within 0.1-0.2 m. Magnitude contour plots revealed the excitation point and also the location of the pipe end. By examining the unwrapped phase gradients along a line above the pipe, it was possible to identify the wave-type within the pipe responsible for the ground surface vibration. Furthermore, changes in the ground surface phase speed computed using this method enabled the location of the end of the pipe to be confirmed.
Rearrangements in ground and excited states
de Mayo, Paul
1980-01-01
Rearrangements in Ground and Excited States, Volume 2 covers essays on the theoretical approach of rearrangements; the rearrangements involving boron; and the molecular rearrangements of organosilicon compounds. The book also includes essays on the polytopal rearrangement at phosphorus; the rearrangement in coordination complexes; and the reversible thermal intramolecular rearrangements of metal carbonyls. Chemists and people involved in the study of rearrangements will find the book invaluable.
Ground states for the fractional Schrodinger equation
Directory of Open Access Journals (Sweden)
Binhua Feng
2013-05-01
Full Text Available In this article, we show the existence of ground state solutions for the nonlinear Schrodinger equation with fractional Laplacian $$ (-Delta ^alpha u+ V(xu =lambda |u|^{p}uquadhbox{in $mathbb{R}^N$ for $alpha in (0,1$}. $$ We use the concentration compactness principle in fractional Sobolev spaces $H^alpha$ for $alpha in (0,1$. Our results generalize the corresponding results in the case $alpha =1$.
State resolved vibrational relaxation modeling for strongly nonequilibrium flows
Boyd, Iain D.; Josyula, Eswar
2011-05-01
Vibrational relaxation is an important physical process in hypersonic flows. Activation of the vibrational mode affects the fundamental thermodynamic properties and finite rate relaxation can reduce the degree of dissociation of a gas. Low fidelity models of vibrational activation employ a relaxation time to capture the process at a macroscopic level. High fidelity, state-resolved models have been developed for use in continuum gas dynamics simulations based on computational fluid dynamics (CFD). By comparison, such models are not as common for use with the direct simulation Monte Carlo (DSMC) method. In this study, a high fidelity, state-resolved vibrational relaxation model is developed for the DSMC technique. The model is based on the forced harmonic oscillator approach in which multi-quantum transitions may become dominant at high temperature. Results obtained for integrated rate coefficients from the DSMC model are consistent with the corresponding CFD model. Comparison of relaxation results obtained with the high-fidelity DSMC model shows significantly less excitation of upper vibrational levels in comparison to the standard, lower fidelity DSMC vibrational relaxation model. Application of the new DSMC model to a Mach 7 normal shock wave in carbon monoxide provides better agreement with experimental measurements than the standard DSMC relaxation model.
Gidlöf-Gunnarsson, Anita; Ögren, Mikael; Jerson, Tomas; Öhrström, Evy
2012-01-01
Internationally accepted exposure-response relationships show that railway noise causes less annoyance than road traffic and aircraft noise. Railway transport, both passenger and freight transport, is increasing, and new railway lines are planned for environmental reasons. The combination of more frequent railway traffic and faster and heavier trains will, most probably, lead to more disturbances from railway traffic in the near future. To effectively plan for mitigations against noise and vibration from railway traffic, new studies are needed to obtain a better basis of knowledge. The main objectives of the present study was to investigate how the relationship between noise levels from railway traffic and general annoyance is influenced by (i) number of trains, (ii) the presence of ground borne vibrations, and (iii) building situational factors, such as orientation of balcony/patio and bedroom window. Socio-acoustic field studies were executed in residential areas; (1) with relatively intense railway traffic; (2) with strong vibrations, and; (3) with the most intense railway traffic in the country. Data was obtained for 1695 respondents exposed to sound levels ranging from L(Aeq,24h) 45 to 65 dB. Both number of trains and presence of ground-borne vibrations, and not just the noise level per se, are of relevance for how annoying railway noise is perceived. The results imply that, for the proportion annoyed to be equal, a 5 - 7 dB lower noise level is needed in areas where the railway traffic causes strong ground-borne vibrations and in areas with a very large number of trains. General noise annoyance was twice as high among residents in dwellings with balcony / patio oriented towards the railway and about 1.5 times higher among residents with bedroom windows facing the railway.
Directory of Open Access Journals (Sweden)
Anita Gidlöf-Gunnarsson
2012-01-01
Full Text Available Internationally accepted exposure-response relationships show that railway noise causes less annoyance than road traffic and aircraft noise. Railway transport, both passenger and freight transport, is increasing, and new railway lines are planned for environmental reasons. The combination of more frequent railway traffic and faster and heavier trains will, most probably, lead to more disturbances from railway traffic in the near future. To effectively plan for mitigations against noise and vibration from railway traffic, new studies are needed to obtain a better basis of knowledge. The main objectives of the present study was to investigate how the relationship between noise levels from railway traffic and general annoyance is influenced by (i number of trains, (ii the presence of ground borne vibrations, and (iii building situational factors, such as orientation of balcony/patio and bedroom window. Socio-acoustic field studies were executed in residential areas; (1 with relatively intense railway traffic; (2 with strong vibrations, and; (3 with the most intense railway traffic in the country. Data was obtained for 1695 respondents exposed to sound levels ranging from L Aeq,24h 45 to 65 dB. Both number of trains and presence of ground-borne vibrations, and not just the noise level per se, are of relevance for how annoying railway noise is perceived. The results imply that, for the proportion annoyed to be equal, a 5 - 7 dB lower noise level is needed in areas where the railway traffic causes strong ground-borne vibrations and in areas with a very large number of trains. General noise annoyance was twice as high among residents in dwellings with balcony / patio oriented towards the railway and about 1.5 times higher among residents with bedroom windows facing the railway.
Reduction of Ground Vibration by Means of Barriers or Soil Improvement along a Railway Track
DEFF Research Database (Denmark)
Andersen, Lars; Nielsen, Søren R.K.
2005-01-01
Trains running in built-up areas are a source to ground-borne noise. A careful design of the track may be one way of minimizing the vibrations in the surroundings. For example, open or infilled trenches may be constructed along the track, or the soil underneath the track may be improved. In this ......Trains running in built-up areas are a source to ground-borne noise. A careful design of the track may be one way of minimizing the vibrations in the surroundings. For example, open or infilled trenches may be constructed along the track, or the soil underneath the track may be improved...... the vehicle. The computations are carried out in the frequency domain for various combinations of the vehicle speed and the excitation frequency. The analyses indicate that open trenches are more efficient than infilled trenches or soil stiffening–even at low frequencies. However, the direction of the load...
Objectives and Progress on Integrated Vehicle Ground Vibration Testing for the Ares Launch Vehicles
Tuma, Margaret L.; Asloms. Brice R.
2009-01-01
As NASA begins design and development of the Ares launch vehicles to replace the Space Shuttle and explore beyond low Earth orbit, Integrated Vehicle Ground Vibration Testing (IVGVT) will be a vital component of ensuring that those vehicles can perform the missions assigned to them. A ground vibration test (GVT) is intended to measure by test the fundamental dynamic characteristics of launch vehicles during various phases of flight. During the series of tests, properties such as natural frequencies, mode shapes, and transfer functions are measured directly. This data is then used to calibrate loads and control systems analysis models for verifying analyses of the launch vehicle. The Ares Flight & Integrated Test Office (FITO) will be conducting IVGVT for the Ares I crew launch vehicle at Marshall Space Flight Center (MSFC) from 2011 to 2012 using the venerable Test Stand (TS) 4550, which supported similar tests for the Saturn V and Space Shuttle vehicle stacks.
Institute of Scientific and Technical Information of China (English)
Xia He; Chen Jianguo; Wei Pengbo; Xia Chaoyi; G. De Roeck; G. Degrande
2009-01-01
In this paper, a field experiment was carried out to study train-induced environmental vibrations. During the field experiment, velocity responses were measured at different locations of a six-story masonry structure near the Beijing- Guangzhou Railway and along a small road adjacent to the building. The results show that the velocity response levels of the environmental ground and the building floors increase with train speed, and attenuate with the distance to the railway track. Heavier freight trains induce greater vibrations than lighter passenger trains. In the multi-story building, the lateral velocity levels increase monotonically with floor elevation, while the vertical ones increase with floor elevation in a fluctuating manner. The indoor floor vibrations are much lower than the outdoor ground vibrations. The lateral vibration of the building along the direction of weak structural stiffness is greater than along the direction with stronger stiffness. A larger room produces greater floor vibrations than the staircase at the same elevation, and the vibration at the center of a room is greater than at its comer. The vibrations of the building were compared with the Federal Transportation Railroad Administration (FTA) criteria for acceptable ground-borne vibrations expressed in terms ofrms velocity levels in decibels. The results show that the train-induced building vibrations are serious, and some exceed the allowance given in relevant criterion.
Structural and vibrational spectroscopic elucidation of sulpiride in solid state.
Kecel-Gunduz, Serda; Celik, Sefa; Ozel, Aysen E; Akyuz, Sevim
2015-01-01
The study on the conformational and vibrational behaviors of sulpiride molecule which is known as a neuroleptic or antipsychotic drug that is widely used clinically in the treatment of schizophrenic or depressive disorders is an important scientific and practical task. In here, a careful enough study of monomer and dimeric forms of sulpiridine {5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl) ethyl]-2-methoxy-benzamide (C(15)H(23)N(3)O(4)S)} is undertaken by density functional theory (DFTB3LYP) method with the B3LYP/6-31 G(d,p) basis set. The conformations of free molecule were searched by means of torsion potential energy surfaces scan studies through dihedral angles D1 (8 N, 18 C, 20 C, 23 N), D2 (18 C, 20 C, 23 N, 25 C) and D3 (28 C, 30 C, 41 S, 44 N) in electronically ground state, employing 6-31 G basic set. The final geometrical parameters for the obtained stable conformers were determined by means of geometry optimization, carried out at DFT/B3LYP/6-31 G(d,p) theory level. Afterwards, the possible dimer forms of the molecule were formed and their energetically preferred conformations were investigated. Moreover, the effect of basis set superposition error on the structure and energy of the three energetically favourable sulpiride dimers has been determined. The optimized structural parameters of the most stable monomer and three low energy dimer forms were used in the vibrational wavenumber calculations. Raman and IR (4000-400 cm(-1)) spectra of sulpiride have been recorded in the solid state. The assignment of the bands was performed based on the potential energy distribution data. The natural bond orbital analysis has been performed on both monomer and dimer geometries in order to elucidate delocalization of electron density within the molecule. The predicted frontier molecular orbital energies at DFT/B3LYP/6-31 G(d,p) theory level show that charge transfer occurs within the molecule. The first-order hyperpolarizability (β0) and related properties (μ and
A simplified method for identification of the vibrational series of long-range states in Na{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Vivanco, F.J.; Paiva, R.R. de; Pedrozo-Peñafiel, E.; Farias, K.M.; Bagnato, V.S., E-mail: franklinze@gmail.com [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Instituto de Fisica
2015-06-15
We performed two-color photoassociative ionization experiments in cold sodium atoms in a dark MOT. We produce a sample where most of the atoms were in the ground hyperfine state F=1. Applying a laser with variable frequency, in the region of 0 to - 32 GHz, we obtained a photoassociative spectra containing sequences of different long-range potentials. Using the scaling law for intermediate states, we identified the vibrational series of involved states, separating the sequences. In this way, we have identified the vibrational series for the 1{sub g}, 0{sup +}{sub u}, and 0{sup -}{sub g} states contributions. (author)
NPP planning based on analysis of ground vibration caused by collapse of large-scale cooling towers
Energy Technology Data Exchange (ETDEWEB)
Lin, Feng; Ji, Hongkui [Department of Structural Engineering, Tongji University, No. 1239 Siping Road, Shanghai 200092 (China); Gu, Xianglin, E-mail: gxl@tongji.edu.cn [Department of Structural Engineering, Tongji University, No. 1239 Siping Road, Shanghai 200092 (China); Li, Yi [Department of Structural Engineering, Tongji University, No. 1239 Siping Road, Shanghai 200092 (China); Wang, Mingreng; Lin, Tao [East China Electric Power Design Institute Co., Ltd, No. 409 Wuning Road, Shanghai 200063 (China)
2015-12-15
Highlights: • New recommendations for NPP planning were addressed taking into account collapse-induced ground vibration. • Critical factors influencing the collapse-induced ground vibration were investigated. • Comprehensive approach was presented to describe the initiation and propagation of collapse-induced disaster. - Abstract: Ground vibration induced by collapse of large-scale cooling towers can detrimentally influence the safe operation of adjacent nuclear-related facilities. To prevent and mitigate these hazards, new planning methods for nuclear power plants (NPPs) were studied considering the influence of these hazards. First, a “cooling tower-soil” model was developed, verified, and used as a numerical means to investigate ground vibration. Afterwards, five critical factors influencing collapse-induced ground vibration were analyzed in-depth. These influencing factors included the height and weight of the towers, accidental loads, soil properties, overlying soil, and isolation trench. Finally, recommendations relating to the control and mitigation of collapse-induced ground vibration in NPP planning were proposed, which addressed five issues, i.e., appropriate spacing between a cooling tower and the nuclear island, control of collapse modes, sitting of a cooling tower and the nuclear island, application of vibration reduction techniques, and the influence of tower collapse on surroundings.
On the Lowest Ro-Vibrational States of Protonated Methane: Experiment and Analytical Model
Schmiedt, Hanno; Jensen, Per; Asvany, Oskar; Schlemmer, Stephan
2016-06-01
Protonated methane, CH_5^+, is the prototype of an extremely floppy molecule. To the best of our knowledge all barriers are surmountable in the rovibrational ground state; the large amount of zero-point vibrational energy leads to large amplitude motions for many degrees of freedom. Low resolution but broad band vibrational spectroscopy [1] revealed an extremely wide range of C-H stretching vibrations. Comparison with theoretical IR spectra supported the structural motif of a CH_3 tripod and an H_2 moiety, bound to the central carbon atom by a 3c2e bond. In a more dynamic picture the five protons surround the central carbon atom without significant restrictions on the H-C-H bending or H_n-C torsional motions. The large-amplitude internal motions preclude a simple theoretical description of the type possible for more conventional molecules, such as the related spherical-top methane molecule. Recent high-resolution ro-vibrational spectra obtained in cold ion trap experiments [2] show that the observed CH_5^+ transitions belong to a very well-defined energy level scheme describing the lowest rotational and vibrational states of this enigmatic molecule. Here we analyse the experimental ground state combination differences and associate them with the motional states of CH_5^+ allowed by Fermi-Dirac statistics. A model Hamiltonian for unrestricted internal rotations in CH_5^+ yields a simple analytical expression for the energy eigenvalues, expressed in terms of new quantum numbers describing the free internal rotation. These results are compared to the experimental combination differences and the validity of the model will be discussed together with the underlying assumptions. [1] O. Asvany, P. Kumar, I. Hegemann, B. Redlich, S. Schlemmer and D. Marx, Science 309, (2005) 1219-1222 [2] O. Asvany, K.M.T. Yamada, S. Brünken, A. Potapov, S. Schlemmer, Science 347 (2015) 1346-1349
Takano, K.; Ito, T.; Masuda, T.; Koketsu, K.; Ramancharla, P. K.; Sangam, R.; Bodige, N.; Dasari, H. C.
2014-12-01
Understanding the vulnerability of built environment in highly seismic areas is an important component of earthquake risk mitigation. As part of Indo-Japan collaborative research project (DISANET) sponsored by JST and JICA, six sets of building vibration sensors have been installed in the Union Territory of Chandigarh, India. The Union Territory of Chandigarh, India is located at South of the Himalayan Frontal Belt (HFT) is in zone IV of the seismic zone map of India (BIS, 2007). In past few decades, this area has experienced several minor earthquakes and a few moderate earthquakes. In spite of being in high seismic zone, most of the buildings in Chandigarh are designed and constructed for gravity loads only disregarding seismic forces. Such kind of buildings may deteriorate in strength even when they are subjected to minor earthquakes. To understand the response of buildings to micro-tremors, vibration sensors were installed in the building of Department of Geology of Panjab University in July 2012. Subsequently 5 more buildings were instrumented by January 2014. For each building, in order to capture the overall vibration of building during earthquake, vibration sensors of 8 or 10 units are installed to the ground floor, top floor and middle floor of the building. These sensors are continuously monitoring the building vibration and recording all data which include the weak ground motion occurring from near to far earthquakes. Through these sensors, over 20 minor ground motions have been recorded during last two years. Even in these weak ground motions, it was possible to confirm the state of the building response caused by earthquakes. In this presentation, we will introduce some building vibration records caused by the weak ground motion of the earthquakes and discuss the important insights drawn from analysis of recorded data.
Microwave spectroscopy of furfural in vibrationally excited states
Motiyenko, R. A.; Alekseev, E. A.; Dyubko, S. F.
2007-07-01
The results of microwave spectrum investigation of the excited vibrational states of furfural in the frequency range between 49 and 149 GHz are reported. In total 15 excited vibrational states (9 for trans-furfural and 6 for cis-furfural) were assigned and analyzed. Six of the 15 investigated states were assigned for the first time. Accurate values of rigid rotor and quartic centrifugal distortion constants of asymmetric top Hamiltonian have been determined for 13 excited states. Also for some states several sextic and octic level constants were needed in order to fit the data within experimental accuracy. The vt = 3 and vs = 1, va = 1 states of trans-furfural were found to be strongly perturbed and only rotational transitions with low Ka values can be reliably identified in this study.
Trajectory approach to the Schrödinger–Langevin equation with linear dissipation for ground states
Energy Technology Data Exchange (ETDEWEB)
Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw
2015-11-15
The Schrödinger–Langevin equation with linear dissipation is integrated by propagating an ensemble of Bohmian trajectories for the ground state of quantum systems. Substituting the wave function expressed in terms of the complex action into the Schrödinger–Langevin equation yields the complex quantum Hamilton–Jacobi equation with linear dissipation. We transform this equation into the arbitrary Lagrangian–Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation is simultaneously integrated with the trajectory guidance equation. Then, the computational method is applied to the harmonic oscillator, the double well potential, and the ground vibrational state of methyl iodide. The excellent agreement between the computational and the exact results for the ground state energies and wave functions shows that this study provides a synthetic trajectory approach to the ground state of quantum systems.
Alijah, Alexander
2015-01-01
Vibrational energies and wave functions of the triplet state of the H3+ ion have been determined. In the calculations, the ground and first excited triplet electronic states are included as well as the non-Born-Oppenheimer coupling between them. A diabatization procedure transforming the two adiabatic ab initio potential energy surfaces of the triplet-H3+ state into a 2x2 matrix is employed. The diabatization takes into account the non-Born-Oppenheimer coupling and the effect of the geometrical phase due to the conical intersection between the two adiabatic potential surfaces. The results are compared to the calculation involving only the lowest adiabatic potential energy surface of the triplet-H3+ ion and neglecting the geometrical phase. The energy difference between results with and without the non-adiabatic coupling and the geometrical phase is about a wave number for the lowest vibrational levels.
The polaron: Ground state, excited states, and far from equilibrium
Energy Technology Data Exchange (ETDEWEB)
Trugman, S.A. [Los Alamos National Lab., NM (United States). Theory Div.; Bonca, J. [Univ. of Ljubljana (Slovenia)]|[Jozef Stefan Inst., Ljubljana (Slovenia)
1998-12-01
The authors describe a variational approach for solving the Holstein polaron model with dynamical quantum phonons on an infinite lattice. The method is simple, fast, extremely accurate, and gives ground and excited state energies and wavefunctions at any momentum k. The method can also be used to calculate coherent quantum dynamics for inelastic tunneling and for strongly driven polarons far from equilibrium.
Thermodynamic Ground States of Complex Oxide Heterointerfaces
DEFF Research Database (Denmark)
Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.
2017-01-01
The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...... equilibrium conductivity measurements. We unambiguously identify two distinct classes of oxide heterostructures: For epitaxial perovskite/perovskite heterointerfaces (LaAlO3/SrTiO3, NdGaO3/SrTiO3, and (La,Sr)(Al,Ta)O3/SrTiO3), we find the 2DEG formation being based on charge transfer into the interface...
Superimposed particles in 1D ground states
Energy Technology Data Exchange (ETDEWEB)
Sueto, Andras, E-mail: suto@szfki.hu [Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, PO Box 49, H-1525 Budapest (Hungary)
2011-01-21
For a class of nonnegative, range-1 pair potentials in one-dimensional continuous space we prove that any classical ground state of lower density {>=}1 is a tower-lattice, i.e. a lattice formed by towers of particles the heights of which can differ only by 1, and the lattice constant is 1. The potential may be flat or may have a cusp at the origin; it can be continuous, but its derivative has a jump at 1. The result is valid on finite intervals or rings of integer length and on the whole line.
The Potential Energy Surface for the Electronic Ground State of H 2Se Derived from Experiment
Jensen, P.; Kozin, I. N.
1993-07-01
The present paper reports a determination of the potential energy surface for the electronic ground state of the hydrogen selenide molecule through a direct least-squares fitting to experimental data using the MORBID (Morse oscillator rigid bender internal dynamics) approach developed by P. Jensen [ J. Mol. Spectrosc.128, 478-501 (1988); J. Chem. Soc. Faraday Trans. 284, 1315-1340 (1988)]. We have fitted a selection of 303 rotation-vibration energy spacings of H 280Se, D 280Se, and HD 80Se involving J ≤ 5 with a root-mean-square deviation of 0.0975 cm -1 for the rotational energy spacings and 0.268 cm -1 for the vibrational spacings. In the fitting, 14 parameters were varied. On the basis of the fitted potential surface we have studied the cluster effect in the vibrational ground state of H 2Se, i.e., the formation of nearly degenerate, four-member groups of rotational energy levels [see I. N. Kozin, S. Klee, P. Jensen, O. L. Polyansky, and I. M. Pavlichenkov. J. Mol. Spectrosc., 158, 409-422 (1993), and references therein]. The cluster formation becomes more pronounced with increasing J. For example, four-fold clusters formed in the vibrational ground state of H 280Se at J = 40 are degenerate to within a few MHz. Our predictions of the D 280Se energy spectrum show that for this molecule, the cluster formation is displaced towards higher J values than arc found for H 280Se. In the vibrational ground state, the qualitative deviation from the usual rigid rotor picture starts at J = 12 for H 280Se and at J = 18 for D 280Se, in full agreement with predictions from semiclassical theory. An interpretation of the cluster eigenstates is discussed.
Transformation of Ground Vibration Signal for Debris-Flow Monitoring and Detection in Alarm Systems
Directory of Open Access Journals (Sweden)
José Moya
2012-04-01
Full Text Available Debris flows are fast mass movements formed by a mix of water and solid materials, which occur in steep torrents, and are a source of high risks for human settlements. Geophones are widely used to detect the ground vibration induced by passing debris flows. However, the recording of geophone signals usually requires storing a huge amount of data, which leads to problems in storage capacity and power consumption. This paper presents a method to transform and simplify the signals measured by geophones. The key input parameter is the ground velocity threshold, which removes the seismic noise that is not related to debris flows. A signal conditioner was developed to implement the transformation and the ground velocity threshold was set by electrical resistors. The signal conditioner was installed at various European monitoring sites to test the method. Results show that data amount and power consumption can be greatly reduced without losing much information on the main features of the debris flows. However, the outcome stresses the importance of choosing a ground vibration threshold, which must be accurately calibrated. The transformation is also suitable to detect other rapid mass movements and to distinguish among different processes, which points to a possible implementation in alarm systems.
Transformation of ground vibration signal for debris-flow monitoring and detection in alarm systems.
Abancó, Clàudia; Hürlimann, Marcel; Fritschi, Bruno; Graf, Christoph; Moya, José
2012-01-01
Debris flows are fast mass movements formed by a mix of water and solid materials, which occur in steep torrents, and are a source of high risks for human settlements. Geophones are widely used to detect the ground vibration induced by passing debris flows. However, the recording of geophone signals usually requires storing a huge amount of data, which leads to problems in storage capacity and power consumption. This paper presents a method to transform and simplify the signals measured by geophones. The key input parameter is the ground velocity threshold, which removes the seismic noise that is not related to debris flows. A signal conditioner was developed to implement the transformation and the ground velocity threshold was set by electrical resistors. The signal conditioner was installed at various European monitoring sites to test the method. Results show that data amount and power consumption can be greatly reduced without losing much information on the main features of the debris flows. However, the outcome stresses the importance of choosing a ground vibration threshold, which must be accurately calibrated. The transformation is also suitable to detect other rapid mass movements and to distinguish among different processes, which points to a possible implementation in alarm systems.
Park, G Barratt; Jiang, Jun; Saladrigas, Catherine A; Field, Robert W
2016-04-14
The C̃ (1)B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X̃ state are vibronically forbidden. We use IR-UV double resonance to observe the b2 vibrational levels of the C̃ state below 1600 cm(-1) of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results from the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a1 and b2 vibrational symmetry and to determine accurately the vibrational dependence of the rotational constants in the distorted C̃ electronic state.
Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.; Field, Robert W.
2016-04-01
The C ˜ 1B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ˜ state are vibronically forbidden. We use IR-UV double resonance to observe the b2 vibrational levels of the C ˜ state below 1600 cm-1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results from the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a1 and b2 vibrational symmetry and to determine accurately the vibrational dependence of the rotational constants in the distorted C ˜ electronic state.
Ground-state structures of Hafnium clusters
Energy Technology Data Exchange (ETDEWEB)
Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technoloty, Multimedia University, Melaca Campus, 75450 Melaka (Malaysia)
2015-04-24
Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.
New ground state for quantum gravity
Magueijo, Joao
2012-01-01
In this paper we conjecture the existence of a new "ground" state in quantum gravity, supplying a wave function for the inflationary Universe. We present its explicit perturbative expression in the connection representation, exhibiting the associated inner product. The state is chiral, dependent on the Immirzi parameter, and is the vacuum of a second quantized theory of graviton particles. We identify the physical and unphysical Hilbert sub-spaces. We then contrast this state with the perturbed Kodama state and explain why the latter can never describe gravitons in a de Sitter background. Instead, it describes self-dual excitations, which are composites of the positive frequencies of the right-handed graviton and the negative frequencies of the left-handed graviton. These excitations are shown to be unphysical under the inner product we have identified. Our rejection of the Kodama state has a moral tale to it: the semi-classical limit of quantum gravity can be the wrong path for making contact with reality (w...
Cartmell, Matthew P.
2016-09-01
The Editor wishes to make the reader aware that the paper "A new method for predicting nonlinear structural vibrations induced by ground impact loading" by Jun Liu, Yu Zhang, Bin Yun, Journal of Sound and Vibration, 331 (2012) 2129-2140, did not contain a direct citation of the fundamental and original work in this field by Dr. Mark Svinkin. The Editor regrets that this omission was not noted at the time that the above paper was accepted and published.
Ground-State Cooling of a Mechanical Oscillator by Interference in Andreev Reflection
Stadler, P.; Belzig, W.; Rastelli, G.
2016-11-01
We study the ground-state cooling of a mechanical oscillator linearly coupled to the charge of a quantum dot inserted between a normal metal and a superconducting contact. Such a system can be realized, e.g., by a suspended carbon nanotube quantum dot with a capacitive coupling to a gate contact. Focusing on the subgap transport regime, we analyze the inelastic Andreev reflections which drive the resonator to a nonequilibrium state. For small coupling, we obtain that vibration-assisted reflections can occur through two distinct interference paths. The interference determines the ratio between the rates of absorption and emission of vibrational energy quanta. We show that ground-state cooling of the mechanical oscillator can be achieved for many of the oscillator's modes simultaneously or for single modes selectively, depending on the experimentally tunable coupling to the superconductor.
3D analysis of in-filled trench as passive barriers for ground vibration isolation
Institute of Scientific and Technical Information of China (English)
2008-01-01
The three-dimensional (3D) problem of the ground vibration isolation by an in-filled trench as a passive barrier is studied theoretically. Integral equations governing Rayleigh wave scattering are derived based on the Green’s solution of Lamb prob-lem. The integral equations are solved accurately and efficiently with an iteration technique. They are used to evaluate the complicated Rayleigh wave field gener-ated by irregular scatterers embedded in an elastic half-space solid. The passive isolation effectiveness of ground vibration by the in-filled trench for screening Rayleigh wave is further studied in detail. Effects of relevant parameters on the effectiveness of vibration isolation are investigated and presented. The results show that a trench filled with stiff backfill material gets a better isolation effect than a soft one, and increasing the depth or width of the in-filled trench also improves its screening effectiveness. The effectiveness and the area of the screened zone are surging with the increase in the length of the in-filled trench.
Krylov, Victor V
2015-01-01
In the present paper, the effects of focusing of Rayleigh waves generated by high speed trains in the supporting ground under the condition of ground vibration boom are considered theoretically. These effects are similar to the effects of focusing of sound waves radiated by aircraft under the condition of sonic boom. In particular, if a railway track has a bend to provide the possibility of changing direction of train movement, the Rayleigh surface waves generated by high-speed trains under the condition of ground vibration boom may become focused. This results in concentration of their energy along a simple caustic line at one side of the track and in the corresponding increase in ground vibration amplitudes. The effect of focusing of Rayleigh waves may occur also if a train moves along a straight line with acceleration and its current speed is higher than Rayleigh wave velocity in the ground. The obtained results are illustrated by numerical calculations.
Evaluation of the vehicle state with vibration-based diagnostics methods
Gai, V. E.; Polyakov, I. V.; Krasheninnikov, M. S.; Koshurina, A. A.; Dorofeev, R. A.
2017-02-01
Timely detection of a trouble in the mechanisms work is a guarantee of the stable operation of the entire machine complex. It allows minimizing unexpected losses, and avoiding any injuries inflicted on working people. The solution of the problem is the most important for vehicles and machines, working in remote areas of the infrastructure. All-terrain vehicles can be referred to such type of transport. The potential object of application of the described methodology is the multipurpose rotary-screw amphibious vehicle for rescue; reconnaissance; transport and technological operations. At the present time, there is no information on the use of these kinds of systems in ground-based vehicles. The present paper is devoted to the state estimation of a mechanism based on the analysis of vibration signals produced by the mechanism, in particular, the vibration signals of rolling bearings. The theory of active perception was used for the solution of the problem of the state estimation.
An ab initio potential energy surface and vibrational states of MgH2(1(1)A').
Li, Hui; Xie, Daiqian; Guo, Hua
2004-09-01
A three-dimensional global potential energy surface for the ground electronic state of MgH(2) is constructed from more than 3000 ab initio points calculated using the internally contracted multireference configuration interaction method with the Davidson correction at the complete basis set limit. Low-lying vibrational energy levels of MgH(2) and MgD(2) are calculated using the Lanczos algorithm, and found to be in good agreement with known experimental band origins. The majority of the vibrational energy levels up to 8000 cm(-1) are assigned with normal mode quantum numbers. However, our results indicate a gradual transition from a normal mode regime for the stretching vibrations at low energies to a local mode regime near 7400 cm(-1), as evidenced by a decreasing energy gap between the (n(1),0,0) and (n(1)-1,0,1) vibrational states and bifurcation of the corresponding wave functions.
On large amplitude motions of simplest amides in the ground and excited electronic states
Tukachev, N. V.; Bataev, V. A.; Godunov, I. A.
2016-12-01
For the formamide, acetamide, N-methylformamide and N-methylacetamide molecules in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states equilibrium geometry parameters, harmonic vibrational frequencies, barriers to conformational transitions and conformer energy differences were estimated by means of MP2, CCSD(T), CASSCF, CASPT2 and MRCI ab initio methods. One-, two- and three-dimensional potential energy surface (PES) sections corresponding to different large amplitude motions (LAM) were calculated by means of MP2/aug-cc-pVTZ (S0) and CASPT2/cc-pVTZ (S1,T1). For these molecules, in each excited electronic state six minima were found on 2D PES sections. Using PES sections, different anharmonic vibrational problems were solved and the frequencies of large amplitude vibrations were determined.
Ainalis, Daniel; Kaufmann, Olivier; Tshibangu, Jean-Pierre; Verlinden, Olivier; Kouroussis, Georges
2017-01-01
The mining and construction industries have long been faced with considerable attention and criticism in regard to the effects of blasting. The generation of ground vibrations is one of the most significant factors associated with blasting and is becoming increasingly important as mining sites are now regularly located near urban areas. This is of concern to not only the operators of the mine but also residents. Mining sites are subjected to an inevitable compromise: a production blast is designed to fragment the utmost amount of rock possible; however, any increase in the blast can generate ground vibrations which can propagate great distances and cause structural damage or discomfort to residents in surrounding urban areas. To accurately predict the propagation of ground vibrations near these sensitive areas, the blasting process and surrounding environment must be characterised and understood. As an initial step, an accurate model of the source of blast-induced vibrations is required. This paper presents a comprehensive review of the approaches to model the blasting source in order to critically evaluate developments in the field. An overview of the blasting process and description of the various factors which influence the blast performance and subsequent ground vibrations are also presented. Several approaches to analytically model explosives are discussed. Ground vibration prediction methods focused on seed waveform and charge weight scaling techniques are presented. Finally, numerical simulations of the blasting source are discussed, including methods to estimate blasthole wall pressure time-history, and hydrodynamic codes.
Ground state of high-density matter
Copeland, ED; Kolb, Edward W.; Lee, Kimyeong
1988-01-01
It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.
Ground State Properties of Neutron Magic Nuclei
Saxena, G
2016-01-01
A systematic study of the ground state properties of the entire chains of even even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82 and 126 has been carried out using relativistic mean field (rmf) plus Bardeen Cooper Schrieffer (BCS) approach. Our present investigation includes deformation, binding energy, two proton separation energy, single particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using non relativistic approach (Skyrme Hartree Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip lines, the (Z,N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.
Thermodynamic ground states of platinum metal nitrides
Energy Technology Data Exchange (ETDEWEB)
Aberg, D; Sadigh, B; Crowhurst, J; Goncharov, A
2007-10-09
We have systematically studied the thermodynamic stabilities of various phases of the nitrides of the platinum metal elements using density functional theory. We show that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability can extend up to 17 GPa for PtN{sub 2}. Furthermore, we show that according to calculations using the local density approximation, these new compounds are also thermodynamically stable at ambient pressure and thus may be the ground state phases for these materials. We further discuss the fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures.
Dompka, R. V.
1989-01-01
Under the NASA-sponsored Design Analysis Methods for VIBrationS (DAMVIBS) program, a series of ground vibration tests and NASTRAN finite element model (FEM) correlations were conducted on the Bell AH-1G helicopter gunship to investigate the effects of difficult components on the vibration response of the airframe. Previous correlations of the AH-1G showed good agreement between NASTRAN and tests through 15 to 20 Hz, but poor agreement in the higher frequency range of 20 to 30 Hz. Thus, this effort emphasized the higher frequency airframe vibration response correlations and identified areas that need further R and T work. To conduct the investigations, selected difficult components (main rotor pylon, secondary structure, nonstructural doors/panels, landing gear, engine, fuel, etc.) were systematically removed to quantify their effects on overall vibratory response of the airframe. The entire effort was planned and documented, and the results reviewed by NASA and industry experts in order to ensure scientific control of the testing, analysis, and correlation exercise. In particular, secondary structure and damping had significant effects on the frequency response of the airframe above 15 Hz. Also, the nonlinear effects of thrust stiffening and elastomer mounts were significant on the low frequency pylon modes below main rotor 1p (5.4 Hz). The results of the ground vibration testing are presented.
Koroma, S. G.; Thompson, D. J.; Hussein, M. F. M.; Ntotsios, E.
2017-07-01
This paper presents a methodology for studying ground vibration in which the railway track is modelled in the space-time domain using the finite element method (FEM) and, for faster computation, discretisation of the ground using either FEM or the boundary element method (BEM) is avoided by modelling it in the wavenumber-frequency domain. The railway track is coupled to the ground through a series of rectangular strips located at the surface of the ground; their vertical interaction is described by a frequency-dependent dynamic stiffness matrix whose elements are represented by discrete lumped parameter models. The effectiveness of this approach is assessed firstly through frequency domain analysis using as excitation a stationary harmonic load applied on the rail. The interaction forces at the ballast/ground interface are calculated using the FE track model in the space-time domain, transformed to the wavenumber domain, and used as input to the ground model for calculating vibration in the free field. Additionally, time domain simulations are also performed with the inclusion of nonlinear track parameters. Results are presented for the coupled track/ground model in terms of time histories and frequency spectra for the track vibration, interaction forces and free-field ground vibration. For the linear track model, the results from the mixed formulation are in excellent agreement with those from a semi-analytical model formulated in the wavenumber-frequency domain, particularly in the vicinity of the loading point. The accuracy of the mixed formulation away from the excitation point depends strongly on the inclusion of through-ground coupling in the lumped parameter model, which has been found to be necessary for both track dynamics and ground vibration predictions.
Influence of state-to-state vibrational distributions on transport coefficients of a single gas
Kustova, Elena V.; Kremer, Gilberto M.
2016-11-01
In this work the influence of the size of vibrationally and rotationally excited molecules on the collision integrals required for the calculation of state-to-state transport coefficients is discussed. Several diatomic molecules are considered: N2, O2, NO, H2, Cl2. It is shown that whereas the molecular size is not affected by rotational excitation, it strongly depends on the vibrational state. Particular emphasis is given to the shear viscosity and thermal conductivity coefficients calculated in the temperature range 2 500-20 000 K for equilibrium Boltzmann vibrational distributions. It is shown that under conditions of local thermal equilibrium, the effect of vibrational excitation on the shear viscosity and thermal conductivity coefficients are found to be negligible for temperatures below 5 000 K, except for the case of Cl2 molecule where at 5 000 K the effect is about 10%. For T > 10 000 K, the contribution of excited states becomes important and reaches 10-25%.
Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng
2016-06-01
Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)
Kobayashi, K.; Sakai, Y.; Sasaki, M.; Kakimoto, S.; Takano, S.
2013-10-01
The spectral lines of methyl formate in the second torsional excited state were identified in Orion KL for the first time as well as the ground and the first torsional excited state. This identification was made it possible by the recent laboratory microwave spectroscopic study. It was found that the vibrational temperature is twice as large as the rotational temperature. The difference may be attributed to the collision with H2 and/or far infrared pumping.
Drews, Björn; Jachymski, Krzysztof; Idziaszek, Zbigniew; Denschlag, Johannes Hecker
2016-01-01
Exploring inelastic and reactive collisions on the quantum level is a main goal of the developing field of ultracold chemistry. We present first experimental studies of inelastic collisions of metastable ultracold triplet molecules in the vibrational ground state. The measurements are performed with nonpolar Rb$_2$ dimers which are prepared in precisely-defined quantum states and trapped in an array of quasi-1D potential tubes. We investigate collisions of molecules in the lowest triplet energy level where any inelastic process requires a relaxation to the singlet state. These are compared to two sets of collision experiments, carried out either with triplet molecules that have two quanta of rotational angular momentum or with vibrationally highly excited Feshbach molecules. We find no evidence for suppression of the inelastic collisions due to the necessary spin-flip, shedding light on this so far unsettled issue. For each of the molecular states studied here, we extract the decay rate constant and compare t...
Excitation of the lowest CO2 vibrational states by electrons in hypersonic boundary layers
Armenise, I.
2017-07-01
The state-to-state vibrational kinetics of a CO2/O2/CO/C/O/e- mixture in a hypersonic boundary layer under conditions compatible with the Mars re-entry is studied. The model adopted treats three CO2 modes (the two degenerated bending modes are approximated as a unique one) as not independent ones. Vibrational-translational transitions in the bending mode, inter-mode exchanges within CO2 molecule and between molecules of different chemical species as well as dissociation-recombination reactions are considered. Attention is paid to the electron-CO2 collisions that cause transitions from the ground vibrational state, CO2(0,0,0), to the first excited ones, CO2(1,0,0), CO2(0,1,0) and CO2(0,0,1). The corresponding processes rate coefficients are obtained starting from the electron energy distribution function, calculated either as an equilibrium Boltzmann distribution at the local temperature or by solving the Boltzmann equation. Results obtained either neglecting or including in the kinetic scheme the electron-CO2 collisions are compared and explained by analysing the rate coefficients of the electron-CO2 collisions.
Suo, Bingbing; Han, Huixian
2014-01-01
We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest states for four spin-orbit components 1/2, 3/2, 5/2, and 7/2 are calculated intensively to clarify the ground state of IrO. Our calculation suggests that the ground state is of 1/2 spin-orbit component, which is highly mixed with $^4\\Sigma^-$ and $^2\\Pi$ states in $\\Lambda-S$ notation. The two low-lying states of the 5/2 and 7/2 spin-orbit components are nearly degenerate with the ground state and locate only 234 and 260 cm$^{-1}$ above, respectively. The equilibrium bond length 1.712 \\AA \\ and harmonic vibrational frequency 903 cm$^{-1}$ of the 5/2 spin-orbit component are close to the experimental measurement of 1.724 \\AA \\ and 909 cm$^{-1}$, which suggests the 5/2 state should be the low-lying state contributed to spectra in experimental study. Moreover, the electronic states that give rise to the observed trans...
Ground-State Transition in a Two-Dimensional Frenkel-Kontorova Model
Institute of Scientific and Technical Information of China (English)
YUAN Xiao-Ping; ZHENG Zhi-Gang
2011-01-01
The ground state of a generalized Frenkel-Kontorova model with a transversaJ degree of freedom is studied. When the coupling strength, K, and the frequency of & single-Atom vibration in the transversaJ direction, ωou are increased, the ground state of the model undergoes a transition from a two-dimensional configuration to a one-dimensional one. This transition can manifest in different ways. Furthermore, we find that the prerequisite of a two-dimensionai ground state is θ≠1//q.%The ground state of a generalized Frenkel-Kontorova model with a transversal degree of freedom is studied.When the coupling strength,K,and the frequency of a single-atom vibration in the transversal direction,ωoy,are increased,the ground state of the model undergoes a transition from a two-dimensional configuration to a one-dimensional one.This transition can manifest in different ways.Furthermore,we find that the prerequisite of a two-dimensional ground state is θ ≠ 1/q.In recent years,the Frenkel-Kontorova (FK) model has been applied to a variety of physical systems,such as adsorbed monolayers,[1,2] Josephsonjunction arrays,[3-5] tribology[6-8] and charge-density waves.[9,10] Experimental and large-scale simulation data at the nanoscale have become available,and more complicated FK-type models have been investigated using simulations of molecular dynamics.[11
The dispersed fluorescence spectrum of NaAr - Ground and excited state potential curves
Tellinghuisen, J.; Ragone, A.; Kim, M. S.; Auerbach, D. J.; Smalley, R. E.; Wharton, L.; Levy, D. H.
1979-01-01
Potential curves for the ground state and the first excited state of NaAr were determined. The van der Waals molecule NaAr was prepared by supersonic free jet expansion of a mixture of sodium, argon, and helium. The electronic transition from the ground state to the first excited state A2pi was excited by a tunable dye laser and the resulting fluorescence was studied. The dispersed fluorescence spectra show discrete and diffuse features, corresponding to transitions from excited vibrational levels of the A state to bound and unbound levels of the x state. The characteristic reflection structure in the bound-free spectra permits an unambiguous assignment of the vibrational numbering in the A state, and this assignment together with previously measured spectroscopic constants are used to calculate the potential curve of the A state. The discrete structure in the fluorescence spectra is used to determine the potential curve of the x state in the well region, and the repulsive part of the X curve is then deduced through trial-and-error simulation of the bound-free spectra.
Transition from vibrational to rotational character in low-lying states of hypernuclei
Mei, H.; Hagino, K.; Yao, J. M.; Motoba, T.
2017-07-01
In order to clarify the nature of hypernuclear low-lying states, we carry out a comprehensive study of the structure of Λ 145-155Sm hypernuclei, which exhibit a transition from vibrational to rotational character as the neutron number increases. To this end, we employ a microscopic particle-core coupling scheme based on a covariant density functional theory. We find that the positive-parity ground-state band in the hypernuclei shares a similar structure to that of the corresponding core nucleus. That is, regardless of whether the core nucleus is spherical or deformed, each hypernuclear state is dominated by the single configuration of the Λ particle in the s1 /2 state (Λ s1 /2 ) coupled to one core state of the ground band. In contrast, the low-lying negative-parity states mainly consist of Λ p1 /2 and Λ p3 /2 configurations coupled to plural nuclear core states. We show that, while the mixing amplitude between these configurations is negligibly small in spherical and weakly deformed nuclei, it strongly increases as the core nucleus undergoes a transition to a well deformed shape, which is consistent with the Nilsson wave functions. We demonstrate that the structure of these negative-parity states with spin I can be well understood based on a naive L S coupling scheme, with total orbital angular momentum L =[I ⊗1 ] and spin angular momentum S =1 /2 .
State observers and Kalman filtering for high performance vibration isolation systems
Beker, M. G.; Bertolini, A.; van den Brand, J. F. J.; Bulten, H. J.; Hennes, E.; Rabeling, D. S.
2014-03-01
There is a strong scientific case for the study of gravitational waves at or below the lower end of current detection bands. To take advantage of this scientific benefit, future generations of ground based gravitational wave detectors will need to expand the limit of their detection bands towards lower frequencies. Seismic motion presents a major challenge at these frequencies and vibration isolation systems will play a crucial role in achieving the desired low-frequency sensitivity. A compact vibration isolation system designed to isolate in-vacuum optical benches for Advanced Virgo will be introduced and measurements on this system are used to present its performance. All high performance isolation systems employ an active feedback control system to reduce the residual motion of their suspended payloads. The development of novel control schemes is needed to improve the performance beyond what is currently feasible. Here, we present a multi-channel feedback approach that is novel to the field. It utilizes a linear quadratic regulator in combination with a Kalman state observer and is shown to provide effective suppression of residual motion of the suspended payload. The application of state observer based feedback control for vibration isolation will be demonstrated with measurement results from the Advanced Virgo optical bench suspension system.
State observers and Kalman filtering for high performance vibration isolation systems.
Beker, M G; Bertolini, A; van den Brand, J F J; Bulten, H J; Hennes, E; Rabeling, D S
2014-03-01
There is a strong scientific case for the study of gravitational waves at or below the lower end of current detection bands. To take advantage of this scientific benefit, future generations of ground based gravitational wave detectors will need to expand the limit of their detection bands towards lower frequencies. Seismic motion presents a major challenge at these frequencies and vibration isolation systems will play a crucial role in achieving the desired low-frequency sensitivity. A compact vibration isolation system designed to isolate in-vacuum optical benches for Advanced Virgo will be introduced and measurements on this system are used to present its performance. All high performance isolation systems employ an active feedback control system to reduce the residual motion of their suspended payloads. The development of novel control schemes is needed to improve the performance beyond what is currently feasible. Here, we present a multi-channel feedback approach that is novel to the field. It utilizes a linear quadratic regulator in combination with a Kalman state observer and is shown to provide effective suppression of residual motion of the suspended payload. The application of state observer based feedback control for vibration isolation will be demonstrated with measurement results from the Advanced Virgo optical bench suspension system.
Institute of Scientific and Technical Information of China (English)
Xue-cheng BIAN; Chang CHAO; Wan-feng JIN; Yun-min CHEN
2011-01-01
Dynamic responses of track structure and wave propagation in nearby ground vibration become significant when train operates on high speeds.A train-track-ground dynamic interaction analysis model based on the 2.5D finite element method is developed for the prediction of ground vibrations due to vertical track irregularities.The one-quarter car model is used to represent the train as lumped masses connected by springs.The embankment and the underlying ground are modeled by the 2.5D finite element approach to improve the computation efficiency.The Fourier transform is applied in the direction of train's movement to express the wave motion with a wave-number.The one-quarter car model is coupled into the global stiffness matrix describing the track-ground dynamic system with the displacement compatibility condition at the wheel-rail interface,including the irregularities on the track surface.Dynamic responses of the track and ground due to train's moving loads are obtained in the wave-number domain by solving the governing equation,using a conventional finite element procedure.The amplitude and wavelength are identified as two major parameters describing track irregularities.The irregularity amplitude has a direct impact on the vertical response for low-speed trains,both for short wavelength and long wavelength irregularities.Track irregularity with shorter wavelength can generate stronger track vibration both for low-speed and high-speed cases.For low-speed case,vibrations induced by track irregularities dominate far field responses.For high-speed case,the wavelength of track irregularities has very little effect on ground vibration at distances far from track center,and train's wheel axle weights becomes dominant.
Fourth-Order Vibrational Transition State Theory and Chemical Kinetics
Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.
2015-06-01
Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the ``gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.
López, A; Kisiel, Z; Daly, A M; Bermúdez, C; Calcutt, H; Marcelino, N; Viti, S; Drouin, B J; Medvedev, I R; Neese, C F; Pszczółkowski, L; Alonso, J L; Cernicharo, J
2014-01-01
New laboratory data of CH$_2$CHCN (vinyl cyanide) in its ground and vibrationally excited states at the microwave to THz domain allow searching for these excited state transitions in the Orion-KL line survey. Frequency-modulated spectrometers combined into a single broadband 50-1900 GHz spectrum provided measurements of CH$_2$CHCN covering a spectral range of 18-1893 GHz, whose assignments was confirmed by Stark modulation spectra in the 18-40 GHz region and by ab-initio anharmonic force field calculations. For analyzing the emission lines of CH$_2$CHCN species detected in Orion-KL we used the excitation and radiative transfer code (MADEX) at LTE conditions. The rotational transitions of the ground state of this molecule emerge from four cloud components of hot core nature which trace the physical and chemical conditions of high mass star forming regions in the Orion-KL Nebula. The total column density of CH$_2$CHCN in the ground state is (3.0$\\pm$0.9)x10$^{15}$ cm$^{-2}$. We report on the first interstellar ...
Numerical modelling of ground-borne noise and vibration in buildings due to surface rail traffic
Fiala, P.; Degrande, G.; Augusztinovicz, F.
2007-04-01
This paper deals with the numerical computation of the structural and acoustic response of a building to an incoming wave field generated by high-speed surface railway traffic. The source model consists of a moving vehicle on a longitudinally invariant track, coupled to a layered ground modelled with a boundary element formulation. The receiver model is based on a substructuring formulation and consists of a boundary element model of the soil and a finite element model of the structure. The acoustic response of the building's rooms is computed by means of a spectral finite element formulation. The paper investigates the structural and acoustic response of a multi-story portal frame office building up to a frequency of 150 Hz to the passage of a Thalys high-speed train at constant velocity. The isolation performance of three different vibration countermeasures: a floating-floor, a room-in-room, and base-isolation, are examined.
Koroleva, L. A.; Krasnoshchekov, S. V.; Matveev, V. K.; Pentin, Yu. A.
2016-08-01
The structural parameters of s- trans- and s- cis-isomers of a methacrolein molecule in the ground ( S 0) electronic state are determined by means of MP2 method with the cc-pVTZ basis set. Kinematic factor F(φ) is expanded in a Fourier series. The potential function of internal rotation (PFIR) of methacrolein in this state is built using experimental frequencies of transitions of the torsional vibration of both isomers, obtained from an analysis of the vibrational structure of the high-resolution UV spectrum with allowance for the geometry and difference between the energy (Δ H) of the isomers. It is shown that the V n parameters of the potential function of internal rotation of the molecule, built using the frequencies of the transition of the torsional vibrations of s- trans- and s- cis-isomers of the methacrolein molecule, determined from vibrational structure of the high-resolution UV spectrum and the FTIR spectrum, are close.
Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance
Li, Zhaokai; Chen, Hongwei; Lu, Dawei; Whitfield, James D; Peng, Xinhua; Aspuru-Guzik, Alán; Du, Jiangfeng
2011-01-01
Quantum ground-state problems are computationally hard problems; for general many-body Hamiltonians, there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating the ground state is available, as often happens for many problems in physics and chemistry, a quantum computer could employ this trial wavefunction to project the ground state by means of the phase estimation algorithm (PEA). We performed an experimental realization of this idea by implementing a variational-wavefunction approach to solve the ground-state problem of the Heisenberg spin model with an NMR quantum simulator. Our iterative phase estimation procedure yields a high accuracy for the eigenenergies (to the 10^-5 decimal digit). The ground-state fidelity was distilled to be more than 80%, and the singlet-to-triplet switching near the critical field is reliably captured. This result shows that quantum simulators can better leverage classical trial wavefunctions than c...
Godtliebsen, Ian H; Christiansen, Ove
2015-10-07
It is demonstrated how vibrational IR and Raman spectra can be calculated from damped response functions using anharmonic vibrational wave function calculations, without determining the potentially very many eigenstates of the system. We present an implementation for vibrational configuration interaction and vibrational coupled cluster, and describe how the complex equations can be solved using iterative techniques employing only real trial vectors and real matrix-vector transformations. Using this algorithm, arbitrary frequency intervals can be scanned independent of the number of excited states. Sample calculations are presented for the IR-spectrum of water, Raman spectra of pyridine and a pyridine-silver complex, as well as for the infra-red spectrum of oxazole, and vibrational corrections to the polarizability of formaldehyde.
Vibrational exciton-mediated quantum state transfert: a simple model
Pouthier, Vincent J C
2012-01-01
A communication protocol is proposed in which quantum state transfer is mediated by a vibrational exciton. We consider two distant molecular groups grafted on the sides of a lattice. These groups behave as two quantum computers where the information in encoded and received. The lattice plays the role of a communication channel along which the exciton propagates and interacts with a phonon bath. Special attention is paid for describing the system involving an exciton dressed by a single phonon mode. The Hamiltonian is thus solved exactly so that the relevance of the perturbation theory is checked. Within the nonadiabatic weak-coupling limit, it is shown that the system supports three quasi-degenerate states that define the relevant paths followed by the exciton to tunnel between the computers. When the model parameters are judiciously chosen, constructive interferences take place between these paths. Phonon-induced decoherence is minimized and a high-fidelity quantum state transfer occurs over a broad temperat...
Rotational spectra of HCCCN in some excited vibrational states
Yamada, Koichi M. T.; Creswell, R. A.
1986-04-01
The rotational spectra have been measured up to 220 GHz for HCCCN in excited vibrational states up to about 1000 cm -1; the states of ( v4, v5, v6, v7) = (0, 0, 0, 1), (0, 0, 0, 2), (0, 0, 0, 3), (0, 0, 0, 4), (0, 0, 1, 0), (0, 0, 1, 1), (0, 0, 1, 2), (0, 0, 2, 0), (0, 1, 0, 0), (0, 1, 0, 1), (1, 0, 0, 0), and (1, 0, 0, 1). Accurate molecular constants have been determined using an effective Hamiltonian newly proposed by K. M. T. Yamada, F. W. Birss, and M. R. Aliev ( J. Mol. Spectrosc.112, 347-356 (1985). By analyzing the anharmonic resonances, the unperturbed rotational constants for the v4 = 1 and for the v5 = 1 states were obtained as 4537.958(15) and 4550.6218(35) MHz, respectively.
The ground electronic state of KCs studied by Fourier transform spectroscopy
Ferber, R.; Klincare, I.; Nikolayeva, O.; Tamanis, M.; Knöckel, H.; Tiemann, E.; Pashov, A.
2008-06-01
We present here the first analysis of laser induced fluorescence (LIF) of the KCs molecule obtaining highly accurate data and perform a direct potential construction for the X 1Σ+ ground state in a wide range of internuclear distances. KCs molecules were produced by heating a mixture of K and Cs metals in a heat pipe at a temperature of about 270 °C. KCs fluorescence was induced by different laser sources: the 454.5, 457.9, 465.8, and 472.7 nm lines of an Ar+ laser, a dye laser with Rhodamine 6G dye (excitation at around 16 870 cm-1), and 850 and 980 nm diode lasers (11 500-11 900 and 10 200-10 450 cm-1 tuning ranges, respectively). The LIF to the ground state was recorded by a Bruker IFS-125HR Fourier transform spectrometer with a spectral resolution of 0.03 cm-1. Particularly, by applying the 850 nm laser diode we were able to observe LIF progressions to very high vibrational levels of the ground state close to the dissociation limit. The present data field contains 7226 term values for the ground state X 1Σ+ and covers a range from v''=0 to 97 with J'' varying from 12 to 209. More than 10 000 fluorescence lines were used to fit the ground state potential energy curve via the inverted perturbation approach procedure. The present empirical potential extends up to approximately 12.6 A˚ and covers more than 99% of the potential well depth, it describes most of the spectral lines with an accuracy of about 0.003 cm-1 and yields a dissociation energy of 4069.3+/-1.5 cm-1 for the ground state X 1Σ+. First observations of the triplet ground state a 3Σ+ of KCs are presented, and preliminary values of few main molecular constants could be derived.
Institute of Scientific and Technical Information of China (English)
E.Javadimanesh; H.Hassanabadi; A.A.Rajabi; H.Rahimov; S.Zarrinkamar
2012-01-01
We study the half-lives of some nuclei via the alpha-decay process from ground state to ground state. To go through the problem, we have considered a potential model with Yukawa proximity potential and have thereby calculated the half-lives. The comparison with the existing data is motivating.
Busker, Matthias; Nispel, Michael; Häber, Thomas; Kleinermanns, Karl; Etinski, Mihajlo; Fleig, Timo
2008-08-04
Electronic and vibrational gas phase spectra of 1-methylthymine (1MT) and 1-methyluracil (1MU) and their clusters with water are presented. Mass selective IR/UV double resonance spectra confirm the formation of pyrimidine-water clusters and are compared to calculated vibrational spectra obtained from ab initio calculations. In contrast to Y. He, C. Wu, W. Kong; J. Phys. Chem. A, 2004, 108, 94 we are able to detect 1MT/1MU and their water clusters via resonant two-photon delayed ionization under careful control of the applied water-vapor pressure. The long-living dark electronic state of 1MT and 1MU detected by delayed ionization, survives hydration and the photostability of 1MT/1MU cannot be attributed solely to hydration. Oxygen coexpansions and crossed-beam experiments indicate that the triplet state population is probably small compared to the (1)n pi* and/or hot electronic ground state population. Ab initio theory shows that solvation of 1MT by water does not lead to a substantial modification of the electronic relaxation and quenching of the (1)n pi* state. Relaxation pathways via (1)pi pi*(1)-n pi*(1) and (1)pi pi*-S(0) conical intersections and barriers have been identified, but are not significantly altered by hydration.
The Microwave Spectroscopy of Aminoacetonitrile in the Vibrational Excited State
Fujita, Chiho; Ozeki, Hiroyuki; Kobayashi, Kaori
2015-06-01
Aminoacetonitrile (NH_2CH_2CN) is a potential precursor of the simplest amino acid, glycine and was detected toward SgrB2(N). It is expected that the strongest transitions will be found in the terahertz region so that we have extended measurements up to 1.3 THz. This study gave an accurate prediction of aminoacetonitrile up to 2 THz which is useful for astronomically search. This molecule has a few low-lying vibrational excited states and the pure rotational transitions in these vibrational excited states are expected to found. We found a series of transitions with intensity of about 30%. Eighty-eight spectral lines including both a-type and b-type transitions were recorded in the frequency region of 400 - 450 GHz, and centrifugal distortion constants up to the sextic term were determined. Perturbation was recognized. We will report the current status of the analysis. A. Belloche, K. M. Menten, C. Comito, H. S. P. Müller, P. Schilke, J. Ott, S. Thorwirth, and C. Hieret, 2008, Astronom. & Astrophys. 482, 179 (2008). Y. Motoki, Y. Tsunoda, H. Ozeki, and K. Kobayashi, Astrophys. J. Suppl. Ser. 209, 23 (2013). B. Bak, E. L. Hansen, F. M. Nicolaisen, and O. F. Nielsen, Can. J. Phys. 53, 2183 (1975).
The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States
Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago
2017-06-01
The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).
Energy Technology Data Exchange (ETDEWEB)
Morini, Filippo; Deleuze, Michael Simon, E-mail: michael.deleuze@uhasselt.be [Center of Molecular and Materials Modelling, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium); Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)
2015-10-07
The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.
On the nature of highly vibrationally excited states of Thiophosgene
Keshavamurthy, Srihari
2011-01-01
In this work an analysis of the highly vibrationally excited states of thiophosgene (SCCl$_{2}$) is made in order to gain insights into some of the experimental observations and spectral features. The states analyzed herein lie in a spectrally complex region where strong mode mixings are expected due to the overlap of several strong anharmonic Fermi resonances. Two recent techniques, a semiclassical angle space representation of the eigenstates and the parametric variation of the eigenvalues (level-velocities) are used to identify eigenstate sequences exhibiting common localization characteristics. Preliminary results on the influence of highly excited out-of-plane bending modes on the nature of the eigenstates suggest a possible bifurcation in the system.
On the nature of highly vibrationally excited states of thiophosgene
Indian Academy of Sciences (India)
Srihari Keshavamurthy
2012-01-01
In this work an analysis of the highly vibrationally excited states of thiophosgene (SCCl2) is made in order to gain insights into some of the experimental observations and spectral features. The states analysed here lie in a spectrally complex region where strong mode mixings are expected due to the overlap of several strong anharmonic Fermi resonances. Two recent techniques, a semiclassical angle space representation of the eigenstates and the parametric variation of the eigenvalues (level-velocities) are used to identify eigenstate sequences exhibiting common localization characteristics. Preliminary results on the influence of highly excited out-of-plane bending modes on the nature of the eigenstates suggest a possible bifurcation in the system.
Lapierre, David; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir
2016-01-01
Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of $^{16}$O$_3$ were determined using a previously-developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently-computed potential energy surface of ozone determined with a spectroscopic accuracy [J. Chem. Phys. {\\bf 139}, 134307 (2013)]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O$_3$ is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational ($J=0$) levels of $^{16}$O$_3$ and $^{18}$O$_3$, both made of bosons with zero nuclear spin, cannot dissociate on the ground state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue $^{16}$O$_3$ with rotational ...
Energy Technology Data Exchange (ETDEWEB)
Copan, Andreas V.; Wiens, Avery E.; Nowara, Ewa M.; Schaefer, Henry F.; Agarwal, Jay, E-mail: jagarwal@uga.edu [Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602 (United States)
2015-02-07
Peroxyacetyl radical [CH{sub 3}C(O)O{sub 2}] is among the most abundant peroxy radicals in the atmosphere and is involved in OH-radical recycling along with peroxyacetyl nitrate formation. Herein, the ground (X{sup ~}) and first (A{sup ~}) excited state surfaces of cis and trans peroxyacetyl radical are characterized using high-level ab initio methods. Geometries, anharmonic vibrational frequencies, and adiabatic excitation energies extrapolated to the complete basis-set limit are reported from computations with coupled-cluster theory. Excitation of the trans conformer is found to induce a symmetry-breaking conformational change due to second-order Jahn-Teller interactions with higher-lying excited states. Additional benchmark computations are provided to aid future theoretical work on peroxy radicals.
Malakar, Y.; Kaderiya, B.; Zohrabi, M.; Pearson, W. L.; Ziaee, F.; Kananka Raju, P.; Ben-Itzhak, I.; Rolles, D.; Rudenko, A.
2016-05-01
Light-driven vibrational wave packets play an important role in molecular imaging and coherent control applications. Here we present the results of a pump-probe experiment characterizing laser-induced vibrational wave packets in both, neutral and ionic states of CH3 I (iodomethane), one of the prototypical polyatomic systems. Measuring yields and kinetic energies of all ionic fragments as a function of the time delay between two 25 fs, 800 nm pump and probe pulses, we map vibrational motion of the molecule, and identify the states involved by channel-resolved Fourier spectroscopy. In the Coulomb explosion channels we observe features with ~ 130 fs periodicity resulting from C-I symmetric stretch (ν3 mode) of the electronically excited cationic state. However the Fourier transform of the low-energy I+ ion yield produced by the dissociative ionization of CH3 I reveals the signatures of the same vibrational mode in the ground electronic states of both, neutral and cation, reflected in 65-70 fs oscillations. We observe the degeneration of the oscillatory structures from the cationic states within ~ 2 ps and discuss most likely reasons for this behavior. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U. S. DOE. K. R. P. and W. L. P. supported by NSF Award No. IIA-143049.
Ground state correlations and mean field in 16O
Heisenberg, Jochen H.; Mihaila, Bogdan
1999-03-01
We use the coupled cluster expansion [exp(S) method] to generate the complete ground state correlations due to the NN interaction. Part of this procedure is the calculation of the two-body G matrix inside the nucleus in which it is being used. This formalism is being applied to 16O in a configuration space of 50ħω. The resulting ground state wave function is used to calculate the binding energy and one- and two-body densities for the ground state of 16O.
Ground state correlations and mean-field in $^{16}$O
Heisenberg, J H; Heisenberg, Jochen H.; Mihaila, Bogdan.
1999-01-01
We use the coupled cluster expansion ($\\exp(S)$ method) to generate the complete ground state correlations due to the $NN$ interaction. Part of this procedure is the calculation of the two-body ${\\mathbf G}$ matrix inside the nucleus in which it is being used. This formalism is being applied to $^{16}$O in a configuration space of 35 $\\hbar\\omega$. The resulting ground state wave function is used to calculate the binding energy and one- and two-body densities for the ground state of~$^{16}$O.
Optical cooling of AlH+ to the rotational ground state
Lien, Chien-Yu; Seck, Christopher; Odom, Brian
2014-05-01
We demonstrate cooling of the rotational degree of freedom of trapped diatomic molecular ions to the rotational ground state. The molecule of interested, AlH+, is co-trapped and sympathetically cooled with Ba+ to milliKelvin temperatures in its translational degree of freedom. The nearly diagonal Franck-Condon-Factors between the electronic X and A states of AlH+ create semi-closed cycling transitions between the vibrational ground states of X and A states. A spectrally filtered femtosecond laser is used to optically pump the population to the two lowest rotational levels, with opposite parities, in as fast as 100 μs via driving the A-X transition. In addition, a cooling scheme relying on vibrational relaxation brings the population to the N = 0 positive-parity level in as fast as 100 ms. The population distribution among the rotational levels is detected by resonance-enhanced multiphoton dissociation (REMPD) and time-of-flight mass-spectrometry (TOFMS). Although the current two-photon state readout scheme is destructive, a scheme of single-molecule fluorescence detection is also considered.
Classical ground states of symmetric Heisenberg spin systems
Schmidt, H J
2003-01-01
We investigate the ground states of classical Heisenberg spin systems which have point group symmetry. Examples are the regular polygons (spin rings) and the seven quasi-regular polyhedra including the five Platonic solids. For these examples, ground states with special properties, e.g. coplanarity or symmetry, can be completely enumerated using group-theoretical methods. For systems having coplanar (anti-) ground states with vanishing total spin we also calculate the smallest and largest energies of all states having a given total spin S. We find that these extremal energies depend quadratically on S and prove that, under certain assumptions, this happens only for systems with coplanar S = 0 ground states. For general systems the corresponding parabolas represent lower and upper bounds for the energy values. This provides strong support and clarifies the conditions for the so-called rotational band structure hypothesis which has been numerically established for many quantum spin systems.
Institute of Scientific and Technical Information of China (English)
LIU Yi-ding; SUN Wei-guo; REN Wei-yi
2006-01-01
The first accurate studies on the vibrational spectroscopic constants and the corresponding full vibrational energy spectra of some electronic states of diatomic molecular ions XY+ were performed using algebraic method(AM).The AM is applied on the X1Σ+ state of BeH+,the X2Σ+ state of CO+ , the X21-Π state of F2+ the A2Πu state of O2+ and theX2Σ+g Li2+.The results show that AM can generate accurate vibrational spectroscopic constants as well as accurate full vibrational energy spectra by using some accurate experimental vibrational energies,and that the AM vibrational energies are better than other theoretical data.
Creating arbitrary quantum vibrational states in a carbon nanotube
Wang, Heng; Burkard, Guido
2016-11-01
We theoretically study the creation of single- and multiphonon Fock states and arbitrary superpositions of quantum phonon states in a nanomechanical carbon nanotube (CNT) resonator. In our model, a doubly clamped CNT resonator is initialized in the ground state, and a single electron is trapped in a quantum dot which is formed by an electric gate potential and brought into the magnetic field of a micromagnet. The preparation of arbitrary quantum phonon states is based on the coupling between the mechanical motion of the CNT and the electron spin which acts as a nonlinearity. We assume that electrical driving pulses with different frequencies are applied on the system. The quantum information is transferred from the spin qubit to the mechanical motion by the spin-phonon coupling, and the electron spin qubit can be reset by the single-electron spin resonance. We describe Wigner tomography which can be applied at the end to obtain the phase information of the prepared phonon states.
Objectives and Progress on Ground Vibration Testing for the Ares Projects
Tuma, Margaret L.; Chenevert, Donald J.
2010-01-01
Integrated vehicle ground vibration testing (IVGVT) will be a vital component for ensuring the safety of NASA s next generation of exploration vehicles to send human beings to the Moon and beyond. A ground vibration test (GVT) measures the fundamental dynamic characteristics of launch vehicles during various phases of flight. The Ares Flight & Integrated Test Office (FITO) will be conducting the IVGVT for the Ares I crew launch vehicle at Marshall Space Flight Center (MSFC) from 2012 to 2014 using Test Stand (TS) 4550. MSFC conducted similar GVT for the Saturn V and Space Shuttle vehicles. FITO will perform the IVGVT on the Ares I crew launch vehicle, which will lift the Orion crew exploration vehicle to low Earth orbit, and the Ares V cargo launch vehicle, which can launch the lunar lander into orbit and send the combined Orion/lander vehicles toward the Moon. Ares V consists of a six-engine core stage with two solid rocket boosters and an Earth departure stage (EDS). The same engine will power the EDS and the Ares I second stage. The current plan is to test six configurations in three unique test positions inside TS 4550. Four Ares I second stage test configurations will be tested in Position 3, consisting of the Upper Stage and Orion crew module in four nominal conditions: J-2X engine ignition, post Launch Abort System (LAS) jettison, critical slosh mass, and J-2X burn-out. Position 2 consists of the entire launch stack at first stage burn-out (using empty first stage segments). Position 1 represents the entire launch stack at lift-off (using inert first stage segments). Because of long disuse, TS 4550 is being repaired and modified for reactivation to conduct the Ares I IVGVT. The Shuttle-era platforms have been removed and are being replaced with mast climbers that provide ready access to the test articles and can be moved easily to support different positions within the test stand. Two new cranes will help move test articles at the test stand and at the
Vibrationally resolved lifetimes of the 21Σu+ state of Na2
Anunciado, Roy B.; Ashman, Seth; Hüwel, Lutz
2016-11-01
Lifetimes of partially resolved ro-vibrational levels of the Na2 21Σu+ double well state have been measured for the first time. Ground state sodium dimer molecules in a molecular beam are resonantly excited by the doubled output of a 10 ns pulsed dye laser in the range 333-357 nm. After being allowed to decay for a predetermined time interval, the surviving excited molecules are ionized by 532 nm photons from a delayed Nd:YAG laser and detected in a linear time-of-flight mass spectrometer. By appropriate tuning of the excitation laser and systematic variation of the probe laser delay, lifetimes are obtained for vibrational levels in the range from 22 to 57. At zero rotation, the three lowest vibrational quantum numbers that we have explored (22, 25, and 28) correspond to wavefunctions whose probability densities are appreciable only in the inner well. Levels with larger quantum numbers are located above the barrier, which, for the rotation-free case, lies between quantum numbers 33 and 34. Because of the congested nature of the excitation spectrum and the experimental resolution of about 0.2 cm-1 available to us, our experimental results are only partially quantum state resolved. Nevertheless, we can discern a decrease in lifetime from about 50 to 40 ns for the inner well levels and a slight increase in lifetime with increasing quantum number for levels above the potential barrier. We have also performed lifetime calculations based on the LEVEL and BCONT programs made available by Le Roy, the latter of which was modified by McGeehan. When limited to bound-bound transitions, theoretical lifetimes for levels above the barrier are systematically larger than experimental values by a factor of almost two. With the addition of bound-free transitions, agreement between experiment and theory is, for the most part, within the experimental uncertainties.
Ground state energy of the modified Nambu-Goto string
Hadasz, L
1998-01-01
We calculate, using zeta function regularization method, semiclassical energy of the Nambu-Goto string supplemented with the boundary, Gauss-Bonnet term in the action and discuss the tachyonic ground state problem.
Arsenic in Ground Water of the United States - Direct Download
U.S. Geological Survey, Department of the Interior — This image shows national-scale patterns of naturally occurring arsenic in potable ground-water resources of the continental United States. The image was generated...
ON GROUND STATE SOLUTIONS FOR SUPERLINEAR DIRAC EQUATION
Institute of Scientific and Technical Information of China (English)
张建; 唐先华; 张文
2014-01-01
This article is concerned with the nonlinear Dirac equations Under suitable assumptions on the nonlinearity, we establish the existence of ground state solutions by the generalized Nehari manifold method developed recently by Szulkin and Weth.
Cox, T. H.; Gilyard, G. B.
1986-01-01
The drones for aerodynamic and structural testing (DAST) project was designed to control flutter actively at high subsonic speeds. Accurate knowledge of the structural model was critical for the successful design of the control system. A ground vibration test was conducted on the DAST vehicle to determine the structural model characteristics. This report presents and discusses the vibration and test equipment, the test setup and procedures, and the antisymmetric and symmetric mode shape results. The modal characteristics were subsequently used to update the structural model employed in the control law design process.
Entanglement of two ground state neutral atoms using Rydberg blockade
DEFF Research Database (Denmark)
Miroshnychenko, Yevhen; Browaeys, Antoine; Evellin, Charles
2011-01-01
We report on our recent progress in trapping and manipulation of internal states of single neutral rubidium atoms in optical tweezers. We demonstrate the creation of an entangled state between two ground state atoms trapped in separate tweezers using the effect of Rydberg blockade. The quality of...
Borromean ground state of fermions in two dimensions
DEFF Research Database (Denmark)
G. Volosniev, A.; V. Fedorov, D.; S. Jensen, A.;
2014-01-01
-body threshold. They are the lowest in a possible sequence of so-called super-Efimov states. While the observation of the super-Efimov scaling could be very difficult, the borromean ground state should be observable in cold atomic gases and could be the basis for producing a quantum gas of three-body states...
Energy Technology Data Exchange (ETDEWEB)
Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki, E-mail: baba@kuchem.kyoto-u.ac.jp [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Nakajima, Masakazu; Endo, Yasuki [Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902 (Japan)
2015-12-28
We observed microwave absorption spectra of some deuterated benzenes and accurately determined the rotational constants of all H/D isotopomers in the ground vibrational state. Using synthetic analysis assuming that all bond angles are 120°, the mean bond lengths were obtained to be r{sub 0}(C–C) = 1.3971 Å and r{sub 0}(C–H) = r{sub 0}(C–D) = 1.0805 Å. It has been concluded that the effect of deuterium substitution on the molecular structure is negligibly small and that the mean bond lengths of C–H and C–D are identical unlike small aliphatic hydrocarbons, in which r{sub 0}(C–D) is about 5 mÅ shorter than r{sub 0}(C–H). It is considered that anharmonicity is very small in the C–H stretching vibration of aromatic hydrocarbons.
Electromagnetically-induced-transparency ground-state cooling of long ion strings
Lechner, Regina; Maier, Christine; Hempel, Cornelius; Jurcevic, Petar; Lanyon, Ben P.; Monz, Thomas; Brownnutt, Michael; Blatt, Rainer; Roos, Christian F.
2016-05-01
Electromagnetically-induced-transparency (EIT) cooling is a ground-state cooling technique for trapped particles. EIT offers a broader cooling range in frequency space compared to more established methods. In this work, we experimentally investigate EIT cooling in strings of trapped atomic ions. In strings of up to 18 ions, we demonstrate simultaneous ground-state cooling of all radial modes in under 1 ms. This is a particularly important capability in view of emerging quantum simulation experiments with large numbers of trapped ions. Our analysis of the EIT cooling dynamics is based on a technique enabling single-shot measurements of phonon numbers, by rapid adiabatic passage on a vibrational sideband of a narrow transition.
Theory of ground state factorization in quantum cooperative systems.
Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio
2008-05-16
We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.
Quasiparticle Random Phase Approximation with an optimal Ground State
Simkovic, F; Raduta, A A
2001-01-01
A new Quasiparticle Random Phase Approximation approach is presented. The corresponding ground state is variationally determined and exhibits a minimum energy. New solutions for the ground state, some with spontaneously broken symmetry, of a solvable Hamiltonian are found. A non-iterative procedure to solve the non-linear QRPA equations is used and thus all possible solutions are found. These are compared with the exact results as well as with the solutions provided by other approaches.
Trivikram, T. Madhu; Niu, M. L.; Wcisło, P.; Ubachs, W.; Salumbides, E. J.
2016-12-01
Accurate EF^1Σ^+_g{-}X^1Σ^+_g transition energies in molecular hydrogen were determined for transitions originating from levels with highly excited vibrational quantum number, v = 11, in the ground electronic state. Doppler-free two-photon spectroscopy was applied on vibrationally excited H_2^*, produced via the photodissociation of H2S, yielding transition frequencies with accuracies of 45 MHz or 0.0015 cm-1. An important improvement is the enhanced detection efficiency by resonant excitation to autoionizing 7pπ electronic Rydberg states, resulting in narrow transitions due to reduced ac-Stark effects. Using known EF level energies, the level energies of X( v = 11, J = 1, 3-5) states are derived with accuracies of typically 0.002 cm-1. These experimental values are in excellent agreement with and are more accurate than the results obtained from the most advanced ab initio molecular theory calculations including relativistic and QED contributions.
2016-03-04
AFRL-AFOSR-VA-TR-2016-0124 Reduced Heat Flux Through Preferential Surface Reactions Leading to Vibrationally and Electronically Excited Product...Reactions Leading to Vibrationally and Electronically Excited Product States 5a. CONTRACT NUMBER FA9550-12-1-0486 5b. GRANT NUMBER 5c. PROGRAM... Leading to Vibrationally and Electronically Excited Product States FINAL TECHNICAL REPORT: Grant #FA9550-12-1-0486 2013 Basic Research Initiative (BRI
Fedorov, Dmitry A; Varganov, Sergey A
2014-01-01
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X1{\\Sigma}+ electronic state using the coupled cluster with singles doubles and triples (CCSDT) method. All-electron quadruple-{\\zeta} basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-{\\zeta} quality basis sets are used for K, Rb and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtaining the accurate potential energy curves. Large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm-1 for LiNa and by no more than 114 cm-1 for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencie...
Ground vibrations and airborne sounds generated by motion of rock in a river bed
Directory of Open Access Journals (Sweden)
C.-J. Huang
2008-10-01
Full Text Available This study investigates how ground vibrations (underground sounds and airborne sounds that are produced by rocks in a river bed differ from each other. Airborne and underground sounds were simultaneously received at three microphones and three geophones, respectively. These sound signals were then analyzed using both the Fast Fourier Transform and the Gabor Transform to represent them in both the frequency and time-frequency domains. Experimental data indicate that the frequency of both airborne and underground sounds produced by the impact of rocks against the river bed is in the range 10–150 Hz. Furthermore, the high-frequency band of underground sounds decays much more rapidly than that of airborne sounds. The spatial decay rate of airborne sounds was also determined and compared with theoretical values. The lower spatial decay rate of airborne sounds than that of underground sounds suggests that monitoring of airborne sounds may be more efficient in the detection of debris flows or other natural hazards that generate both airborne and underground sounds.
Toward Triplet Ground State NaLi Molecules
Ebadi, Sepehr; Jamison, Alan; Rvachov, Timur; Jing, Li; Son, Hyungmok; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang
2016-05-01
The NaLi molecule is expected to have a long lifetime in the triplet ground-state due to its fermionic nature, large rotational constant, and weak spin-orbit coupling. The triplet state has both electric and magnetic dipole moments, affording unique opportunities in quantum simulation and ultracold chemistry. We have mapped the excited state NaLi triplet potential by means of photoassociation spectroscopy. We report on this and our further progress toward the creation of the triplet ground-state molecules using STIRAP. NSF, ARO-MURI, Samsung, NSERC.
Chackerian, C., Jr.
1976-01-01
The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.
Lofrumento, C; Arci, F; Carlesi, S; Ricci, M; Castellucci, E; Becucci, M
2015-02-25
The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311+G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.
Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
Directory of Open Access Journals (Sweden)
S. Torquato
2015-05-01
Full Text Available It has been shown numerically that systems of particles interacting with isotropic “stealthy” bounded long-ranged pair potentials (similar to Friedel oscillations have classical ground states that are (counterintuitively disordered, hyperuniform, and highly degenerate. Disordered hyperuniform systems have received attention recently because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d-dimensional Euclidean space R^{d} is highly nontrivial because the dimensionality of the configuration space depends on the number density ρ and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. The purpose of this paper is to take some initial steps in this direction. Specifically, we derive general exact relations for thermodynamic properties (energy, pressure, and isothermal compressibility that apply to any ground-state ensemble as a function of ρ in any d, and we show how disordered degenerate ground states arise as part of the ground-state manifold. We also derive exact integral conditions that both the pair correlation function g_{2}(r and structure factor S(k must obey for any d. We then specialize our results to the canonical ensemble (in the zero-temperature limit by exploiting an ansatz that stealthy states behave remarkably like “pseudo”-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for g_{2}(r and S(k are in excellent agreement with computer simulations across the first three space dimensions. These results are used to obtain order metrics, local number variance, and nearest-neighbor functions across dimensions. We also derive
Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
Torquato, S.; Zhang, G.; Stillinger, F. H.
2015-04-01
It has been shown numerically that systems of particles interacting with isotropic "stealthy" bounded long-ranged pair potentials (similar to Friedel oscillations) have classical ground states that are (counterintuitively) disordered, hyperuniform, and highly degenerate. Disordered hyperuniform systems have received attention recently because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d -dimensional Euclidean space Rd is highly nontrivial because the dimensionality of the configuration space depends on the number density ρ and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. The purpose of this paper is to take some initial steps in this direction. Specifically, we derive general exact relations for thermodynamic properties (energy, pressure, and isothermal compressibility) that apply to any ground-state ensemble as a function of ρ in any d , and we show how disordered degenerate ground states arise as part of the ground-state manifold. We also derive exact integral conditions that both the pair correlation function g2(r ) and structure factor S (k ) must obey for any d . We then specialize our results to the canonical ensemble (in the zero-temperature limit) by exploiting an ansatz that stealthy states behave remarkably like "pseudo"-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for g2(r ) and S (k ) are in excellent agreement with computer simulations across the first three space dimensions. These results are used to obtain order metrics, local number variance, and nearest-neighbor functions across dimensions. We also derive accurate analytical
Institute of Scientific and Technical Information of China (English)
2008-01-01
An efficient 2.5D finite element numerical modeling approach was developed to simulate wave motions generated in ground by high-speed train passages. Fourier transform with respect to the coordinate in the track direction was applied to re-ducing the three-dimensional dynamic problem to a plane strain problem which has been solved in a section perpendicular to the track direction. In this study, the track structure and supporting ballast layer were simplified as a composite Euler beam resting on the ground surface, while the ground with complicated geometry and physical properties was modeled by 2.5D quadrilateral elements. Wave dissipation into the far field was dealt with the transmitting boundary constructed with fre-quency-dependent dashpots. Three-dimensional responses of track structure and ground were obtained from the wavenumber expansion in the track direction. The simulated wave motions in ground were interpreted for train moving loads traveling at speeds below or above the critical velocity of a specific track-ground system. It is found that, in the soft ground area, the high-speed train operations can enter the transonic range, which can lead to resonances of the track structure and the sup-porting ground. The strong vibration will endanger the safe operations of high-speed train and accelerate the deterioration of railway structure.
Institute of Scientific and Technical Information of China (English)
BIAN XueCheng; OHEN YunMin; HU Ting
2008-01-01
An efficient 2.5D finite element numerical modeling approach was developed to simulate wave motions generated in ground by high-speed train passages.Fourier transform with respect to the coordinate in the track direction was applied to re-ducing the three-dimensional dynamic problem to a plane strain problem which has been solved in a section perpendicular to the track direction.In this study,the track structure and supporting ballast layer were simplified as a composite Euler beam resting on the ground surface,while the ground with complicated geometry and physical properties was modeled by 2.5D quadrilateral elements.Wave dissipation into the far field was dealt with the transmitting boundary constructed with fre-quency-dependent dashpots.Three-dimensional responses of track structure and ground were obtained from the wavenumber expansion in the track direction.The simulated wave motions in ground were interpreted for train moving loads traveling at speeds below or above the critical velocity of a specific track-ground system.It is found that,in the soft ground area,the high-speed train operations can enter the transonic range,which can lead to resonances of the track structure and the sup-porting ground.The strong vibration will endanger the safe operations of high-speed train and accelerate the deterioration of railway structure.
Koebel, Carolyn Michelle
Since its completion in 1910, the Chicago Sanitary and Ship Canal (CSSC) has become a pathway for invasive species (and potentially Asian carp) to reach the Great Lakes. Currently, an electric barrier is used to prevent Asian carp migration through the canal, but the need for a secondary method is necessary, especially when the electric barrier undergoes maintenance. The underwater Asian carp "cannon" (water gun) provides such a method. Analysis of the ground movement produced by an 80 in3 water gun in the CSSC was performed in order to establish any potential for damage to the either the canal or structures built along the canal. Ground movement was collected using 3-component geophones on both the land surface and in boreholes. The peak particle velocities (PPVs) were analyzed to determine if damage would be caused to structures located along the canal. Vector sum velocity ground movement along the canal wall was as high as 0.28 in/s (7.11 mm/s), which is much lower than the United States Bureau of Mines (USBM) ground vibration damage threshold of 0.75 in/s (19.1 mm/s), causing no potential for damage to structures along the canal wall. The dominant frequency of ground motion produced by the water gun is primarily above 40 Hz, so the wave energy should attenuate fairly quickly away from the canal wall, with little disturbance to structures further from the wall.
Quench of a symmetry-broken ground state
Giampaolo, S. M.; Zonzo, G.
2017-01-01
We analyze the problem of how different ground states associated with the same set of Hamiltonian parameters evolve after a sudden quench. To realize our analysis we define a quantitative approach to the local distinguishability between different ground states of a magnetically ordered phase in terms of the trace distance between the reduced density matrices obtained by projecting two ground states in the same subset. Before the quench, regardless of the particular choice of subset, any system in a magnetically ordered phase is characterized by ground states that are locally distinguishable. On the other hand, after the quench, the maximum distinguishability shows an exponential decay in time. Hence, in the limit of very long times, all the information about the particular initial ground state is lost even if the systems are integrable. We prove our claims in the framework of the magnetically ordered phases that characterize both the X Y and the N -cluster Ising models. The fact that we find similar behavior in models within different classes of symmetry makes us confident about the generality of our results.
Ensuring Safe Exploration: Ares Launch Vehicle Integrated Vehicle Ground Vibration Testing
Tuma, M. L.; Chenevert, D. J.
2010-01-01
Integrated vehicle ground vibration testing (IVGVT) will be a vital component for ensuring the safety of NASA's next generation of exploration vehicles to send human beings to the Moon and beyond. A ground vibration test (GVT) measures the fundamental dynamic characteristics of launch vehicles during various phases of flight. The Ares Flight & Integrated Test Office (FITO) will be leading the IVGVT for the Ares I crew launch vehicle at Marshall Space Flight Center (MSFC) from 2012 to 2014 using Test Stand (TS) 4550. MSFC conducted similar GVT for the Saturn V and Space Shuttle vehicles. FITO is responsible for performing the IVGVT on the Ares I crew launch vehicle, which will lift the Orion crew exploration vehicle to low Earth orbit, and the Ares V cargo launch vehicle, which can launch the lunar lander into orbit and send the combined Orionilander vehicles toward the Moon. Ares V consists of a six-engine core stage with two solid rocket boosters and an Earth departure stage (EDS). The same engine will power the EDS and the Ares I second stage. For the Ares IVGVT, the current plan is to test six configurations in three unique test positions inside TS 4550. Position 1 represents the entire launch stack at liftoff (using inert first stage segments). Position 2 consists of the entire launch stack at first stage burn-out (using empty first stage segments). Four Ares I second stage test configurations will be tested in Position 3, consisting of the Upper Stage and Orion crew module in four nominal conditions: J-2X engine ignition, post Launch Abort System (LAS) jettison, critical slosh mass, and J-2X burn-out. Because of long disuse, TS 4550 is being repaired and reactivated to conduct the Ares I IVGVT. The Shuttle-era platforms have been removed and are being replaced with mast climbers that provide ready access to the test articles and can be moved easily to support different positions within the test stand. The electrical power distribution system for TS 4550 was
Borromean ground state of fermions in two dimensions
Volosniev, A. G.; Fedorov, D. V.; Jensen, A. S.; Zinner, N. T.
2014-09-01
The study of quantum mechanical bound states is as old as quantum theory itself. Yet, it took many years to realize that three-body Borromean systems that are bound when any two-body subsystem is unbound are abundant in nature. Here we demonstrate the existence of Borromean systems of spin-polarized (spinless) identical fermions in two spatial dimensions. The ground state with zero orbital (planar) angular momentum exists in a Borromean window between critical two- and three-body strengths. The doubly degenerate first excited states of angular momentum one appears only very close to the two-body threshold. They are the lowest in a possible sequence of so-called super-Efimov states. While the observation of the super-Efimov scaling could be very difficult, the Borromean ground state should be observable in cold atomic gases and could be the basis for producing a quantum gas of three-body states in two dimensions.
Dolmatov, E.; Zaharov, A.; Ilin, S.; Kuznetsov, I.; Nikiforov, A.
2016-11-01
The article covers a choice of main vibration parameter at an assessment of a vibration state of vertical Francis hydroturbines. At present time vibration velocity and vibration displacement are adopted as main parameters of non-rotating parts vibration in the international standard ISO 10816-5:2000 «Mechanical vibration — Evaluation of machine vibration by measurements on non-rotating parts — Part 5: Machine sets in hydraulic power generating and pumping plants» (further ISO 10816-5:2000). The hydraulic turbines refer to the slow-speed machines with rotation speed from 60 to 600 rpm (∼ 1 - 10 Hz). So maximum vibration displacements and dynamic stresses in hydraulic turbines supporting parts are in low-frequency region of vibration spectrum. In this report comparative data of hydro units supporting parts vibration velocity and vibration displacement measurements are presented. Using these data assessment of hydro units vibration state has been done. It is shown that the assessment of a hydro unit vibration state using parameter "vibration displacement" corresponds to the fundamental principles of operational reliability and fatigue strength of hydro units supporting parts. It is noted that when hydro units operate at small and partial loads with high low-frequency unsteady flow (f hydraulic turbines» which was published in 1989. In this document vibration displacement was considered as a main parameter. Evaluation of turbine vibration was performed according to the effecrive value of turbine supporting parts vibration displacement.
Observations of high vibrational levels of the 4 f σ 4 1Σu+ state of H2
Chartrand, A. M.; Ekey, R. C.; McCormack, E. F.
2016-07-01
Resonantly enhanced multiphoton ionization via the E F 1Σg+, v' = 6 double-well state has been used to probe the energy region below the third dissociation limit of H2 where several high vibrational levels of the 4 1Σu+ state are expected. Theoretical ab initio potential energy curves for this state predict a deep inner well and shallow outer well where vibrational levels above v = 8 are expected to exhibit the double-well character of the state. Since the 4 1Σu+ state has f-state character, transitions to it from the ground state are nominally forbidden. However, the d character of the outer well of the E F 1Σg+ state allows access to this state. We report observations of transitions to the v = 9-12 levels of the 4 1Σu+ state and compare their energies to predicted energies calculated from an ab initio potential energy curve with adiabatic corrections. Assignments are based on measured energies and linewidths, rotational constants, and expected transition strengths. The amount of agreement between the predicted values and the observations is mixed, with the largest discrepancies arising for the v = 9 level, owing to strong nonadiabatic electronic mixing in this energy region.
Ground-state charge transfer as a mechanism for surface-enhanced Raman scattering
Lippitsch, Max E.
1984-03-01
A model is presented for the contribution of ground-state charge transfer between a metal and adsorbate to surface-enhanced Raman scattering (SERS). It is shown that this contribution can be understood using the vibronic theory for calculating Raman intensities. The enhancement is due to vibronic coupling of the molecular ground state to the metal states, the coupling mechanism being a modulation of the ground-state charge-transfer energy by the molecular vibrations. An analysis of the coupling operator gives the selection rules for this process, which turn out to be dependent on the overall symmetry of the adsorbate-metal system, even if the charge transfer is small enough for the symmetry of the adsorbate to remain the same as that of the free molecule. It is shown that the model can yield predictions on the properties of SERS, e.g., specificity to adsorption geometry, appearance of forbidden bands, dependence on the applied potential, and dependence on the excitation wavelength. The predictions are in good agreement with experimental results. It is also deduced from this model that in many cases atomic-scale roughness is a prerequisite for the observation of SERS. A result on the magnitude of the enhancement can only be given in a crude approximation. Although in most cases an additional electromagnetic enhancement seems to be necessary to give an observable signal, this charge-transfer mechanism should be important in many SERS systems.
Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters
Souza, T. X. R.; Macedo, C. A.
2016-01-01
In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh’s conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653
Estimation of beryllium ground state energy by Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Kabir, K. M. Ariful [Department of Physical Sciences, School of Engineering and Computer Science, Independent University, Bangladesh (IUB) Dhaka (Bangladesh); Halder, Amal [Department of Mathematics, University of Dhaka Dhaka (Bangladesh)
2015-05-15
Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.
Probing quantum frustrated systems via factorization of the ground state.
Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio
2010-05-21
The existence of definite orders in frustrated quantum systems is related rigorously to the occurrence of fully factorized ground states below a threshold value of the frustration. Ground-state separability thus provides a natural measure of frustration: strongly frustrated systems are those that cannot accommodate for classical-like solutions. The exact form of the factorized ground states and the critical frustration are determined for various classes of nonexactly solvable spin models with different spatial ranges of the interactions. For weak frustration, the existence of disentangling transitions determines the range of applicability of mean-field descriptions in biological and physical problems such as stochastic gene expression and the stability of long-period modulated structures.
Analysis of ground state in random bipartite matching
Shi, Gui-Yuan; Liao, Hao; Zhang, Yi-Cheng
2015-01-01
In human society, a lot of social phenomena can be concluded into a mathematical problem called the bipartite matching, one of the most well known model is the marriage problem proposed by Gale and Shapley. In this article, we try to find out some intrinsic properties of the ground state of this model and thus gain more insights and ideas about the matching problem. We apply Kuhn-Munkres Algorithm to find out the numerical ground state solution of the system. The simulation result proves the previous theoretical analysis using replica method. In the result, we also find out the amount of blocking pairs which can be regarded as a representative of the system stability. Furthermore, we discover that the connectivity in the bipartite matching problem has a great impact on the stability of the ground state, and the system will become more unstable if there were more connections between men and women.
Ground states of the SU(N) Heisenberg model.
Kawashima, Naoki; Tanabe, Yuta
2007-02-02
The SU(N) Heisenberg model with various single-row representations is investigated by quantum Monte Carlo simulations. While the zero-temperature phase boundary agrees qualitatively with the theoretical predictions based on the 1/N expansion, some unexpected features are also observed. For N> or =5 with the fundamental representation, for example, it is suggested that the ground states possess exact or approximate U(1) degeneracy. In addition, for the representation of Young tableau with more than one column, the ground state shows no valence-bond-solid order even at N greater than the threshold value.
Ground state properties of graphene in Hartree-Fock theory
Hainzl, Christian; Sparber, Christof
2012-01-01
We study the Hartree-Fock approximation of graphene in infinite volume, with instantaneous Coulomb interactions. First we construct its translation-invariant ground state and we recover the well-known fact that, due to the exchange term, the effective Fermi velocity is logarithmically divergent at zero momentum. In a second step we prove the existence of a ground state in the presence of local defects and we discuss some properties of the linear response to an external electric field. All our results are non perturbative.
Karhu, J; Vainio, M; Metsälä, M; Hoekstra, S; Halonen, L
2016-01-01
A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, $\
Coherent Control of Ground State NaK Molecules
Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin
2016-05-01
Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE
Jacobs, M. H.; Van Den Berg, A. P.
2013-12-01
Thermodynamic databases are indispensable tools in materials science and mineral physics to derive thermodynamic properties in regions of pressure-temperature-composition space for which experimental data are not available or scant. Because the amount of phases and substances in a database is arbitrarily large, thermodynamic formalisms coupled to these databases are often kept as simple as possible to sustain computational efficiency. Although formalisms based on parameterizations of 1 bar thermodynamic data, commonly used in Calphad methodology, meet this requirement, physically unrealistic behavior in properties hamper the application in the pressure regime prevailing in the Earth's lower mantle. The application becomes especially cumbersome when they are applied to planetary mantles of massive super earth exoplanets or in the development of pressure scales, where Hugoniot data at extreme conditions are involved. Methods based on the Mie-Grüneisen-Debye formalism have the advantage that physically unrealistic behavior in thermodynamic properties is absent, but due to the simple construction of the vibrational density of states (VDoS), they lack engineering precision in the low-pressure regime, especially at 1 bar pressure, hampering application of databases incorporating such formalism to industrial processes. To obtain a method that is generally applicable in the complete stability range of a material, we developed a method based on an alternative use of Kieffer's lattice vibrational formalism. The method requires experimental data to constrain the model parameters and is therefore semi-empirical. It has the advantage that microscopic properties for substances, such as the VDoS, Grüneisen parameters and electronic and static lattice properties resulting from present-day ab-initio methods can be incorporated to constrain a thermodynamic analysis of experimental data. It produces results free from physically unrealistic behavior at high pressure and temperature
Amberger, Brent K.; Woods, R. Claude; Esselman, Brian J.; McMahon, Robert J.
2015-06-01
Hydrazoic acid (HN_3) and DN_3 have qualitatively different rotational spectra, owing in large part to a substantial difference in their A rotational constants (345 GHz for DN_3 vs 611 GHz for HN_3). Like HN_3, DN_3 has six fundamental vibrational modes, of which four are visible in our millimeter-wave spectra at room temperature. Between 240 and 450 GHz, many pure rotational transitions for the ground vibrational state, νb{5} (496 cm-1), νb{6} (586 cm-1), νb{4} (955 cm-1), νb{3} (1197 cm-1), the first overtones of νb{5} and νb{6}, and the combination νb{5}+νb{6} have been observed and assigned. Because DN_3 is a light molecule, the rotational energy levels are widely spaced, leading to numerous interactions between rotational states of different vibrational modes. We have drawn on a wealth of previously published ro-vibrational data from high resolution FTIR spectra in our efforts to understand these perturbations. The centrifugal distortion interaction between νb{5} and the ground state of DN_3 is less dramatic than in HN_3 but still significant. DN_3 shows the same set of Coriolis interactions as does HN_3, but again, their magnitude is generally smaller. In DN_3 the νb{4} state is at slightly lower energy than 2νb{5}, instead of being nearly degenerate with νb{5}+νb{6} as is the case for HN_3. Therefore, there are strong local interactions between 2νb{5} and νb{4}, as well as between νb{3} and 2νb{6}. A notable advantage in solving the DN_3 problem compared to HN_3 is the substantial increase in the number and diversity of observable b-type lines in our frequency region. Furthermore, the smaller A value permits higher K states to be observed due to a more gradual decrease in state populations. Ground state observations have been extended through K = 11 and through J = 50. Pickett's SPFIT has been employed to carry out multi-state fits using combined datasets of our millimeter-wave data and the published FTIR data. J. Bendtsen and F. M
Millimeter-wave spectroscopy of syn formyl azide (HC(O)N3) in seven vibrational states
Walters, Nicholas A.; Amberger, Brent K.; Esselman, Brian J.; Woods, R. Claude; McMahon, Robert J.
2017-01-01
Millimeter-wave spectra for formyl azide (HC(O)N3) were obtained from 240 to 360 GHz at ambient temperature. For the ground state of syn formyl azide, over 1500 independent rotational transitions were measured and least-squares fit to a complete S-reduced 8th order centrifugal distortion/rigid rotor Hamiltonian. The decomposition of formyl azide was monitored over a period of several hours, the half-life (t½ = 30 min) was determined, and its decomposition products were investigated. Transitions from five vibrational satellites of syn formyl azide (ν9, ν12, 2ν9, ν9 + ν12, and ν11) were observed, measured, and least-squares fit to complete or nearly complete octic centrifugally-distorted, single-state S-reduced models. A less complete single-state fit of 3ν9 (509.3 cm-1) was obtained from an unperturbed subset of its assignable transitions. This state is apparently coupled to the fundamental ν8 (489.4 cm-1) and the overtone 2ν12 (503.6 cm-1), but the coupling remains unanalyzed. Anharmonic CCSD(T)/ANO1 estimates of the vibrational frequencies of syn formyl azide were in close agreement with previously published experimental and computational values. Experimentally determined vibration-rotation interaction (αi) values were in excellent agreement with coupled-cluster predicted αi values for the fundamentals ν9, ν12, and ν11.
[Dynamics of morphofunctional state of central nervous system in white rates exposed to vibration].
Pankov, V A; Katamanova, E V; Kuleshova, M V; Titov, E A; Kartapol'tseva, N V; Iakimova, N L; Lizarev, A V
2014-01-01
The authors presented results of experimental studies assessing influence of vibration on white rats. Dynamics of morphologic changes development in brain of experimental animals exposed to vibration were shown. Exposure to vibration in white rats daily during 4 hours over 15 days causes astrogliosis--compensation process in response to brain injury; over 1 month--causes morphologic brain changes (vacuoles formation in neuropile, decrease in astroglia cells number); over 2 months--causes lower plasticity of brain neurons, preserved astrogliosis; over 4 months--causes perivascular edema. Changes in brain bioelectric activity indicate stages of pathologic process in central nervous system. Increase in vibration exposure duration leads to more severe diffuse pathologic changes in brain and local cortical and diencephalic disorders. Exposure to vibration in white rats causes increase in general mobility, nonspecific activation of behaviour, intense emotional exertion, negative emotional state, but less severe effects of vibration were seen in orientative-trying reactions that are inborn, inherited forms of behaviour.
Regular vibrational state progressions at the dissociation limit of SCCl2.
Chowdary, Praveen D; Gruebele, Martin
2009-01-14
We observe sharp features in the vibrational spectrum of SCCl(2) at and above its two lowest-lying dissociation limits. Highly regular vibrational progressions persist at dissociation, as in some smaller molecules studied previously by others. Nearly all of the SCCl(2) transitions studied by stimulated emission pumping can be assigned and fitted by a simple effective Hamiltonian without resonance terms, up to a total vibrational excitation of 36 quanta. The character of the highly excited vibrational wave functions is not normal mode-like, but it nonetheless arises gradually from the normal modes as the energy increases. The number of sharp vibrational features observed matches a scaling model that predicts localization of nearly all vibrational states near dissociation as the size of a polyatomic molecule increases.
CHECKING OF TECHNICAL BRIDGES’ STATE BY PASSIVE VIBRATIONAL DYNAMICS METHODS
Directory of Open Access Journals (Sweden)
V. P. Redchenko
2010-03-01
Full Text Available In the article the results of studies of the passive vibration test methods and the possibilities of using them for determining and monitoring of technical condition of bridges are presented.
Abdikarimov, R.; Bykovtsev, A.; Khodzhaev, D.; Research Team Of Geotechnical; Structural Engineers
2010-12-01
Long-period earthquake ground motions (LPEGM) with multiple oscillations have become a crucial consideration in seismic hazard assessment because of the rapid increase of tall buildings and special structures (SP).Usually, SP refers to innovative long-span structural systems. More specifically, they include many types of structures, such as: geodesic showground; folded plates; and thin shells. As continuation of previous research (Bykovtsev, Abdikarimov, Khodzhaev 2003, 2010) analysis of nonlinear vibrations (NV) and dynamic stability of SP simulated as shells with variable rigidity in geometrically nonlinear statement will be presented for two cases. The first case will represent NV example of a viscoelastic orthotropic cylindrical shell with radius R, length L and variable thickness h=h(x,y). The second case will be NV example of a viscoelastic shell with double curvature, variable thickness, and bearing the concentrated masses. In both cases we count, that the SP will be operates under seismic load generated by LPEGM with multiple oscillations. For different seismic loads simulations, Bykovtsev’s Model and methodology was used for generating LPEGM time history. The methodology for synthesizing LPEGM from fault with multiple segmentations was developed by Bykovtev (1978-2010) and based on 3D-analytical solutions by Bykovtsev-Kramarovskii (1987&1989) constructed for faults with multiple segmentations. This model is based on a kinematics description of displacement function on the fault and included in consideration of all possible combinations of 3 components of vector displacement (two slip vectors and one tension component). The opportunities to take into consideration fault segmentations with both shear and tension vector components of displacement on the fault plane provide more accurate LPEGM evaluations. Radiation patterns and directivity effects were included in the model and more physically realistic results for simulated LPEGM were considered. The
Striped spin liquid crystal ground state instability of kagome antiferromagnets.
Clark, Bryan K; Kinder, Jesse M; Neuscamman, Eric; Chan, Garnet Kin-Lic; Lawler, Michael J
2013-11-01
The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome antiferromagnet has potential instabilities. This has been suggested as the reason why it does not emerge as the ground state in large-scale numerical calculations. However, previous attempts to observe these instabilities have failed. We report on the discovery of a projected BCS state with lower energy than the projected Dirac spin liquid state which provides new insight into the stability of the ground state of the kagome antiferromagnet. The new state has three remarkable features. First, it breaks spatial symmetry in an unusual way that may leave spinons deconfined along one direction. Second, it breaks the U(1) gauge symmetry down to Z(2). Third, it has the spatial symmetry of a previously proposed "monopole" suggesting that it is an instability of the Dirac spin liquid. The state described herein also shares a remarkable similarity to the distortion of the kagome lattice observed at low Zn concentrations in Zn-paratacamite and in recently grown single crystals of volborthite suggesting it may already be realized in these materials.
Govind, Chinju; Karunakaran, Venugopal
2017-04-13
Hemin is a unique model compound of heme proteins carrying out variable biological functions. Here, the excited state relaxation dynamics of heme model compounds in the ferric form are systematically investigated by changing the axial ligand (Cl/Br), the peripheral substituent (vinyl/ethyl-meso), and the solvent (methanol/DMSO) using femtosecond pump-probe spectroscopy upon excitation at 380 nm. The relaxation time constants of these model compounds are obtained by global analysis. Excited state deactivation pathway of the model compounds comprising the decay of the porphyrin excited state (S*) to ligand to metal charge transfer state (LMCT, τ1), back electron transfer from metal to ligand (MLCT, τ2), and relaxation to the ground state through different electronic spin states of iron (τ3 and τ4) are proposed along with the vibrational cooling processes. This is based on the excited state absorption spectral evolution, similarities between the transient absorption spectra of the ferric form and steady state absorption spectra of the low-spin ferrous form, and the data analysis. The observation of an increase of all the relaxation time constants in DMSO compared to the methanol reflects the stabilization of intermediate states involved in the electronic relaxation. The transient absorption spectra of met-myoglobin are also measured for comparison. Thus, the transient absorption spectra of these model compounds reveal the involvement of multiple iron spin states in the electronic relaxation dynamics, which could be an alternative pathway to the ground state beside the vibrational cooling processes and associated with the inherent features of the heme b type.
Asymptotics of Ground State Degeneracies in Quiver Quantum Mechanics
Cordova, Clay
2015-01-01
We study the growth of the ground state degeneracy in the Kronecker model of quiver quantum mechanics. This is the simplest quiver with two gauge groups and bifundamental matter fields, and appears universally in the context of BPS state counting in four-dimensional N=2 systems. For large ranks, the ground state degeneracy is exponential with slope a modular function that we are able to compute at integral values of its argument. We also observe that the exponential of the slope is an algebraic number and determine its associated algebraic equation explicitly in several examples. The speed of growth of the degeneracies, together with various physical features of the bound states, suggests a dual string interpretation.
Observation of Hyperfine Transitions in Trapped Ground-State Antihydrogen
Olin, Arthur
2015-01-01
This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4~parts~in~$10^3$. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.
Advantages of Unfair Quantum Ground-State Sampling.
Zhang, Brian Hu; Wagenbreth, Gene; Martin-Mayor, Victor; Hen, Itay
2017-04-21
The debate around the potential superiority of quantum annealers over their classical counterparts has been ongoing since the inception of the field. Recent technological breakthroughs, which have led to the manufacture of experimental prototypes of quantum annealing optimizers with sizes approaching the practical regime, have reignited this discussion. However, the demonstration of quantum annealing speedups remains to this day an elusive albeit coveted goal. We examine the power of quantum annealers to provide a different type of quantum enhancement of practical relevance, namely, their ability to serve as useful samplers from the ground-state manifolds of combinatorial optimization problems. We study, both numerically by simulating stoquastic and non-stoquastic quantum annealing processes, and experimentally, using a prototypical quantum annealing processor, the ability of quantum annealers to sample the ground-states of spin glasses differently than thermal samplers. We demonstrate that (i) quantum annealers sample the ground-state manifolds of spin glasses very differently than thermal optimizers (ii) the nature of the quantum fluctuations driving the annealing process has a decisive effect on the final distribution, and (iii) the experimental quantum annealer samples ground-state manifolds significantly differently than thermal and ideal quantum annealers. We illustrate how quantum annealers may serve as powerful tools when complementing standard sampling algorithms.
On the Ground State Wave Function of Matrix Theory
Lin, Ying-Hsuan
2014-01-01
We propose an explicit construction of the leading terms in the asymptotic expansion of the ground state wave function of BFSS SU(N) matrix quantum mechanics. Our proposal is consistent with the expected factorization property in various limits of the Coulomb branch, and involves a different scaling behavior from previous suggestions. We comment on some possible physical implications.
On the ground state wave function of matrix theory
Lin, Ying-Hsuan; Yin, Xi
2015-11-01
We propose an explicit construction of the leading terms in the asymptotic expansion of the ground state wave function of BFSS SU( N ) matrix quantum mechanics. Our proposal is consistent with the expected factorization property in various limits of the Coulomb branch, and involves a different scaling behavior from previous suggestions. We comment on some possible physical implications.
^{66}Ga ground state β spectrum
DEFF Research Database (Denmark)
Severin, Gregory; Knutson, L. D.; Voytas, P. A.;
2014-01-01
The ground state branch of the β decay of 66Ga is an allowed Fermi (0+ → 0+) transition with a relatively high f t value. The large f t and the isospin-forbidden nature of the transition indicates that the shape of the β spectrum of this branch may be sensitive to higher order contributions...
Magnetic excitons in singlet-ground-state ferromagnets
DEFF Research Database (Denmark)
Birgeneau, R.J.; Als-Nielsen, Jens Aage; Bucher, E.
1971-01-01
The authors report measurements of the dispersion of singlet-triplet magnetic excitons as a function of temperature in the singlet-ground-state ferromagnets fcc Pr and Pr3Tl. Well-defined excitons are observed in both the ferromagnetic and paramagnetic regions, but with energies which are nearly...
Xie, Daiqian; Guo, Hua; Peterson, Kirk A.
2001-12-01
Accurate ab initio potential-energy surfaces of the 3A2 and 3B1 states of ozone and their nonadiabatic coupling are reported near the ground-state equilibrium geometry using an internally contracted multireference configuration interaction method. These coupled three-dimensional potential-energy surfaces enable the first theoretical characterization of all three vibrational modes in the Wulf band. Reasonably good agreement with recent experimental observations is obtained.
An Early Warning System from debris flows based on ground vibration monitoring data
Arattano, Massimo; Coviello, Velio
2015-04-01
-2014. The algorithm is based on the real time processing of ground vibration data detected by three vertical geophones. During the testing period, two debris flow events occurred that were both correctly detected by the algorithm with a relatively limited number of false alarms.
Vibration of a delaminated beam-plate relative to buckled states
Yin, W.-L.; Jane, K. C.
1992-07-01
Free vibrations of delaminated beam-plates with respect to postbuckled referential states are studied. If the postbuckling deformation of the referential state is symmetric with respect to the mid-point, then the symmetric and antisymmetric vibration modes are uncoupled. Short delaminations which do not significantly degradate the overall stiffness of the beam-plate have little effect on the lowest modes of vibration and their frequencies, while the presence of a long delamination generally introduces additional vibration frequencies, the associated mode shapes of which show out-of-phase motions of the upper and lower delaminated layers. These new vibration modes and frequencies depend sensitively on the delamination length and location and on the magnitude of the postbuckling load. Hence their detection may indicate the presence and the nature of internal delamination damage.
Mukuta, Tatsuhiko; Fukazawa, Naoto; Murata, Kei; Inagaki, Akiko; Akita, Munetaka; Tanaka, Sei'ichi; Koshihara, Shin-ya; Onda, Ken
2014-03-03
This work involved a detailed investigation into the infrared vibrational spectra of ruthenium polypyridyl complexes, specifically heteroleptic [Ru(bpy)2(bpm)](2+) (bpy = 2,2'-bipyridine and bpm = 2,2'-bipyrimidine) and homoleptic [Ru(bpy)3](2+), in the excited triplet state. Transient spectra were acquired 500 ps after photoexcitation, corresponding to the vibrational ground state of the excited triplet state, using time-resolved infrared spectroscopy. We assigned the observed bands to specific ligands in [Ru(bpy)2(bpm)](2+) based on the results of deuterium substitution and identified the corresponding normal vibrational modes using quantum-chemical calculations. Through this process, the more complex vibrational bands of [Ru(bpy)3](2+) were assigned to normal vibrational modes. The results are in good agreement with the model in which excited electrons are localized on a single ligand. We also found that the vibrational bands of both complexes associated with the ligands on which electrons are little localized appear at approximately 1317 and 1608 cm(-1). These assignments should allow the study of the reaction dynamics of various photofunctional systems including ruthenium polypyridyl complexes.
Collective excitations, instabilities, and ground state in dense quark matter
Gorbar, E V; Miransky, V A; Shovkovy, I A; Hashimoto, Michio
2006-01-01
We study the spectrum of light plasmons in the (gapped and gapless) two-flavor color superconducting phases and its connection with the chromomagnetic instabilities and the structure of the ground state. It is revealed that the chromomagnetic instabilities in the 4-7th and 8th gluonic channels correspond to two very different plasmon spectra. These spectra lead us to the unequivocal conclusion about the existence of gluonic condensates (some of which can be spatially inhomogeneous) in the ground state. We also argue that spatially inhomogeneous gluonic condensates should exist in the three-flavor quark matter with the values of the mass of strange quark corresponding to the gapless color-flavor locked state.
Fate of the Superconducting Ground State on the Moyal Plane
Basu, Prasad; Vaidya, Sachindeo
2009-01-01
It is known that Berry curvature of the band structure of certain crystals can lead to effective noncommutativity between spatial coordinates. Using the techniques of twisted quantum field theory, we investigate the question of the formation of a paired state of twisted fermions in such a system. We find that to leading order in the noncommutativity parameter, the gap between the non-interacting ground state and the paired state is {\\it smaller} compared to its commutative counterpart. This suggests that BCS type superconductivity, if present in such systems, is more fragile and easier to disrupt.
Directory of Open Access Journals (Sweden)
Liang Ying
2015-12-01
Full Text Available One of the unique characteristics of a ground target is its micro-motion, which can be used for target classification and identification. In this study, methods for vibrating ground target detection and feature extraction of the one-stationary bistatic frequency-modulated continuous-wave Synthetic Aperture Radar (SAR are studied. The Displaced Phase Center Antenna (DPCA technique is adopted to suppress the ground clutter, allowing the ground-vibrating targets to be detected. Analysis of the received signal indicates that the DPCA processing results in a slow time-varying envelope, known as the Slow Time Envelope (STE. The STE has a direct effect on the micro-Doppler time-frequency curve, which therefore cannot be obtained unbroken. Furthermore, vibrating features are extracted by utilizing their relationship with the STE term. Finally, some simulations are provided to validate the theoretical derivation and effectiveness of the proposed extraction method.
Mixed configuration ground state in iron(II) phthalocyanine
Energy Technology Data Exchange (ETDEWEB)
Fernandez-Rodriguez, Javier; Toby, Brian; van Veenendaal, Michel
2015-06-23
We calculate the angular dependence of the x-ray linear and circular dichroism at the L2,3 edges of α-Fe(II) Phthalocyanine (FePc) thin films using a ligand-field model with full configuration interaction. We find the best agreement with the experimental spectra for a mixed ground state of 3E (a2 e3b1 ) and 3B (a1 e4b1 ) g 1g g 2g 2g 1g g 2g with the two configurations coupled by the spin-orbit interaction. The 3Eg(b) and 3B2g states have easy-axis and easy-plane anisotropies, respectively. Our model accounts for an easy-plane magnetic anisotropy and the measured magnitudes of the in-plane orbital and spin moments. The proximity in energy of the two configurations allows a switching of the magnetic anisotropy from easy plane to easy axis with a small change in the crystal field, as recently observed for FePc adsorbed on an oxidized Cu surface. We also discuss the possibility of a quintet ground state (5A1g is 250 meV above the ground state) with planar anisotropy by manipulation of the Fe-C bond length by depositing the complex on a substrate that is subjected to a mechanical strain.
Directory of Open Access Journals (Sweden)
Gaetano Di Mino
2009-01-01
This paper deals with the study of the effect, in terms of reduction of vertical and horizontal displacements and velocities, of the open trenches. 2D FEM simulations have been performed and several open trench configurations have been analysed varying the main geometric features such as width and depth, distance from the rail, thickness of the soil layer over the rigid bedrock, type of the ground, ratio between the depth of the trench, and the thickness of the soil layer. For quantifying the influence of the above specified parameters in reducing ground-borne vibrations an analysis using artificial neural networks (ANNs has been carried out. Results show that among the geometric parameters the role of the depth of the trench is very significant; however the influence of the depth must be also evaluated in relation to the thickness of the soil layer.
Mihaila, Bogdan; Heisenberg, Jochen
2000-04-01
We continue the investigations of ground state properties of closed-shell nuclei using the Argonne v18 realistic NN potential, together with the Urbana IX three-nucleon interaction. The ground state wave function is used to calculate the charge form factor and charge density. Starting with the ground state wave function of the closed-shell nucleus, we use the equation of motion technique to calculate the ground state and excited states of a neighboring nucleus. We then generate the corresponding magnetic form factor. We correct for distortions due to the interaction between the electron probe and the nuclear Coulomb field using the DWBA picture. We compare our results with the available experimental data. Even though our presentation will focus mainly on the ^16O and ^15N nuclei, results for other nuclei in the p and s-d shell will also be presented.
Simulation of the hydrogen ground state in stochastic electrodynamics
Nieuwenhuizen, Theo M.; Liska, Matthew T. P.
2015-10-01
Stochastic electrodynamics is a classical theory which assumes that the physical vacuum consists of classical stochastic fields with average energy \\frac{1}{2}{{\\hslash }}ω in each mode, i.e., the zero-point Planck spectrum. While this classical theory explains many quantum phenomena related to harmonic oscillator problems, hard results on nonlinear systems are still lacking. In this work the hydrogen ground state is studied by numerically solving the Abraham-Lorentz equation in the dipole approximation. First the stochastic Gaussian field is represented by a sum over Gaussian frequency components, next the dynamics is solved numerically using OpenCL. The approach improves on work by Cole and Zou 2003 by treating the full 3d problem and reaching longer simulation times. The results are compared with a conjecture for the ground state phase space density. Though short time results suggest a trend towards confirmation, in all attempted modellings the atom ionises at longer times.
Ground-State Phase Diagram of S = 1 Diamond Chains
Hida, Kazuo; Takano, Ken'ichi
2017-03-01
We investigate the ground-state phase diagram of a spin-1 diamond chain. Owing to a series of conservation laws, any eigenstate of this system can be expressed using the eigenstates of finite odd-length chains or infinite chains with spins 1 and 2. The ground state undergoes quantum phase transitions with varying λ, a parameter that controls frustration. Exact upper and lower bounds for the phase boundaries between these phases are obtained. The phase boundaries are determined numerically in the region not explored in a previous work [Takano et al., https://doi.org/10.1088/0953-8984/8/35/009" xlink:type="simple">J. Phys.: Condens. Matter 8, 6405 (1996)].
Cluster expansion for ground states of local Hamiltonians
Bastianello, Alvise; Sotiriadis, Spyros
2016-08-01
A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
Ground-state structures of atomic metallic hydrogen.
McMahon, Jeffrey M; Ceperley, David M
2011-04-22
Ab initio random structure searching using density functional theory is used to determine the ground-state structures of atomic metallic hydrogen from 500 GPa to 5 TPa. Including proton zero-point motion within the harmonic approximation, we estimate that molecular hydrogen dissociates into a monatomic body-centered tetragonal structure near 500 GPa (r(s)=1.23) that remains stable to 1 TPa (r(s)=1.11). At higher pressures, hydrogen stabilizes in an …ABCABC… planar structure that is similar to the ground state of lithium, but with a different stacking sequence. With increasing pressure, this structure compresses to the face-centered cubic lattice near 3.5 TPa (r(s)=0.92).
Non-uniform ground state for the Bose gas
2000-01-01
We study the ground state, sum a_X |X>, of N hard-core bosons on a finite lattice in configuration space, X={x_1,...,x_N}. All a_X being positive, the ratios a_X / sum a_Y can be interpreted as probabilities P_a (X). Let E denote the energy of the ground state and B_X the number of nearest-neighbor particle-hole pairs in the configuration X. We prove the concentration of P_a to X's with B_X in a sqrt(|E|)-neighborhood of |E|, show that the average of a_X over configurations with B_X=n increas...
Cluster expansion for ground states of local Hamiltonians
Directory of Open Access Journals (Sweden)
Alvise Bastianello
2016-08-01
Full Text Available A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
The ground state in a spin-one color superconductor
Schmitt, A
2004-01-01
Color superconductors in which quarks of the same flavor form Cooper pairs are investigated. These Cooper pairs carry total spin one. A systematic group-theoretical classification of possible phases in a spin-one color superconductor is presented, revealing parallels and differences to the theory of superfluid $^3$He. General expressions for the gap parameter, the critical temperature, and the pressure are derived and evaluated for several spin-one phases, with special emphasis on the angular structure of the gap equation. It is shown that, in a spin-one color superconductor, the (transverse) A phase is expected to be the ground state. This is in contrast to $^3$He, where the ground state is in the B phase.
Cluster expansion for ground states of local Hamiltonians
Energy Technology Data Exchange (ETDEWEB)
Bastianello, Alvise, E-mail: abastia@sissa.it [SISSA, via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste (Italy); Sotiriadis, Spyros [SISSA, via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste (Italy); Institut de Mathématiques de Marseille (I2M), Aix Marseille Université, CNRS, Centrale Marseille, UMR 7373, 39, rue F. Joliot Curie, 13453, Marseille (France); University of Roma Tre, Department of Mathematics and Physics, L.go S.L. Murialdo 1, 00146 Roma (Italy)
2016-08-15
A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
Room temperature skyrmion ground state stabilized through interlayer exchange coupling
Energy Technology Data Exchange (ETDEWEB)
Chen, Gong, E-mail: gchenncem@gmail.com; Schmid, Andreas K. [NCEM, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Mascaraque, Arantzazu [Depto. Física de Materiales, Universidad Complutense de Madrid, 28040 Madrid (Spain); Unidad Asociada IQFR (CSIC) - UCM, 28040 Madrid (Spain); N' Diaye, Alpha T. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2015-06-15
Possible magnetic skyrmion device applications motivate the search for structures that extend the stability of skyrmion spin textures to ambient temperature. Here, we demonstrate an experimental approach to stabilize a room temperature skyrmion ground state in chiral magnetic films via exchange coupling across non-magnetic spacer layers. Using spin polarized low-energy electron microscopy to measure all three Cartesian components of the magnetization vector, we image the spin textures in Fe/Ni films. We show how tuning the thickness of a copper spacer layer between chiral Fe/Ni films and perpendicularly magnetized Ni layers permits stabilization of a chiral stripe phase, a skyrmion phase, and a single domain phase. This strategy to stabilize skyrmion ground states can be extended to other magnetic thin film systems and may be useful for designing skyrmion based spintronics devices.
Terahertz spectroscopy of ground state HD18O
Yu, Shanshan; Pearson, John C.; Drouin, Brian J.; Miller, Charles E.; Kobayashi, Kaori; Matsushima, Fusakazu
2016-10-01
Terahertz absorption spectroscopy was employed to measure the ground state pure rotational transitions of the water isotopologue HD18O . A total of 105 pure rotational transitions were observed in the 0.5-5.0 THz region with ∼ 100 kHz accuracy for the first time. The observed positions were fit to experimental accuracy using the Euler series expansion of the asymmetric-top Hamiltonian together with the literature Microwave, Far-IR and IR data in the ground state and ν2 . The new measurements and predictions reported here support the analysis of astronomical observations by high-resolution spectroscopic telescopes such as SOFIA and ALMA where laboratory rest frequencies with uncertainties of 1 MHz or less are required for proper analysis of velocity resolved astrophysical data.
Ground state solutions for non-local fractional Schrodinger equations
Directory of Open Access Journals (Sweden)
Yang Pu
2015-08-01
Full Text Available In this article, we study a time-independent fractional Schrodinger equation with non-local (regional diffusion $$ (-\\Delta^{\\alpha}_{\\rho}u + V(xu = f(x,u \\quad \\text{in }\\mathbb{R}^{N}, $$ where $\\alpha \\in (0,1$, $N > 2\\alpha$. We establish the existence of a non-negative ground state solution by variational methods.
0{sup +} ground state dominance in many-body systems
Energy Technology Data Exchange (ETDEWEB)
Zhao, Yu-Min [Southeast Univ., Dept. of Physics, Nanjing (China); Arima, Akito [The House of Councilors, Tokyo (Japan); Yoshinaga, Naotaka [Saitama Univ., Physics Dept., Saitama (Japan)
2002-12-01
We propose a simple approach to predict the angular momentum I ground states (Ig.s.) probabilities of many-body systems without diagonalization of the hamiltonian using random interactions. It is suggested that the 0g.s. dominance in boson systems and even valence nucleon systems is not given by the model space as previously assumed, but by specific two-body interactions. (author)
Detecting topological order in a ground state wave function
2005-01-01
A large class of topological orders can be understood and classified using the string-net condensation picture. These topological orders can be characterized by a set of data (N, d_i, F^{ijk}_{lmn}, \\delta_{ijk}). We describe a way to detect this kind of topological order using only the ground state wave function. The method involves computing a quantity called the ``topological entropy'' which directly measures the quantum dimension D = \\sum_i d^2_i.
Institute of Scientific and Technical Information of China (English)
Ranjan Kumar; Deepankar Choudhury; Kapilesh Bhargava
2016-01-01
In the recent decades, effects of blast loads on natural and man-made structures have gained considerable attention due to increase in threat from various man-made activities. Site-specific empirical relationships for calculation of blast-induced vibration parameters like peak particle velocity (PPV) and peak particle displacement (PPD) are commonly used for estimation of blast loads in design. However, these relation-ships are not able to consider the variation in rock parameters and uncertainty of in situ conditions. In this paper, a total of 1089 published blast data of various researchers in different rock sites have been collected and used to propose generalized empirical model for PPV by considering the effects of rock parameters like unit weight, rock quality designation (RQD), geological strength index (GSI), and uniaxial compressive strength (UCS). The proposed PPV model has a good correlation coefficient and hence it can be directly used in prediction of blast-induced vibrations in rocks. Standard errors and coefficient of correlations of the predicted blast-induced vibration parameters are obtained with respect to the observed field data. The proposed empirical model for PPV has also been compared with the empirical models available for blast vibrations predictions given by other researchers and found to be in good agreement with specific cases.
Geweke, Jan; Shirhatti, Pranav R; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M
2016-08-07
In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed-presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]-50 times smaller than those reported here-were influenced by erroneous assignment of spectroscopic lines used in the data analysis.
Geweke, Jan; Shirhatti, Pranav R.; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M.
2016-08-01
In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed—presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]—50 times smaller than those reported here—were influenced by erroneous assignment of spectroscopic lines used in the data analysis.
Reduced M(atrix) theory models: ground state solutions
López, J L
2015-01-01
We propose a method to find exact ground state solutions to reduced models of the SU($N$) invariant matrix model arising from the quantization of the 11-dimensional supermembrane action in the light-cone gauge. We illustrate the method by applying it to lower dimensional toy models and for the SU(2) group. This approach could, in principle, be used to find ground state solutions to the complete 9-dimensional model and for any SU($N$) group. The Hamiltonian, the supercharges and the constraints related to the SU($2$) symmetry are built from operators that generate a multicomponent spinorial wave function. The procedure is based on representing the fermionic degrees of freedom by means of Dirac-like gamma matrices, as was already done in the first proposal of supersymmetric (SUSY) quantum cosmology. We exhibit a relation between these finite $N$ matrix theory ground state solutions and SUSY quantum cosmology wave functions giving a possible physical significance of the theory even for finite $N$.
Alternative ground states enable pathway switching in biological electron transfer
Abriata, Luciano A.; Álvarez-Paggi, Damián; Ledesma, Gabriela N.; Blackburn, Ninian J.; Vila, Alejandro J.; Murgida, Daniel H.
2012-01-01
Electron transfer is the simplest chemical reaction and constitutes the basis of a large variety of biological processes, such as photosynthesis and cellular respiration. Nature has evolved specific proteins and cofactors for these functions. The mechanisms optimizing biological electron transfer have been matter of intense debate, such as the role of the protein milieu between donor and acceptor sites. Here we propose a mechanism regulating long-range electron transfer in proteins. Specifically, we report a spectroscopic, electrochemical, and theoretical study on WT and single-mutant CuA redox centers from Thermus thermophilus, which shows that thermal fluctuations may populate two alternative ground-state electronic wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. These findings suggest a unique role for alternative or “invisible” electronic ground states in directional electron transfer. Moreover, it is shown that this energy gap and, therefore, the equilibrium between ground states can be fine-tuned by minor perturbations, suggesting alternative ways through which protein–protein interactions and membrane potential may optimize and regulate electron–proton energy transduction. PMID:23054836
Nuclear ground-state masses and deformations: FRDM(2012)
Moller, P; Ichikawa, T; Sagawa, H
2015-01-01
We tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from $^{16}$O to $A=339$. The calculations are based on the finite-range droplet macroscopic model and the folded-Yukawa single-particle microscopic model. Relative to our FRDM(1992) mass table in {\\sc Atomic Data and Nuclear Data Tables} [{\\bf 59} 185 (1995)], the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensive and more accurate experimental mass data base now available allows us to determine one additional macroscopic-model parameter, the density-symmetry coefficient $L$, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some high...
Coupled cluster calculations of ground and excited states of nuclei
Kowalski, K L; Hjorth-Jensen, M; Papenbrock, T; Piecuch, P
2004-01-01
The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He-4 and O-16 nuclei. A comparison of coupled cluster results with the results of the exact diagonalization of the Hamiltonian in the same model space shows that the quantum chemistry inspired coupled cluster approximations provide an excellent description of ground and excited states of nuclei. The bulk of the correlation effects is obtained at the coupled cluster singles and doubles level. Triples, treated noniteratively, provide the virtually exact description.
Efficient Raman sideband cooling of trapped ions to their motional ground state
Che, H.; Deng, K.; Xu, Z. T.; Yuan, W. H.; Zhang, J.; Lu, Z. H.
2017-07-01
Efficient cooling of trapped ions is a prerequisite for various applications of the ions in precision spectroscopy, quantum information, and coherence control. Raman sideband cooling is an effective method to cool the ions to their motional ground state. We investigate both numerically and experimentally the optimization of Raman sideband cooling strategies and propose an efficient one, which can simplify the experimental setup as well as reduce the number of cooling pulses. Several cooling schemes are tested and compared through numerical simulations. The simulation result shows that the fixed-width pulses and varied-width pulses have almost the same efficiency for both the first-order and the second-order Raman sideband cooling. The optimized strategy is verified experimentally. A single 25Mg+ ion is trapped in a linear Paul trap and Raman sideband cooled, and the achieved average vibrational quantum numbers under different cooling strategies are evaluated. A good agreement between the experimental result and the simulation result is obtained.
Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I
Takahashi, Masae; Ishikawa, Yoichi
2013-06-01
We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.
Directory of Open Access Journals (Sweden)
Ze Zhang
2014-01-01
Full Text Available A feedback control method based on an extended state observer (ESO method is implemented to vibration reduction in a typical semiactive suspension (SAS system using a magnetorheological (MR damper as actuator. By considering the dynamic equations of the SAS system and the MR damper model, an active disturbance rejection control (ADRC is designed based on the ESO. Numerical simulation and real-time experiments are carried out with similar vibration disturbances. Both the simulation and experimental results illustrate the effectiveness of the proposed controller in vibration suppression for a SAS system.
STABILITY AND NATURAL VIBRATIONS OF INHOMOGENEOUS SHELLS TAKING INTO ACCOUNT THE STRESS STATE
Directory of Open Access Journals (Sweden)
Bazhenov V.A.
2015-12-01
Full Text Available The work is devoted to the problem of developing a unified methodology based on the efficient numerical analysis of problems of stability and natural vibrations of a wide class of inhomogeneous shells, thin and medium thickness. In problems of its natural vibrations takes into account the presence of a pre-stressed state of the structure from the action of static loads, which significantly affect the spectrum of natural vibrations and allows determining the bifurcation point and the value of the critical force of buckling by dynamic criteria.
Ground states of fermionic lattice Hamiltonians with permutation symmetry
Kraus, Christina V.; Lewenstein, Maciej; Cirac, J. Ignacio
2013-08-01
We study the ground states of lattice Hamiltonians that are invariant under permutations, in the limit where the number of lattice sites N→∞. For spin systems, these are product states, a fact that follows directly from the quantum de Finetti theorem. For fermionic systems, however, the problem is very different, since mode operators acting on different sites do not commute, but anticommute. We construct a family of fermionic states, F, from which such ground states can be easily computed. They are characterized by few parameters whose number only depends on M, the number of modes per lattice site. We also give an explicit construction for M=1,2. In the first case, F is contained in the set of Gaussian states, whereas in the second it is not. Inspired by that construction, we build a set of fermionic variational wave functions, and apply it to the Fermi-Hubbard model in two spatial dimensions, obtaining results that go beyond the generalized Hartree-Fock theory.
Ground state energies from converging and diverging power series expansions
Lisowski, C.; Norris, S.; Pelphrey, R.; Stefanovich, E.; Su, Q.; Grobe, R.
2016-10-01
It is often assumed that bound states of quantum mechanical systems are intrinsically non-perturbative in nature and therefore any power series expansion methods should be inapplicable to predict the energies for attractive potentials. However, if the spatial domain of the Schrödinger Hamiltonian for attractive one-dimensional potentials is confined to a finite length L, the usual Rayleigh-Schrödinger perturbation theory can converge rapidly and is perfectly accurate in the weak-binding region where the ground state's spatial extension is comparable to L. Once the binding strength is so strong that the ground state's extension is less than L, the power expansion becomes divergent, consistent with the expectation that bound states are non-perturbative. However, we propose a new truncated Borel-like summation technique that can recover the bound state energy from the diverging sum. We also show that perturbation theory becomes divergent in the vicinity of an avoided-level crossing. Here the same numerical summation technique can be applied to reproduce the energies from the diverging perturbative sums.
Probing ground and low-lying excited states for HIO{sub 2} isomers
Energy Technology Data Exchange (ETDEWEB)
Souza, Gabriel L. C. de [Departamento de Química, Universidade Federal de Mato Grosso, Cuiabá, Mato Grosso 78060-900 (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Itacoatiara, Amazonas 69100-000 (Brazil); Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Brown, Alex, E-mail: alex.brown@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)
2014-12-21
We present a computational study on HIO{sub 2} molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10{sup −3})
Probing ground and low-lying excited states for HIO2 isomers
de Souza, Gabriel L. C.; Brown, Alex
2014-12-01
We present a computational study on HIO2 molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10-3).
Vibrational state distribution of 2-Na^+ ions created in ultracold collisions
Blangé, J.J.; Zijlstra, J.M.; Amelink, A.; Urbain, X.; Rudolph, H.; Straten, P. van der; Heideman, H.G.M.
2001-01-01
The vibrational distribution P(v) of 2-Na^+ ions created in ultracold collisions in a magneto-optical trap has been deter- mined. Only two vibrational states with v = 2 and 3 are popu- lated and we find P(2)=0.29±0.02 and P(3)=0.71±0.02. The results provide conclusive evidence that the ionization me
Vibrational state distribution of 2-Na^+ ions created in ultracold collisions
Blangé, J.J.; Zijlstra, J.M.; Amelink, A.; Urbain, X.; Rudolph, H.; Straten, P. van der; Heideman, H.G.M.
1997-01-01
The vibrational distribution P(v) of 2-Na^+ ions created in ultracold collisions in a magneto-optical trap has been deter- mined. Only two vibrational states with v = 2 and 3 are popu- lated and we find P(2)=0.29±0.02 and P(3)=0.71±0.02. The results provide conclusive evidence that the
Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe
2007-01-14
Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.
Numerical methods for analysis of structure and ground vibration from moving loads
DEFF Research Database (Denmark)
Andersen, L.; Nielsen, S.R.K.; Krenk, Steen
2007-01-01
An overview of the main theoretical aspects of finite-element and boundary-element modelling of the response to moving loads is given. The moving loads represent sources of noise and vibration generated by moving vehicles, and the analysis describes the propagation of the disturbances generated i...... recent results from the Danish research programme 'Damping Mechanisms in Dynamics of Structures and Materials' as a basis for a general discussion and review of the recent literature on the subject....
Electronic ground state OH(X) radical in a low-temperature atmospheric pressure plasma jet
Fuh, Che A.; Clark, Shane M.; Wu, Wei; Wang, Chuji
2016-10-01
The wide applicability of atmospheric pressure plasma jets in biomedicine stems from the presence of reactive nitrogen and oxygen species generated in these plasma jets. Knowing the absolute concentration of these reactive species is of utmost importance as it is critical, along with the particle flux obtained from the plasma feed gas flow rate to ensure that the correct dosage is applied during applications. In this study, we investigate and report the ground state OH(X) number density acquired using cavity ringdown spectroscopy, along the propagation axis (z-axis) of a cold atmospheric pressure helium plasma plume. The jet was generated by a repetitively pulsed mono-polar square wave of duration 1 μs running at a frequency of 9.9 kHz. The voltage supplied was 6.5 kV with the helium flow rate fixed at 3.6 standard liters per minute. The rotational and vibrational temperatures are simulated from the second positive system of nitrogen, N 2(C3πu-B3πg) , with the rotational temperature being spatially constant at 300 K along the propagation axis of the atmospheric pressure plasma jet while the vibrational temperature is 3620 K at the beginning of the plume and is observed to decrease downstream. The OH(A) emission intensity obtained via optical emission spectroscopy was observed to decrease downstream of the plasma jet. The OH(X) number density along the propagation axis was initially 2.2 × 1013 molecules cm-3 before increasing to a peak value of 2.4 × 1013 molecules cm-3, from which the number density was observed to decrease to 2.2 × 1013 molecules cm-3 downstream of the plasma jet. The total OH(A, X) in the plasma jet remained relatively constant along the propagation axis of the plasma jet before falling off at the tip of the jet. The increase in vibrational temperature downstream and the simultaneous measurements of both the excited state OH(A) and the ground state OH(X) reported in this study provide insights into the formation and consumption of this
Interception of excited vibrational quantum states by O2 in atmospheric association reactions.
Glowacki, David R; Lockhart, James; Blitz, Mark A; Klippenstein, Stephen J; Pilling, Michael J; Robertson, Struan H; Seakins, Paul W
2012-08-31
Bimolecular reactions in Earth's atmosphere are generally assumed to proceed between reactants whose internal quantum states are fully thermally relaxed. Here, we highlight a dramatic role for vibrationally excited bimolecular reactants in the oxidation of acetylene. The reaction proceeds by preliminary adduct formation between the alkyne and OH radical, with subsequent O(2) addition. Using a detailed theoretical model, we show that the product-branching ratio is determined by the excited vibrational quantum-state distribution of the adduct at the moment it reacts with O(2). Experimentally, we found that under the simulated atmospheric conditions O(2) intercepts ~25% of the excited adducts before their vibrational quantum states have fully relaxed. Analogous interception of excited-state radicals by O(2) is likely common to a range of atmospheric reactions that proceed through peroxy complexes.
Switch of states of a short chain in response to vibrations
Sun, Yu-Cen; Huang, Jung-Ren; Tao, Chiao-Yu; Tsai, Jih-Chiang
2014-11-01
We study experimentally the dynamics of a short ball chain confined in a quasi-2D vertical channel under different vibrational strengths(VS). For a substantial range of VS, the chain maintains period-1 bouncing with the channel, but also undergoes transitions from a uniform response to various states of excitations as VS increases. In the transitional zone, we find that the unexcited and excited states exhibit bistability and switch spontaneously at fixed values of VS. This coexistence of different states explains the stocastic switch of ratcheting behaviors we reported previously in Phys. Rev. Lett. 112, 058001 (2014) where a spatial gradient of vibration is imposed.
Estimating the ground-state probability of a quantum simulation with product-state measurements
Directory of Open Access Journals (Sweden)
Bryce eYoshimura
2015-10-01
Full Text Available .One of the goals in quantum simulation is to adiabatically generate the ground state of a complicated Hamiltonian by starting with the ground state of a simple Hamiltonian and slowly evolving the system to the complicated one. If the evolution is adiabatic and the initial and final ground states are connected due to having the same symmetry, then the simulation will be successful. But in most experiments, adiabatic simulation is not possible because it would take too long, and the system has some level of diabatic excitation. In this work, we quantify the extent of the diabatic excitation even if we do not know {it a priori} what the complicated ground state is. Since many quantum simulator platforms, like trapped ions, can measure the probabilities to be in a product state, we describe techniques that can employ these simple measurements to estimate the probability of being in the ground state of the system after the diabatic evolution. These techniques do not require one to know any properties about the Hamiltonian itself, nor to calculate its eigenstate properties. All the information is derived by analyzing the product-state measurements as functions of time.
Directory of Open Access Journals (Sweden)
Peng Guo
2012-12-01
Full Text Available With appropriate vibration modeling and analysis the incipient failure of key components such as the tower, drive train and rotor of a large wind turbine can be detected. In this paper, the Nonlinear State Estimation Technique (NSET has been applied to model turbine tower vibration to good effect, providing an understanding of the tower vibration dynamic characteristics and the main factors influencing these. The developed tower vibration model comprises two different parts: a sub-model used for below rated wind speed; and another for above rated wind speed. Supervisory control and data acquisition system (SCADA data from a single wind turbine collected from March to April 2006 is used in the modeling. Model validation has been subsequently undertaken and is presented. This research has demonstrated the effectiveness of the NSET approach to tower vibration; in particular its conceptual simplicity, clear physical interpretation and high accuracy. The developed and validated tower vibration model was then used to successfully detect blade angle asymmetry that is a common fault that should be remedied promptly to improve turbine performance and limit fatigue damage. The work also shows that condition monitoring is improved significantly if the information from the vibration signals is complemented by analysis of other relevant SCADA data such as power performance, wind speed, and rotor loads.
Directory of Open Access Journals (Sweden)
Daniel Tirelli
2014-01-01
Full Text Available A new passive device for mitigating cable vibrations is proposed and its efficiency is assessed on 45-meter long taut cables through a series of free and forced vibration tests. It consists of a unilateral spring attached perpendicularly to the cable near the anchorage. Because of its ability to change the cable dynamic behaviour through intermittent activation, the device has been called state switched inducer (SSI. The cable behaviour is shown to be deeply modified by the SSI: the forced vibration response is anharmonicc and substantially reduced in amplitude whereas the free vibration decay is largely sped up through a beating phenomenon. The vibration mitigation effect is mainly due to the activation and coupling of various vibration modes, as evidenced in the response spectra of the equipped cable. This first large-scale experimental campaign shows that the SSI outperforms classical passive devices, thus paving the way to a new kind of low-cost vibration mitigation systems which do not rely on dissipation.
Vibration Testing - Reviewing the State of the Art
Energy Technology Data Exchange (ETDEWEB)
Hunter, N.F.
1999-06-23
Vibration testing has advanced significantly over the past several decades. Comparatively speaking, enormous volumes of acceleration data are now available for virtually every vibration test. This data is readily compressed into frequency response functions and modal models. The modal models are compared with corresponding analytical models. Model updating techniques are used to adjust analytical model parameters to minimize the differences between model and test frequencies and mode shapes. These are very positive developments. Model and testing limitations lie in areas other than the direct recording and translation of acceleration data to modal models. Two major limitations of models are the inability to model damping and the limited degree to which nonlinear behavior is incorporated into model construction and model validation. Much more thorough understanding of damping mechanisms in real structures is required. Currently we know enough to bound the range of damping values for some typical structures. A much more thorough understanding of mechanical joints is required to accurately model structural joints. Some studies now underway offer a beginning to such understanding.
Ultracold Heteronuclear Mixture of Ground and Excited State Atoms
Khramov, Alexander; Dowd, William; Roy, Richard; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana; Gupta, Subhadeep
2014-01-01
We report on the realization of an ultracold mixture of lithium atoms in the ground state and ytterbium atoms in the excited metastable 3P2 state. Such a mixture can support broad magnetic Feshbach resonances which may be utilized for the production of ultracold molecules with an electronic spin degree of freedom, as well as novel Efimov trimers. We investigate the interaction properties of the mixture in the presence of an external magnetic field and find an upper limit for the background interspecies two-body inelastic decay coefficient of K'2 < 3e-12 cm^3/s for the 3P2 m_J=-1 substate. We calculate the dynamic polarizabilities of the Yb 3P2 magnetic substates for a range of wavelengths, and find good agreement with our measurements at 1064nm. Our calculations also allow the identification of magic frequencies where Yb ground and metastable states are identically trapped and the determination of the interspecies van der Waals coefficients.
Spatial competition of the ground states in 1111 iron pnictides
Lang, G.; Veyrat, L.; Gräfe, U.; Hammerath, F.; Paar, D.; Behr, G.; Wurmehl, S.; Grafe, H.-J.
2016-07-01
Using nuclear quadrupole resonance, the phase diagram of 1111 R FeAsO1 -xFx (R =La , Ce, Sm) iron pnictides is constructed as a function of the local charge distribution in the paramagnetic state, which features low-doping-like (LD-like) and high-doping-like (HD-like) regions. Compounds based on magnetic rare earths (Ce, Sm) display a unified behavior, and comparison with La-based compounds reveals the detrimental role of static iron 3 d magnetism on superconductivity, as well as a qualitatively different evolution of the latter at high doping. It is found that the LD-like regions fully account for the orthorhombicity of the system, and are thus the origin of any static iron magnetism. Orthorhombicity and static magnetism are not hindered by superconductivity but limited by dilution effects, in agreement with two-dimensional (2D) (respectively three-dimensional) nearest-neighbor square lattice site percolation when the rare earth is nonmagnetic (respectively magnetic). The LD-like regions are not intrinsically supportive of superconductivity, contrary to the HD-like regions, as evidenced by the well-defined Uemura relation between the superconducting transition temperature and the superfluid density when accounting for the proximity effect. This leads us to propose a complete description of the interplay of ground states in 1111 pnictides, where nanoscopic regions compete to establish the ground state through suppression of superconductivity by static magnetism, and extension of superconductivity by proximity effect.
Ground State Correlations and the Multiconfiguration Mixing Method
Pillet, N; Van Giai, N; Berger, J F; Giai, Nguyen Van
2004-01-01
We study the convergence properties of a truncation scheme in describing the ground state properties of a many-particle system of fermions. The model wave function is built within a multiconfiguration mixing approach where the many-body wave function is described as a superposition of multiparticle-multihole configurations constructed upon a Slater determinant. The convergence properties of physical quantities such as correlation energies and single-particle occupation probabilities in terms of the increasing number of particle-hole configurations are investigated for the case of an exactly solvable pairing hamiltonian.
Ground-state spin of {sup 59}Mn
Energy Technology Data Exchange (ETDEWEB)
Oinonen, M.; Koester, U.; Aeystoe, J. [CERN, Geneva (Switzerland). EP Div.; Fedoseyev, V.; Mishin, V. [Rossijskaya Akademiya Nauk, Troitsk (Russian Federation). Inst. Spektroskopii; Huikari, J.; Jokinen, A.; Nieminen, A.; Peraejaervi, K. [Jyvaeskylae Univ. (Finland). Dept. of Physics; Knipper, A.; Walter, G. [Institute de Recherches Subatomiques, 67 - Strasbourg (France)
2001-02-01
Beta-decay of {sup 59}Mn has been studied at PSB-ISOLDE, CERN. The intense and pure Mn beam was produced using the Resonance Ionization Laser Ion Source (RILIS). Based on the measured {beta}-decay rates the ground-state spin and parity are proposed to be J{sup {pi}} = 5/2{sup -}. This result is consistent with the systematic trend of the odd-A Mn nuclei and extends the systematics one step further towards the neutron drip line. (orig.)
Triaxiality near the 110Ru ground state from Coulomb excitation
Doherty, D. T.; Allmond, J. M.; Janssens, R. V. F.; Korten, W.; Zhu, S.; Zielińska, M.; Radford, D. C.; Ayangeakaa, A. D.; Bucher, B.; Batchelder, J. C.; Beausang, C. W.; Campbell, C.; Carpenter, M. P.; Cline, D.; Crawford, H. L.; David, H. M.; Delaroche, J. P.; Dickerson, C.; Fallon, P.; Galindo-Uribarri, A.; Kondev, F. G.; Harker, J. L.; Hayes, A. B.; Hendricks, M.; Humby, P.; Girod, M.; Gross, C. J.; Klintefjord, M.; Kolos, K.; Lane, G. J.; Lauritsen, T.; Libert, J.; Macchiavelli, A. O.; Napiorkowski, P. J.; Padilla-Rodal, E.; Pardo, R. C.; Reviol, W.; Sarantites, D. G.; Savard, G.; Seweryniak, D.; Srebrny, J.; Varner, R.; Vondrasek, R.; Wiens, A.; Wilson, E.; Wood, J. L.; Wu, C. Y.
2017-03-01
A multi-step Coulomb excitation measurement with the GRETINA and CHICO2 detector arrays was carried out with a 430-MeV beam of the neutron-rich 110Ru (t1/2 = 12 s) isotope produced at the CARIBU facility. This represents the first successful measurement following the post-acceleration of an unstable isotope of a refractory element. The reduced transition probabilities obtained for levels near the ground state provide strong evidence for a triaxial shape; a conclusion confirmed by comparisons with the results of beyond-mean-field and triaxial rotor model calculations.
Evidence for the ground-state resonance of 26O
Lunderberg, E; Kohley, Z; Attanayake, H; Baumann, T; Bazin, D; Christian, G; Divaratne, D; Grimes, S M; Haagsma, A; Finck, J E; Frank, N; Luther, B; Mosby, S; Nagy, T; Peaslee, G F; Schiller, A; Snyder, J; Spyrou, A; Strongman, M J; Thoennessen, M
2012-01-01
Evidence for the ground state of the neutron-unbound nucleus 26O was observed for the first time in the single proton-knockout reaction from a 82 MeV/u 27F beam. Neutrons were measured in coincidence with 24O fragments. 26O was determined to be unbound by 150+50-150 keV from the observation of low-energy neutrons. This result agrees with recent shell model calculations based on microscopic two- and three-nucleon forces.
First Observation of Ground State Dineutron Decay: Be16
Spyrou, A.; Kohley, Z.; Baumann, T.; Bazin, D.; Brown, B. A.; Christian, G.; Deyoung, P. A.; Finck, J. E.; Frank, N.; Lunderberg, E.; Mosby, S.; Peters, W. A.; Schiller, A.; Smith, J. K.; Snyder, J.; Strongman, M. J.; Thoennessen, M.; Volya, A.
2012-03-01
We report on the first observation of dineutron emission in the decay of Be16. A single-proton knockout reaction from a 53MeV/u B17 beam was used to populate the ground state of Be16. Be16 is bound with respect to the emission of one neutron and unbound to two-neutron emission. The dineutron character of the decay is evidenced by a small emission angle between the two neutrons. The two-neutron separation energy of Be16 was measured to be 1.35(10) MeV, in good agreement with shell model calculations, using standard interactions for this mass region.
Ground state of a confined Yukawa plasma including correlation effects
Henning, C; Filinov, A; Piel, A; Bonitz, M
2007-01-01
The ground state of an externally confined one-component Yukawa plasma is derived analytically using the local density approximation (LDA). In particular, the radial density profile is computed. The results are compared with the recently obtained mean-field (MF) density profile \\cite{henning.pre06}. While the MF results are more accurate for weak screening, LDA with correlations included yields the proper description for large screening. By comparison with first-principle simulations for three-dimensional spherical Yukawa crystals we demonstrate that both approximations complement each other. Together they accurately describe the density profile in the full range of screening parameters.
Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.
Constantinides, Christos P; Zissimou, Georgia A; Berezin, Andrey A; Ioannou, Theodosia A; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C; Koutentis, Panayiotis A
2015-08-21
Tetraphenylhexaazaanthracene, TPHA-1, is a fluorescent zwitterionic biscyanine with a closed-shell singlet ground state. TPHA-1 overcomes its weak 16π antiaromaticity by partitioning its π system into 6π positive and 10π negative cyanines. The synthesis of TPHA-1 is low yielding and accompanied by two analogous TPHA isomers: the deep red, non-charge-separated, quinoidal TPHA-2, and the deep green TPHA-3 that partitions into two equal but oppositely charged 8π cyanines. The three TPHA isomers are compared.
Ground state hyperfine splitting of high Z hydrogenlike ions
Shabaev, V M; Kühl, T; Artemiev, A N; Yerokhin, V A
1997-01-01
The ground state hyperfine splitting values of high Z hydrogenlike ions are calculated. The relativistic, nuclear and QED corrections are taken into account. The nuclear magnetization distribution correction (the Bohr-Weisskopf effect) is evaluated within the single particle model with the g_{S}-factor chosen to yield the observed nuclear moment. An additional contribution caused by the nuclear spin-orbit interaction is included in the calculation of the Bohr-Weisskopf effect. It is found that the theoretical value of the wavelength of the transition between the hyperfine splitting components in ^{165}Ho^{66+} is in good agreement with experiment.
Photoabsorption by ground-state alkali-metal atoms.
Weisheit, J. C.
1972-01-01
Principal-series oscillator strengths and ground-state photoionization cross sections are computed for sodium, potassium, rubidium, and cesium. The degree of polarization of the photoelectrons is also predicted for each atom. The core-polarization correction to the dipole transition moment is included in all of the calculations, and the spin-orbit perturbation of valence-p-electron orbitals is included in the calculations of the Rb and Cs oscillator strengths and of all the photoionization cross sections. The results are compared with recent measurements.
Ground- and excited-state impurity bands in quantum wells
Ghazali, A.; Gold, A.; Serre, J.
1989-02-01
The density of states and the spectral density of electrons in quantum wells with charged impurities are calculated with use of a multiple-scattering method. The impurity-density-dependent broadening and the gradual merging of the ground (1s) and excited (2p+/-,2s) impurity levels into impurity bands are investigated. At low density the shapes of the 1s, 2p+/-, and 2s spectral densities are found to be in excellent agreement with the analytical results obtained for the ideal two-dimensional Coulomb problem.
Wang, Qiang; Tan, Liying; Ma, Jing; Yu, Siyuan; Jiang, Yijun
2012-01-16
Satellite platform vibration causes the misalignment between incident direction of the beacon and optical axis of the satellite optical communication system, which also leads to the instability of the laser link and reduces the precision of the system. So how to simulate the satellite platform vibration is a very important work in the ground test of satellite optical communication systems. In general, a vibration device is used for simulating the satellite platform vibration, but the simulation effect is not ideal because of the limited randomness. An approach is reasonable, which uses a natural random process for simulating the satellite platform vibration. In this paper, we discuss feasibility of the concept that the effect of angle of arrival fluctuation is taken as an effective simulation of satellite platform vibration in the ground test of the satellite optical communication system. Spectrum characteristic of satellite platform vibration is introduced, referring to the model used by the European Space Agency (ESA) in the SILEX program and that given by National Aeronautics and Space Development Agency (NASDA) of Japan. Spectrum characteristic of angle of arrival fluctuation is analyzed based on the measured data from an 11.16km bi-directional free space laser transmission experiment. Spectrum characteristic of these two effects is compared. The results show that spectra of these two effects have similar variation trend with the variation of frequency and feasibility of the concept is proved by the comparison results. At last the procedure of this method is proposed, which uses the power spectra of angle of arrival fluctuation to simulate that of the satellite platform vibration. The new approach is good for the ground test of satellite optical communication systems.
Universal crossover from ground-state to excited-state quantum criticality
Kang, Byungmin; Potter, Andrew C.; Vasseur, Romain
2017-01-01
We study the nonequilibrium properties of a nonergodic random quantum chain in which highly excited eigenstates exhibit critical properties usually associated with quantum critical ground states. The ground state and excited states of this system belong to different universality classes, characterized by infinite-randomness quantum critical behavior. Using strong-disorder renormalization group techniques, we show that the crossover between the zero and finite energy density regimes is universal. We analytically derive a flow equation describing the unitary dynamics of this isolated system at finite energy density from which we obtain universal scaling functions along the crossover.
Trivikram, T Madhu; Wcisło, P; Ubachs, W; Salumbides, E J
2016-01-01
Accurate $EF{}^1\\Sigma^+_g-X{}^1\\Sigma^+_g$ transition energies in molecular hydrogen were determined for transitions originating from levels with highly-excited vibrational quantum number, $v=11$, in the ground electronic state. Doppler-free two-photon spectroscopy was applied on vibrationally excited H$_2^*$, produced via the photodissociation of H$_2$S, yielding transition frequencies with accuracies of $45$ MHz or $0.0015$ cm$^{-1}$. An important improvement is the enhanced detection efficiency by resonant excitation to autoionizing $7p\\pi$ electronic Rydberg states, resulting in narrow transitions due to reduced ac-Stark effects. Using known $EF$ level energies, the level energies of $X(v=11, J=1,3-5)$ states are derived with accuracies of typically 0.002 cm$^{-1}$. These experimental values are in excellent agreement with, and are more accurate than the results obtained from the most advanced ab initio molecular theory calculations including relativistic and QED contributions.
Accurate internuclear potential energy functions for the ground electronic states of NeH+ and ArH+
Coxon, John A.; Hajigeorgiou, Photos G.
2016-12-01
All pure rotational and vibrational-rotational spectroscopic line positions available on the ground X1Σ+ electronic states of the rare gas hydride cations NeH+ and ArH+ have been employed in weighted least-squares direct fits to the potential energy functions, together with auxiliary functions describing breakdown of the Born-Oppenheimer approximation. All radial functions are represented by compact analytical models, and the spectroscopic line positions are reproduced to within the associated experimental uncertainties by the quantum-mechanical eigenvalues of the derived Hamiltonians. The potential energy functions are constrained to approach the theoretical radial behavior at long-range. Accurate vibrational term values and rotational and centrifugal distortion constants are provided for all stable isotopologues of NeH+ and ArH+ included in the least-squares fits.
Uniqueness of ground states of some coupled nonlinear Schrodinger systems and their application
MA,LI; Lin ZHAO
2007-01-01
We establish the uniqueness of ground states of some coupled nonlinear Schrodinger systems in the whole space. We firstly use Schwartz symmetrization to obtain the existence of ground states for a more general case. To prove the uniqueness of ground states, we use the radial symmetry of the ground states to transform the systems into an ordinary differential system, and then we use the integral forms of the system. More interestingly, as an application of our uniqueness results, we derive a s...
Institute of Scientific and Technical Information of China (English)
Zeng Hui; Zhao Jun
2012-01-01
In this paper,the energy,equilibrium geometry,and harmonic frequency of the ground electronic state of PO2 are computed using the B3LYP,B3P86,CCSD(T),and QCISD(T) methods in conjunction with the 6-311++G(3df,3pd) and cc-pVTZ basis sets.A comparison between the computational results and the experimental values indicates that the B3P86/6-311++G(3df,3pd) method can give better energy calculation results for the PO2 molecule.It is shown that the ground state of the PO2 molecule has C2v symmetry and its ground electronic state is X2A1.The equilibrium parameters of the structure are Rp-O =0.1465 nm,∠OPO =134.96°,and the dissociation energy is Ed =19.218 eV.The bent vibrational frequency v1 =386 cm-1,symmetric stretching frequency v2 =1095 cm-1,and asymmetric stretching frequency v3 =1333 cm-1 are obtained.On the basis of atomic and molecular reaction statics,a reasonable dissociation limit for the ground state of the PO2 molecule is determined.Then the analytic potential energy function of the PO2 molecule is derived using many-body expansion theory.The potential curves correctly reproduce the configurations and the dissociation energy for the PO2 molecule.
Charge transfer to ground-state ions produces free electrons
You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K.
2017-01-01
Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne-Kr mixed clusters.
Charge transfer to ground-state ions produces free electrons
You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K
2017-01-01
Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne–Kr mixed clusters. PMID:28134238
Eigenvectors in the superintegrable model II: ground-state sector
Energy Technology Data Exchange (ETDEWEB)
Au-Yang, Helen; Perk, Jacques H H [Department of Physics, Oklahoma State University, 145 Physical Sciences, Stillwater, OK 74078-3072 (United States)], E-mail: helenperk@yahoo.com, E-mail: perk@okstate.edu
2009-09-18
In 1993, Baxter gave 2{sup m{sub Q}} eigenvalues of the transfer matrix of the N-state superintegrable chiral Potts model with the spin-translation quantum number Q, where m{sub Q} = lfloor(NL - L - Q)/Nrfloor. In our previous paper we studied the Q = 0 ground-state sector, when the size L of the transfer matrix is chosen to be a multiple of N. It was shown that the corresponding {tau}{sub 2} matrix has a degenerate eigenspace generated by the generators of r = m{sub 0} simple sl{sub 2} algebras. These results enable us to express the transfer matrix in the subspace in terms of these generators E{sup {+-}}{sub m} and H{sub m} for m = 1, ..., r. Moreover, the corresponding 2{sup r} eigenvectors of the transfer matrix are expressed in terms of rotated eigenvectors of H{sub m}.
Quantum teleportation from light beams to vibrational states of a macroscopic diamond
Hou, P.-Y.; Huang, Y.-Y.; Yuan, X.-X.; Chang, X.-Y.; Zu, C.; He, L.; Duan, L.-M.
2016-05-01
With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Here, building on the recent remarkable progress in optical control of motional states of diamonds, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum process tomography, we demonstrate average teleportation fidelity (90.6+/-1.0)%, clearly exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for optomechanical quantum control and quantum information science.
Identification of Vibrational States in 230Th(n, f) Reaction
Institute of Scientific and Technical Information of China (English)
A.N. Behkami; Z. Kargar; M.N. Nasrabadi
2001-01-01
The excitation function for the fission of 230Th induced by neutrons has an unusual maximum for neutron energies in the vicinity of 700 KeV. It has been suggested that this maximum may be associated with the vibrational-mode resonance states. The unusual peak in the excitation function is interpreted in terms of a vibrational-mode resonance state in a two-humpted fission barrier. From theoretical fits to the fission cross sections and angular distributions, it is shown that the resonance has K ＝ 1/2.``
Ground state for CH2 and symmetry for methane decomposition
Institute of Scientific and Technical Information of China (English)
Zhang Li; Luo Wen-Lang; Ruan Wen; Jiang Gang; Zhu Zheng-He
2008-01-01
Using the different level of methods B3P86, BLYP, B3PW91, HF, QCISD, CASSCF (4,4) and MP2 with the various basis functions 6-311G**, D95, cc-pVTZ and DGDZVP, the calculations of this paper confirm that the ground state is X3B1 with C2v group for CH2. Furthermore, the three kinds of theoretical methods, I.e. B3P86, CCSD(T, MP4) and G2 with the same basis set cc-pVTZ only are used to recalculate the zero-point energy revision which are modified by scaling factor 0.989 for the high level based on the virial theorem, and also with the correction for basis set superposition error. These results are also contrary to X3Σ-g for the ground state of CH2 in reference. Based on the atomic and molecular reaction statics, this paper proves that the decomposition type (1) I.e. CH4→CH2+H2, is forbidden and the decomposition type (2) I.e. CH4→CH3+H is allowed for CH4. This is similar to the decomposition of SiH4.
Ground-state electronic structure of actinide monocarbides and mononitrides
DEFF Research Database (Denmark)
Petit, Leon; Svane, Axel; Szotek, Z.
2009-01-01
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually...... increasing degree of f electron localization from U to Cm, with the tendency toward localization being slightly stronger in the (more ionic) nitrides compared to the (more covalent) carbides. The itinerant band picture is found to be adequate for UC and acceptable for UN, while a more complex manifold...... of competing localized and delocalized f-electron configurations underlies the ground states of NpC, PuC, AmC, NpN, and PuN. The fully localized 5f-electron configuration is realized in CmC (f7), CmN (f7), and AmN (f6). The observed sudden increase in lattice parameter from PuN to AmN is found to be related...
Au42: A possible ground-state noble metallic nanotube
Wang, Jing; Ning, Hua; Ma, Qing-Min; Liu, Ying; Li, You-Cheng
2008-10-01
A large hollow tubelike Au42 is predicted as a new ground-state configuration based on the scalar relativistic density functional theory. The shape of this new Au42 cluster is similar to a (5,5) single-wall gold nanotube, the two ends of which are capped by half of a fullerenelike Au32. In the same way, a series of Aun (n =37,42,47,52,57,62,67,72,…, Δn =5) tubelike structures has been constructed. The highest occupied molecular orbital-lowest unoccupied molecular orbital gaps suggested a significant semiconductor-conductor alternation in n ɛ[32,47]. Similar to the predictions and speculation of Daedalus [D. E. H. Jones, New Sci. 32, 245 (1966); E. Osawa, Superaromaticity (Kagaku, Kyoto, 1970), Vol. 25, pp. 854-863; Z. Yoshida and E. Osawa, Aromaticity Chemical Monograph (Kagaku Dojin, Kyoto, Japan, 1971), Vol. 22, pp. 174-176; D. A. Bochvar and E. G. Gal'pern, Dokl. Akad. Nauk SSSR 209, 610 (1973)], here a large hollow ground-state gold nanotube was predicted theoretically.
On the nature of the oligoacene ground state
Hachmann, Johannes; Dorando, Jonathan; Aviles, Michael; Kin-Lic Chan, Garnet
2007-03-01
The nature of the oligoacene ground state - its spin, singlet-triplet gap, and diradical character as a function of chain-length - is a question of ongoing theoretical and experimental interest with notable technological implications. Previous computational studies have given inconclusive answers to this challenging electronic structure problem (see e.g. [1]). In the present study we exploit the capabilities of the local ab initio Density Matrix Renormalization Group (DMRG) [2], which allows the numerically exact (FCI) solution of the Schr"odinger equation in a chosen 1-particle basis and active space for quasi-one-dimensional systems. We compute the singlet-triplet gap from first principles as a function of system length ranging from naphthalene to tetradecacene, correlating the full π-space (i.e. up to 58 electrons in 58 orbitals) and converging the results to a few μEh accuracy [3]. In order to study the diradical nature of the oligoacene ground state we calculate expectation values over different diradical occupation and pair-correlation operators. Furthermore we study the natural orbitals and their occupation. [1] Bendikov, Duong, Starkey, Houk, Carter, Wudl, JACS 126 (2004), 7416. [2] Hachmann, Cardoen, Chan, JCP 125 (2006), 144101. [3] Hachmann, Dorando, Avil'es, Chan, in preparation.
Mohammed, Omar F.
2014-05-01
We combine ultrafast electronic and vibrational spectroscopy and computational modeling to investigate the photoinduced excited-state intramolecular hydrogen-transfer dynamics in 1,8-dihydroxy-9,10-anthraquinone (DHAQ) in tetrachloroethene, acetonitrile, dimethyl sulfoxide, and methanol. We analyze the electronic excited states of DHAQ with various possible hydrogen-bonding schemes and provide a general description of the electronic excited-state dynamics based on a systematic analysis of femtosecond UV/vis and UV/IR pump-probe spectroscopic data. Upon photoabsorption at 400 nm, the S 2 electronic excited state is initially populated, followed by a rapid equilibration within 150 fs through population transfer to the S 1 state where DHAQ exhibits ESIHT dynamics. In this equilibration process, the excited-state population is distributed between the 9,10-quinone (S2) and 1,10-quinone (S1) states while undergoing vibrational energy redistribution, vibrational cooling, and solvation dynamics on the 0.1-50 ps time scale. Transient UV/vis pump-probe data in methanol also suggest additional relaxation dynamics on the subnanosecond time scale, which we tentatively ascribe to hydrogen bond dynamics of DHAQ with the protic solvent, affecting the equilibrium population dynamics within the S2 and S1 electronic excited states. Ultimately, the two excited singlet states decay with a solvent-dependent time constant ranging from 139 to 210 ps. The concomitant electronic ground-state recovery is, however, only partial because a large fraction of the population relaxes to the first triplet state. From the similarity of the time scales involved, we conjecture that the solvent plays a crucial role in breaking the intramolecular hydrogen bond of DHAQ during the S2/S1 relaxation to either the ground or triplet state. © 2014 American Chemical Society.
Energy Technology Data Exchange (ETDEWEB)
Sheu, Hong-Li; Boopalachandran, Praveenkumar [Department of Chemistry, Texas A& M University, College Station, TX 77843-3255 (United States); Kim, Sunghwan [National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894 (United States); Laane, Jaan, E-mail: laane@chem.tamu.edu [Department of Chemistry, Texas A& M University, College Station, TX 77843-3255 (United States)
2015-07-29
Highlights: • The structures of 2,3,5,6-tetrafluoropyridine for its S{sub 0} and S{sub 1}(π, π{sup ∗}) states have been calculated. • TFPy is rigidly planar in its ground electronic state, but is quasi-planar and floppy in S{sub 1}. • The barrier to planarity is 30 cm{sup −1} in the excited state. • The observed vibrational frequencies for both states agree well with the computations. • A ring-bending potential energy function for the S{sub 1}(π, π{sup ∗}) state was proposed. - Abstract: Infrared and Raman spectra of 2,3,5,6-tetrafluoropyridine (TFPy) were recorded and vibrational frequencies were assigned for its S{sub 0} electronic ground states. Ab initio and density functional theory (DFT) calculations were used to complement the experimental work. The lowest electronic excited state of this molecule was investigated with ultraviolet absorption spectroscopy and theoretical CASSCF calculations. The band origin was found to be at 35,704.6 cm{sup −1} in the ultraviolet absorption spectrum. A slightly puckered structure with a barrier to planarity of 30 cm{sup −1} was predicted by CASSCF calculations for the S{sub 1}(π, π{sup ∗}) state. Lower frequencies for the out-of-plane ring bending vibrations for the electronic excited state result from the weaker π bonding within the pyridine ring.
Łodyga, Wiesław; Makarewicz, Jan
2012-05-01
Geometries, anharmonic vibrations, and torsion-wagging (TW) multiplets of hydrazine and its deuterated species are studied using high-level ab initio methods employing the second-order Møller-Plesset perturbation theory (MP2) as well as the coupled cluster singles and doubles model including connected triple corrections, CCSD(T), in conjunction with extended basis sets containing diffuse and core functions. To describe the splitting patterns caused by tunneling in TW states, the 3D potential energy surface (PES) for the large-amplitude TW modes is constructed. Stationary points in the 3D PES, including equivalent local minima and saddle points are characterized. Using this 3D PES, a flexible Hamiltonian is built numerically and then employed to solve the vibrational problem for TW coupled motion. The calculated ground state rav structure is expected to be more reliable than the experimental one that has been determined using a simplified structural model. The calculated fundamental frequencies allowed resolution of the assignment problems discussed earlier in the literature. The determined energy barriers, including the contributions from the small-amplitude vibrations, to the tunneling of the symmetric and antisymmetric wagging mode of 1997 cm-1 and 3454 cm-1, respectively, are in reasonable agreement with the empirical estimates of 2072 cm-1 and 3312 cm-1, respectively [W. Łodyga et al. J. Mol. Spectrosc. 183, 374 (1997), 10.1006/jmsp.1997.7271]. However, the empirical torsion barrier of 934 cm-1 appears to be overestimated. The ab initio calculations yield two torsion barriers: cis and trans of 744 cm-1 and 2706 cm-1, respectively. The multiplets of the excited torsion states are predicted from the refined 3D PES.
Andrianarijaona, V. M.; King, J. G.; Martin, M. F.; de Ruette, N.; Urbain, X.
2013-05-01
We investigated the charge transfer (CT) from an H2 or D2 target to various fast atomic/molecular ions for a wide span of collision energies in the laboratory frame (eV to keV). Vibrationally resolved cross sections have been obtained on a relative scale, by dissociative charge transfer of the product H2+ ions with potassium atoms, and 3-D imaging of the fragments. An absolute value of the total CT cross section has been inferred from the measured ratio of the CT yield for protons and H2+, combined with the recommended H2+ + H2 cross section (ORNL). Our results on the (H2, H+) system benchmark state-to-state calculations at 10eV and above (Phys. Rev. A 75 032703, 2007 and J. Phys. B 42, 105207 2009). In particular, they confirm the vibrational excitation mechanism responsible for the resonance at 50eV, characterized by a dominant population of the ground vibrational state of H2++. The spectra for the isotopic system (D2, H+) will be also presented along with the results of CT performed with H2++ and D2+ projectiles. Research supported by the Fund for Scientific Research - FNRS through IISN Grant No. 4.4504.10, and the National Science Foundation through Grant No. PHY-106887.
Investigation of octupole vibrational states in 150Nd via inelastic proton scattering (p,p'g)
Elvers, M; Ahmed, T; Ahn, T; Anagnostatou, V; Cooper, N; Deng, C; Endres, J; Goddard, P; Heinz, A; Ilie, G; Jiang, E; Kueppersbusch, C; Radeck, D; Savran, D; Shenkov, N; Werner, V; Zilges, A
2011-01-01
Octupole vibrational states were studied in the nucleus $^{150}\\mathrm{Nd}$ via inelastic proton scattering with $\\unit[10.9]{MeV}$ protons which are an excellent probe to excite natural parity states. For the first time in $^{150}\\mathrm{Nd}$, both the scattered protons and the $\\gamma$ rays were detected in coincidence giving the possibility to measure branching ratios in detail. Using the coincidence technique, the $B(E1)$ ratios of the decaying transitions for 10 octupole vibrational states and other negative-parity states to the yrast band were determined and compared to the Alaga rule. The positive and negative-parity states revealed by this experiment are compared with Interacting Boson Approximation (IBA) calculations performed in the (spdf) boson space. The calculations are found to be in good agreement with the experimental data, both for positive and negative-parity states.
Directory of Open Access Journals (Sweden)
C. Oktay Azeloglu
2015-01-01
Full Text Available This paper studies the design of a linear matrix inequality (LMI based mixed H2/H∞ state-feedback controller for vibration attenuation problem of seismic-excited container cranes. In order to show effectiveness of the designed controller, a six-degree-of-freedom container crane structural system is modeled using a spring-mass-damper subsystem. The system is then simulated against the real ground motion of El Centro and Northridge earthquakes. Finally, the time history of the crane parts displacements, accelerations, control forces, and frequency responses of both uncontrolled and controlled cases are presented. Additionally, the performance of the designed controller is also compared with a nominal state-feedback H∞ controller performance. Simulations of the designed controller show better seismic performance than a nominal state-feedback H∞ controller. Simulation results show that the designed controller is all effective in reducing vibration amplitudes of crane parts.
Highly localized clustering states in a granular gas driven by a vibrating wall
Livne, Eli; Meerson, Baruch; Sasorov, Pavel V.
2000-01-01
An ensemble of inelastically colliding grains driven by a vibrating wall in 2D exhibits density clustering. Working in the limit of nearly elastic collisions and employing granular hydrodynamics, we predict, by a marginal stability analysis, a spontaneous symmetry breaking of the extended clustering state (ECS). 2D steady-state solutions found numerically describe localized clustering state (LCSs). Time-dependent granular hydrodynamic simulations show that LCSs can develop from natural initia...
The repopulation of electronic states upon vibrational excitation of niobium carbide clusters
Chernyy, V.; Logemann, R.; Bakker, J. M.; Kirilyuk, A.
2016-07-01
We study the infrared (IR) resonant heating of neutral niobium carbide clusters probed through ultraviolet photoionization spectroscopy. The IR excitation not only changes the photoionization spectra for the photon energies above the ionization threshold, but also modulates ion yield for energies significantly below it. An attempt to describe the experimental spectra using either Fowler's theory or thermally populated vibrational states was not successful. However, the data can be fully modeled by vibrationally and rotationally broadened discrete electronic levels obtained from Density Functional Theory (DFT) calculations. The application of this method to spectra with different IR pulse energies not only yields information about the excited electronic states in the vicinity of the HOMO level, populated by manipulation of the vibrational coordinates of a cluster, but also can serve as an extra indicator for the cluster isomeric structure and corresponding DFT-calculated electronic levels.
The repopulation of electronic states upon vibrational excitation of niobium carbide clusters.
Chernyy, V; Logemann, R; Bakker, J M; Kirilyuk, A
2016-07-14
We study the infrared (IR) resonant heating of neutral niobium carbide clusters probed through ultraviolet photoionization spectroscopy. The IR excitation not only changes the photoionization spectra for the photon energies above the ionization threshold, but also modulates ion yield for energies significantly below it. An attempt to describe the experimental spectra using either Fowler's theory or thermally populated vibrational states was not successful. However, the data can be fully modeled by vibrationally and rotationally broadened discrete electronic levels obtained from Density Functional Theory (DFT) calculations. The application of this method to spectra with different IR pulse energies not only yields information about the excited electronic states in the vicinity of the HOMO level, populated by manipulation of the vibrational coordinates of a cluster, but also can serve as an extra indicator for the cluster isomeric structure and corresponding DFT-calculated electronic levels.
Directory of Open Access Journals (Sweden)
C. Abancó
2013-08-01
Full Text Available The use of ground vibration sensors for debris-flow monitoring has increased in the last two decades. However, the correct interpretation of the seismic signals produced by debris flows still presents many uncertainties. In the Rebaixader monitoring site (Central Pyrenees, Spain two different ground vibration stations with different characteristics in terms of recording systems and site-specific factors have been compared. The shape of the time series has been recognised as one of the key parameters to identify events and to distinguish between different types of torrential processes. The results show that the site-specific factors strongly influence on the ground vibration registered at each geophone. The attenuation of the signal with the distance has been identified as linear to exponential. In addition, the assembly of the geophones to the terrain also has an important effect on the amplification of the signal. All these results highlight that the definition of ground vibration thresholds for debris-flow detection or warning purposes is a difficult task which is clearly influenced by site-specific conditions of the geophones.
Ultimate Strength of Fixed Offshore Platforms Subjected to Near-Fault Earthquake Ground Vibration
Hesam Sharifian; Khosro Bargi; Mohamad Zarrin
2015-01-01
The pile foundation nonlinearity and its influence on the ultimate capacity of fixed platforms have not comprehensively been covered by previous researchers. In this study, the seismic behavior and capacity of a newly designed and installed Jacket Type Offshore Platform (JTOP) located in the Persian Gulf is investigated by conducting Incremental Dynamic Analysis (IDA) using a suit of near-fault ground motions. Additionally, two modified models of the original platform are created by slightly ...
Bettens, Ryan P A
2003-01-15
Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.
Energy Technology Data Exchange (ETDEWEB)
Koner, Debasish; Panda, Aditya N., E-mail: adi07@iitg.ernet.in [Department of Chemistry, Indian Institute of Technology Guwahati, Guwahati 781039 (India); Barrios, Lizandra; González-Lezana, Tomás, E-mail: t.gonzalez.lezana@csic.es [Instituto de Física Fundamental, C.S.I.C., Serrano 123, Madrid 28006 (Spain)
2014-09-21
A real wave packet based time-dependent method and a statistical quantum method have been used to study the He + NeH{sup +} (v, j) reaction with the reactant in various ro-vibrational states, on a recently calculated ab initio ground state potential energy surface. Both the wave packet and statistical quantum calculations were carried out within the centrifugal sudden approximation as well as using the exact Hamiltonian. Quantum reaction probabilities exhibit dense oscillatory pattern for smaller total angular momentum values, which is a signature of resonances in a complex forming mechanism for the title reaction. Significant differences, found between exact and approximate quantum reaction cross sections, highlight the importance of inclusion of Coriolis coupling in the calculations. Statistical results are in fairly good agreement with the exact quantum results, for ground ro-vibrational states of the reactant. Vibrational excitation greatly enhances the reaction cross sections, whereas rotational excitation has relatively small effect on the reaction. The nature of the reaction cross section curves is dependent on the initial vibrational state of the reactant and is typical of a late barrier type potential energy profile.
Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy
Energy Technology Data Exchange (ETDEWEB)
Leon, H., E-mail: hleon@imre.oc.uh.cu [Instituto de Ciencia y Tecnologia de Materiales, Universidad de La Habana, Zapata e/ Mazon y G. Vedado, 10400 La Habana (Cuba)
2013-02-15
The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112{sup Macron }] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: Black-Right-Pointing-Pointer Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. Black-Right-Pointing-Pointer Numerical results are presented for distorted fcc [001] structures. Black-Right-Pointing-Pointer The lowest energy of a system depends on how the tetragonal distortion is achieved. Black-Right-Pointing-Pointer A striped phase with magnetization in the [112{sup Macron }] direction is the
Institute of Scientific and Technical Information of China (English)
杨忠志; 李慎敏; 唐敖庆
1995-01-01
By using the quasiclassical trajectory method,changes of normal and local mode vibrationalexcitation energies with time are investigated for XH4 （X=C,Si,Ge） molecules.The results demonstrate thatin a CH4 molecule the coupling between C—H stretching vibration and H—C—H bending vibration is relative-ly large so that the energy transfer is fast;while in SiH4 or GeH4 molecules this coupling is relativelysmall and thus an obvious energy relaxation is observed.This implies that there exists approximate local modevibrations for certain vibrational excitation states.
Energy Technology Data Exchange (ETDEWEB)
Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)
2015-12-28
We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.
Probing Crystallinity of Graphene Samples via the Vibrational Density of States
Jain, Sandeep K.; Juricic, Vladimir; Barkema, Gerard T.
2015-01-01
The purity of graphene samples is of crucial importance for their experimental and practical use. In this regard, the detection of the defects is of direct relevance. Here, we show that structural defects in graphene samples give rise to clear signals in the vibrational density of states (VDOS) at
Vibrational-state-selected ion--molecule reaction cross sections at thermal energies
Pijkeren, D. van; Boltjes, E.; Eck, J. van; Niehaus, A.
1984-01-01
A method designed to measure relative ion—molecule reaction rates at thermal collision energies for selected reactant ion vibrational states is described. Relative reaction rates are determined for the three endothermic reactions: H2+ (υ)(He,H)HeH+, H2+ (υ)(Ne,H)NeH+, D2+(υ)(Ne, D)NeD+, and for the
LABS problem and ground state spin glasses system
Leukhin, A. N.; Bezrodnyi, V. I.; Kozlova, Yu. A.
2016-12-01
In our work we demonstrate the new results of an exhaustive search for optimal binary sequences with minimum peak sidelobe (MPS) up to length N=85. The design problem for law autocorrelation binary sequences (LABS) is a notoriously difficult computational problem which is numbered as the problem number 005 in CSPLib. In statistical physics LABS problem can be interrepted as the energy of N iteracting Ising spins. This is a Bernasconi model. Due to this connection to physics we refer a binary sequence as one-dimensional spin lattice. At this assumption optimal binary sequences by merit factor (MF) criteria are the ground-state spin system without disorder which exhibits a glassy regime.
Ground state structures and properties of small hydrogenated silicon clusters
Indian Academy of Sciences (India)
R Prasad
2003-01-01
We present results for ground state structures and properties of small hydrogenated silicon clusters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two silicon atoms. We find that in the case of a compact and closed silicon cluster hydrogen bonds to the silicon cluster from outside. To understand the structural evolutions and properties of silicon cluster due to hydrogenation, we have studied the cohesive energy and first excited electronic level gap of clusters as a function of hydrogenation. We find that first excited electronic level gap of Si and SiH fluctuates as function of size and this may provide a first principle basis for the short-range potential fluctuations in hydrogenated amorphous silicon. The stability of hydrogenated silicon clusters is also discussed.
Ground-state correlations within a nonperturbative approach
De Gregorio, G.; Herko, J.; Knapp, F.; Lo Iudice, N.; Veselý, P.
2017-02-01
The contribution of the two-phonon configurations to the ground state of 4He and 16O is evaluated nonperturbatively using a Hartree-Fock basis within an equation-of-motion phonon method using a nucleon-nucleon optimized chiral potential. Convergence properties of energies and root-mean-square radii versus the harmonic oscillator frequency and space dimensions are investigated. The comparison with the second-order perturbation theory calculations shows that the higher-order terms have an appreciable repulsive effect and yield too-small binding energies and nuclear radii. It is argued that four-phonon configurations, through their strong coupling to two phonons, may provide most of the attractive contribution necessary for filling the gap between theoretical and experimental quantities. Possible strategies for accomplishing such a challenging task are discussed.
Potential Energy Surfaces of Nitrogen Dioxide for the Ground State
Institute of Scientific and Technical Information of China (English)
SHAO Ju-Xiang; ZHU Zheng-He; CHENG Xin-Lu; YANG Xiang-Dong
2007-01-01
The potential energy function of nitrogen dioxide with the C2v symmetry in the ground state is represented using the simplified Sorbie-Murrell many-body expansion function in terms of the symmetry of NO2. Using the potential energy function, some potential energy surfaces of NO2(C2v, X2A1), such as the bond stretching contour plot for a fixed equilibrium geometry angle θ and contour for O moving around N-O (R1), in which R1 is fixed at the equilibrium bond length, are depicted. The potential energy surfaces are analysed. Moreover, the equilibrium parameters for NO2 with the C2v, Cs and D8h symmetries, such as equilibrium geometry structures and energies, are calculated by the ab initio (CBS-Q) method.
Sympathetic cooling of molecular ion motion to the ground state
Rugango, Rene; Dixon, Thomas H; Gray, John M; Khanyile, Ncamiso; Shu, Gang; Clark, Robert J; Brown, Kenneth R
2014-01-01
We demonstrate sympathetic sideband cooling of a $^{40}$CaH$^{+}$ molecular ion co-trapped with a $^{40}$Ca$^{+}$ atomic ion in a linear Paul trap. Both axial modes of the two-ion chain are simultaneously cooled to near the ground state of motion. The center of mass mode is cooled to an average quanta of harmonic motion $\\overline{n}_{\\mathrm{COM}} = 0.13 \\pm 0.03$, corresponding to a temperature of $12.47 \\pm 0.03 ~\\mu$K. The breathing mode is cooled to $\\overline{n}_{\\mathrm{BM}} = 0.05 \\pm 0.02$, corresponding to a temperature of $15.36 \\pm 0.01~\\mu$K.
Ground-state properties of neutron magic nuclei
Energy Technology Data Exchange (ETDEWEB)
Saxena, G., E-mail: gauravphy@gmail.com [Govt. Women Engineering College, Department of Physics (India); Kaushik, M. [Shankara Institute of Technology, Department of Physics (India)
2017-03-15
A systematic study of the ground-state properties of the entire chains of even–even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82, and 126 has been carried out using relativistic mean-field plus Bardeen–Cooper–Schrieffer approach. Our present investigation includes deformation, binding energy, two-proton separation energy, single-particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using nonrelativistic approach (Skyrme–Hartree–Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip-lines, the (Z, N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.
Institute of Scientific and Technical Information of China (English)
Gao Feng; Yang Chuan-Lu; Hu Zhen-Yan; Wang Mei-Shan
2007-01-01
The potential energy curves (PECs) of the ground state (3Π) and three low-lying excited states (1∑, 3∑,1Π) of CdSe dimer have been studied by emploging quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel-Sorbie potential function. Based on the PECs,the vibrational levels of the four states are determined by solving the Schr(o)dinger equation of nuclear motion, and corresponding spectroscopic contants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the 3Π state, of which the dissociation asymptote is Cd(1S) + Se(3p), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39eV. However, the first excited state is only 1132.49cm-1 above the ground state and the 3∑ state is the highest in the four calculated states.
State-space approach to vibration of gold nano-beam induced by ramp type heating
Institute of Scientific and Technical Information of China (English)
Hamdy M Youssef; Khaled A Elsibai
2010-01-01
In the nanoscale beam, two effects become domineering. One is the non-Fourier effect in heat conduction and the other is the coupling effect between temperature and strain rate. In the present study, a generalized solution for the generalized thermoelastic vibration of gold nano-beam resonator induced by ramp type heating is developed. The solution takes into account the above two effects. State-space and Laplace transform methods are used to determine the lateral vibration, the temperature, the displacement, the stress and the strain energy of the beam. The effects of the relaxation time and the ramping time parameters have been studied.
Ground States and Excited States in a Tunable Graphene Quantum Dot
Institute of Scientific and Technical Information of China (English)
WANG Lin-Jun; CAO Gang; TU Tao; LI Hai-Ou; ZHOU Cheng; HAO Xiao-Jie; GUO Guang-Can; GUO Guo-Ping
2011-01-01
We prepare an etched gate tunable quantum dot in single-layer graphene and present transport measurement in this system. We extract the information of the ground states and excited states of the graphene quantum dot, as denoted by the presence of characteristic Coulomb blockade diamond diagrams. The results demonstrate that the quantum dot in single-layer graphene bodes well in future quantum transport study and quantum computing applications.%@@ We prepare an etched gate tunable quantum dot in single-layer graphene and present transport measurement in this system.We extract the information of the ground states and excited states of the graphene quantum dot, as denoted by the presence of characteristic Coulomb blockade diamond diagrams.The results demonstrate that the quantum dot in single-layer graphene bodes well in future quantum transport study and quantum computing applications.
Energy Technology Data Exchange (ETDEWEB)
Knopp, G.; Beaud, P.; Radi, P.; Tulej, M.; Gerber, T.
2004-03-01
The molecular dynamics in the electronic ground state of C{sub 2}H{sub 2} and of H{sub 2}CO have been interrogated by the femto second CARS method. For a discussion of collision induced rotational and vibrational energy transfer in the electronic ground state of the polyatomic acetylene (C{sub 2H}2) molecule the transient signals were evaluated with the recently developed angular momentum and energy corrected scaling law. (author)
DEFF Research Database (Denmark)
Reynisson, J.; Wilbrandt, R.; Brinck, V.
2002-01-01
of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...
Institute of Scientific and Technical Information of China (English)
李杏利; 李宗; 马思渝
1999-01-01
The photolysis of acetone has been studied at 6-311G basis set using unrestricted Hartree-Fock method. The results show that ground state acetone （S0） cannot easily dissociate. The electrons of acetone undergo n→Ⅱ transition in laser, and excited acetone （T1） can easily dissociate: and acetyl can further undergo thermolytic dissociation: CH3CO→CH3+CO（R2）. The dynamic information (ωK, BKF, V0（S）) of reaction R2 is obtained and the vibrational state distributions of product CO are calculated. The calculated value consists with the experimental value.
Vibration mechanisms of spur gear pair in healthy and fault states
Li, Yongzhuo; Ding, Kang; He, Guolin; Lin, Huibin
2016-12-01
The vibration frequency components of gear system are complicated and changeful, some of those are even hard to explain. Based on the dynamic equations of a single-stage gear pair and some reasonable simplifications, frequency responses of the gear pair in healthy state and those suffering from different faults are analyzed, respectively. The excitation sources of vibration frequency components such as rotational frequency harmonics, mesh frequency harmonics, modulation sidebands and resonance frequency bands are investigated accordingly. The causes of the asymmetrical modulation sidebands around the mesh frequency harmonics, which are commonly appeared in the vibration spectrum of gear system, are explained. The effectiveness of the theoretical deductions is confirmed by dynamic simulations and experimental results.
Svinkin, Mark R.
2016-12-01
The authors suggested a hybrid method for modeling the time history of structural vibrations triggered by impact dynamic loads from construction equipment and blasting, and they stated, "In this work, a hybrid method has been proposed to calculate the theoretical seismograms of structural vibrations. The word "hybrid" denotes a combination of field measurements and computer simulations. Then, based on nonlinear system theory, a novel method is proposed to predict the signal induced by impact loading".
Gamiz-Hernandez, Ana P; Magomedov, Artiom; Hummer, Gerhard; Kaila, Ville R I
2015-02-12
Proton-coupled electron transfer (PCET) processes are elementary chemical reactions involved in a broad range of radical and redox reactions. Elucidating fundamental PCET reaction mechanisms are thus of central importance for chemical and biochemical research. Here we use quantum chemical density functional theory (DFT), time-dependent density functional theory (TDDFT), and the algebraic diagrammatic-construction through second-order (ADC(2)) to study the mechanism, thermodynamic driving force effects, and reaction barriers of both ground state proton transfer (pT) and photoinduced proton-coupled electron transfer (PCET) between nitrosylated phenyl-phenol compounds and hydrogen-bonded t-butylamine as an external base. We show that the obtained reaction barriers for the ground state pT reactions depend linearly on the thermodynamic driving force, with a Brønsted slope of 1 or 0. Photoexcitation leads to a PCET reaction, for which we find that the excited state reaction barrier depends on the thermodynamic driving force with a Brønsted slope of 1/2. To support the mechanistic picture arising from the static potential energy surfaces, we perform additional molecular dynamics simulations on the excited state energy surface, in which we observe a spontaneous PCET between the donor and the acceptor groups. Our findings suggest that a Brønsted analysis may distinguish the ground state pT and excited state PCET processes.
The Microwave Spectroscopy of Aminoacetonitrile in the Vibrational Excited States 2
Fujita, Chiho; Higurashi, Haruka; Ozeki, Hiroyuki; Kobayashi, Kaori
2016-06-01
Aminoacetonitrile (NH_2CH_2CN) is a potential precursor of the simplest amino acid, glycine in the interstellar space and was detected toward SgrB2(N). We have extended measurements up to 1.3 THz so that the strongest transitions that may be found in the terahertz region should be covered. Aminoacetonitrile has a few low-lying vibrational excited states and indeed the pure rotational transitions in these vibrational excited states were found. The pure rotational transitions in six vibrational excited states in the 80-180 GHz range have been assigned and centrifugal distortion constants up to the sextic terms were determined. Based on spectral intensities and the vibrational information from Bak et al., They were assigned to the 3 low-lying fundamentals, 1 overtone and 2 combination bands. In the submillimeter wavelength region, perturbations were recognized and some of the lines were off by more than a few MHz. At this moment, these perturbed transitions are not included in our analysis. A. Belloche, K. M. Menten, C. Comito, H. S. P. Müller, P. Schilke, J. Ott, S. Thorwirth, and C. Hieret, 2008, Astronom. & Astrophys. 482, 179 (2008). Y. Motoki, Y. Tsunoda, H. Ozeki, and K. Kobayashi, Astrophys. J. Suppl. Ser. 209, 23 (2013). B. Bak, E. L. Hansen, F. M. Nicolaisen, and O. F. Nielsen, Can. J. Phys. 53, 2183 (1975) C. Fujita, H. Ozeki, and K. Kobayashi, 70th International Symposium on Molecular Spectroscopy (2015), MH14.
Nonlinear Steady-State Vibration Analysis of a Beam with Breathing Cracks
Kamiya, Keisuke; Yoshinaga, Terumitsu
This paper presents a method for analysis of steady-state vibration of a beam with breathing cracks, which open and close during vibration. There are several papers treating problems of vibration analysis of a beam with breathing cracks. However, due to their treatments of the condition which determines the switch between the open and closed states of the crack, it is difficult for one to obtain steady-state vibration efficiently by methods such as the incremental harmonic balance method. Since opening and closing of a breathing crack depends on the sign of the bending moment, or the curvature, of the beam, the key point to this problem is explicit treatment of the bending moment. The mixed variational principle allows one to use deflection as well as bending moment as primary variables in the governing equation. In this paper a governing equation of a beam with breathing cracks is derived by a finite element procedure based on the mixed variational principle. Then, the derived governing equations are solved by combining the iteration method and the harmonic balance method. Finally, examples of analysis by the presented method are given.
Energy Technology Data Exchange (ETDEWEB)
Inazaki, T. [Public Works Research Institute, Tsukuba (Japan)
1997-05-27
With an objective to measure a behavior of the surface ground during a strong earthquake directly on the actual ground and make evaluation thereon, a proposal was made on an original location measuring and analyzing method using an S-wave vibrator and seismic cones. This system consists of an S-wave vibrator and a static cone penetrating machine, and different types of measuring cones. A large number of measuring cones are inserted initially in the object bed of the ground, and variation in the vibration generated by the vibrator is measured. This method can derive decrease in rigidity rate of the actual ground according to dynamic strain levels, or in other words, the dynamic nonlinearity. The strain levels can be controlled with a range from 10 {sup -5} to 10 {sup -3} by varying the distance from the S-wave vibrator. Furthermore, the decrease in the rigidity rate can be derived by measuring variations in the S-wave velocity by using the plank hammering method during the vibration. Field measurement is as easy as it can be completed in about half a day including preparatory works, and the data analysis is also simple. The method is superior in mobility and workability. 9 figs.
Structures of Annulenes and Model Annulene Systems in the Ground and Lowest Excited States
Directory of Open Access Journals (Sweden)
Pier Remigio Salvi
2010-11-01
Full Text Available The paper introduces general considerations on structural properties of aromatic, antiaromatic and non-aromatic conjugated systems in terms of potential energy along bond length alternation and distortion coordinates, taking as examples benzene, cyclobutadiene and cyclooctatetraene. Pentalene, formally derived from cyclooctatetraene by cross linking, is also considered as a typical antiaromatic system. The main interest is concerned with [n]annulenes and model [n]annulene molecular systems, n ranging from 10 to 18. The rich variety of conformational and configurational isomers and of dynamical processes among them is described. Specific attention is devoted to bridged [10]- and [14]annulenes in the ground and lowest excited states as well as to s-indacene and biphenylene. Experimental data obtained from vibrational and electronic spectroscopies are discussed and compared with ab initio calculation results. Finally, porphyrin, tetraoxaporphyrin dication and diprotonated porphyrin are presented as annulene structures adopting planar/non-planar geometries depending on the steric hindrance in the inner macrocycle ring. Radiative and non-radiative relaxation processes from excited state levels have been observed by means of time-resolved fluorescence and femtosecond transient absorption spectroscopy. A short account is also given of porphycene, the structural isomer of porphyrin, and of porphycene properties.
Sheu, Hong-Li; Kim, Sunghwan; Laane, Jaan
2014-01-01
The infrared and Raman spectra of 2,6-difluoropyridine (26DFPy) along with ab initio and DFT computations have been used to assign the vibrations of the molecule in its S0 electronic ground state and to calculate its structure. The ultraviolet absorption spectrum showed the electronic transition to the S1(π,π*) state to be at 37,820.2 cm−1. With the aid of ab initio computations the vibrational frequencies for this excited state were also determined. TD-B3LYP and CASSCF computations for the excited states were carried out to calculate the structures for the S1(π,π*) and S2(n,π*) excited states. The CASSCF results predict that the S1(π,π*) state is planar and the S2(n,π*) state has a barrier to planarity of 256 cm−1. The TD-B3LYP computations predict a barrier of 124 cm−1 for the S1(π,π*) states, but the experimental results support the planar structure. Hypothetical models for the ring-puckering potential energy function were calculated for both electronic excited states to show the predicted quantum states. The changes in the vibrational frequencies in the two excited states reflect the weaker π bonding within the pyridine ring. PMID:24070189
State estimators for tracking sharply-maneuvering ground targets
Visina, Radu S.; Bar-Shalom, Yaakov; Willett, Peter
2017-05-01
This paper presents an algorithm, based on the Interacting Multiple Model Estimator, that can be used to track the state of kinematic point targets, moving in two dimensions, that are capable of making sharp heading maneuvers over short periods of time, such as certain ground vehicles moving in an open field. The targets are capable of up to 60 °/s turn rates, while polar measurements are received at 1 Hz. We introduce the Non-Zero Mean, White Noise Turn-Rate IMM (IMM-WNTR) that consists of 3 modes based on a White Noise Turn Rate (WNTR) kinematic model that contains additive, white, Gaussian turn rate process noises. Two of the modes are considered maneuvering modes, and they have opposite (left/right), non-zero mean turn rate input noise. The need for non-zero mean turn rate process noise is explained, and Monte Carlo simulations compare this novel design to the traditional (single-mode) White Noise Acceleration Kalman Filter (WNA KF) and the two-mode White Noise Acceleration/Nearly-Coordinated Turn Rate IMM (IMM-CT). Results show that the IMM-WNTR filter achieves better accuracy and real-time consistency between expected error and actual error as compared to the (single-mode) WNA KF and the IMM-CT in all simulated scenarios, making it a very accurate state estimator for targets with sharp coordinated turn capability in 2D.
Zero-Point Fluctuations in the Nuclear Born-Oppenheimer Ground State
Zettili, Nouredine
The small-amplitude oscillations of rigid nuclei around the equilibrium state are described by means of the nuclear Born-Oppenheimer (NBO) method. In this limit, the method is shown to give back the random phase approximation (RPA) equations of motion. The contribution of the zero-point fluctuations to the ground state are examined, and the NBO ground state energy derived is shown to be identical to the RPA ground state energy.
Brünken, S.; Müller, H. S. P.; Thorwirth, S.; Lewen, F.; Winnewisser, G.
2006-01-01
The pure rotational spectrum of deuterium isocyanide (DNC) was recorded in the frequency range from approximately 680 to 1985 GHz. Twenty-one new transitions in the vibrational ground and first excited bending states (01e,f 0) have been assigned, namely R-branch transitions from J=9-8 to 25-24. In a least squares analysis of these new transition frequencies together with previously reported millimeter-wave data, spectroscopic parameters up to sextic order could be derived with high precision for both states. Furthermore, the l-type doubling constant q and its centrifugal distortion terms qJ and qJJ were obtained for the first excited bending state.
Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Maine, P.; Minkova, A.; Murray, S. H. T.; Ncapayi, N. J.; Vymers, P.
2008-05-01
The results of our measurements on the yrare states up to spin 20ℏ in 152,154,155Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155Gd the decay scheme is divided into levels feeding the [505]11/2- band, that is extruded by the prolate deformation from the h11/2 orbital, and levels feeding the i13/2[651]3/2+ intruder orbital and the h9/2[521]3/2- orbital. The decay scheme of 154Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |01+> plus a ``congruent'' set of collective states based on the |02+> state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei.
Vibrational Spectrum of o-Dimethoxybenzene in the S1 and D0 States
Institute of Scientific and Technical Information of China (English)
HUANG,Jian-Han; TZENG,Wen-Bih; HUANG,Ke-Long
2008-01-01
The optimized molecular geometries of o-dimethoxybenzene (ODMB) in the S0 state were predicted by ab initio and density functional theory calculations. Its vibrational spectra in the S1 and D0 states were studied by one color resonant two photon ionization (1C-R2PI) and mass analyzed threshold ionization (MATI) experiments. The results indicated that trans rotamer was most stable. Only one rotamer of ODMB was detected by the 1C-R2PI spectra, and its band origin was (35750±2) cm-1, its ionization energy was (61617±5) cm-1. Most of the observed vibrations in the D0 state resulted from the in-plane ring and substituent sensitive modes.
Cao, Fangfei; Liu, Jinkun
2017-10-01
Considering full state constraints, this paper designs a boundary controller for a two-link rigid-flexible manipulator via Barrier Lyapunov Function. The dynamic model of the two-link rigid-flexible manipulator is described by coupled ordinary differential equations- partial differential equations (ODEs-PDEs). Based on the original model without neglecting the high-frequency modes, boundary controller is proposed to regulate the joint positions and eliminate the elastic vibration simultaneously. To ensure that the full state constraints which include position, speed and vibration constraints are not transgressed, a Barrier Lyapunov Function is employed in the proposed controller. The asymptotic stability of the closed-loop system is rigorously proved by the LaSalle's Invariance Principle. Simulations are given to verify the effectiveness of the proposed controller with state constraints.
Stamm, A; Weiler, M; Brächer, A; Schwing, K; Gerhards, M
2014-10-21
In this paper the excited state proton transfer (ESPT) of isolated 3-hydroxychromone (3-HC), the prototype of the flavonols, is investigated for the first time by combined IR/UV spectroscopy in molecular beam experiments. The IR/UV investigations are performed both for the electronically excited and electronic ground state indicating a spectral overlap of transitions of the 3-HC monomer and clusters with water in the electronic ground state, whereas in the excited state only the IR frequencies of the proton-transferred monomer structure are observed. Due to the loss of isomer and species selectivity with respect to the UV excitations IR/IR techniques are applied in order to figure out the assignment of the vibrational transitions in the S0 state. In this context the quadruple resonance IR/UV/IR/UV technique (originally developed to distinguish different isomers in the electronically excited state) could be applied to identify the OH stretching vibration of the monomer in the electronic ground state. In agreement with calculations the OH stretching frequency differs significantly from the corresponding values of substituted hydroxychromones.
Park, G Barratt; Saladrigas, Catherine A; Field, Robert W
2016-01-01
The $\\mathrm{\\tilde{C}}$ $^1$B$_2$ state of SO$_2$ has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b$_2$ vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the $\\mathrm{\\tilde{X}}$ state are vibronically forbidden. We use IR-UV double resonance to observe the b$_2$ vibrational levels of the $\\mathrm{\\tilde{C}}$ state below 1600 cm$^{-1}$ of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results from the double-minimum potential. In addition, it allows us to deperturb the strong $c$-axis Coriolis interactions between levels of a$_1$ and b$_2$ vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted $\\mathrm{\\tilde{C}}$ electronic state.
Smith, Andrew; LaVerde, Bruce; Waldon, James; Hunt, Ron
2014-01-01
Marshall Space Flight Center has conducted a series of ground acoustic tests with the dual goals of informing analytical judgment, and validating analytical methods when estimating vibroacoustic responses of launch vehicle subsystems. The process of repeatedly correlating finite element-simulated responses with test-measured responses has assisted in the development of best practices for modeling and post-processing. In recent work, force transducers were integrated to measure interface forces at the base of avionics box equipment. Other force data was indirectly measured using strain gauges. The combination of these direct and indirect force measurements has been used to support and illustrate the advantages of implementing the Force Limiting approach for equipment qualification tests. The comparison of force response from integrated system level tests to measurements at the same locations during component level vibration tests provides an excellent illustration. A second comparison of the measured response cases from the system level acoustic tests to finite element simulations has also produced some principles for assessing the suitability of Finite Element Models (FEMs) for making vibroacoustics estimates. The results indicate that when FEM models are employed to guide force limiting choices, they should include sufficient detail to represent the apparent mass of the system in the frequency range of interest.
Ultimate Strength of Fixed Offshore Platforms Subjected to Near-Fault Earthquake Ground Vibration
Directory of Open Access Journals (Sweden)
Hesam Sharifian
2015-01-01
Full Text Available The pile foundation nonlinearity and its influence on the ultimate capacity of fixed platforms have not comprehensively been covered by previous researchers. In this study, the seismic behavior and capacity of a newly designed and installed Jacket Type Offshore Platform (JTOP located in the Persian Gulf is investigated by conducting Incremental Dynamic Analysis (IDA using a suit of near-fault ground motions. Additionally, two modified models of the original platform are created by slightly increasing the diameter of the pile foundation and also softening the jacket part for evaluating the importance of the pile foundation and seismic soil-pile structure interaction on the dynamic characteristics of the JTOPs. Valuable discussions are provided to explore various aspects of the dynamic behavior of JTOPs by presenting individual and multirecords IDA curves using effective Engineering Demand Parameters (EDPs. Comparing the results of the three platform collapse fragility curves, it is concluded that the pile foundation plays a very important role in the dynamic response of offshore platforms and can drastically alter the ultimate strength of the platform together with its collapse capacity. It is observed that the proportional distribution of nonlinear behavior in the pile foundation and jacket part is the key factor in the enhancement of the ultimate strength of JTOPs. On the basis of the results derived from this paper, it is recommended that some basic requirements should be developed in order to ensure that the coupling ductility of pile foundation and jacket part is optimized during the design process. Furthermore, according to the findings from this study, some practice recommendations are presented to be devised within the design step.
Hara, Akito; Awano, Teruyoshi
2017-06-01
Ultrashallow thermal donors (USTDs), which consist of light element impurities such as carbon, hydrogen, and oxygen, have been found in Czochralski silicon (CZ Si) crystals. To the best of our knowledge, these are the shallowest hydrogen-like donors with negative central-cell corrections in Si. We observed the ground-state splitting of USTDs by far-infrared optical absorption at different temperatures. The upper ground-state levels are approximately 4 meV higher than the ground-state levels. This energy level splitting is also consistent with that obtained by thermal excitation from the ground state to the upper ground state. This is direct evidence that the wave function of the USTD ground state is made up of a linear combination of conduction band minimums.
Ground-state properties of neutron-rich Mg isotopes
Watanabe, Shin; Shimada, Mitsuhiro; Tagami, Shingo; Kimura, Masaaki; Takechi, Maya; Fukuda, Mitsunori; Nishimura, Daiki; Suzuki, Takeshi; Matsumoto, Takuma; Shimizu, Yoshifumi R; Yahiro, Masanobu
2014-01-01
We analyze recently-measured total reaction cross sections for 24-38Mg isotopes incident on 12C targets at 240 MeV/nucleon by using the folding model and antisymmetrized molecular dynamics(AMD). The folding model well reproduces the measured reaction cross sections, when the projectile densities are evaluated by the deformed Woods-Saxon (def-WS) model with AMD deformation. Matter radii of 24-38Mg are then deduced from the measured reaction cross sections by ?ne-tuning the parameters of the def-WS model. The deduced matter radii are largely enhanced by nuclear deformation. Fully-microscopic AMD calculations with no free parameter well reproduce the deduced matter radii for 24-36Mg, but still considerably underestimate them for 37,38Mg. The large matter radii suggest that 37,38Mg are candidates for deformed halo nucleus. AMD also reproduces other existing measured ground-state properties (spin-parity, total binding energy, and one-neutron separation energy) of Mg isotopes. Neutron-number (N) dependence of defor...
Tunneling ionization of vibrationally excited nitrogen molecules
Kornev, Aleksei S.; Zon, Boris A.
2015-09-01
Ionization of molecular nitrogen plays an important role in the process of light-filament formation in air. In the present paper we theoretically investigated tunneling ionization of the valence 3 σg and 1 πu shells in a N2 molecule using a strong near-infrared laser field. This research is based on our previously proposed theory of anti-Stokes-enhanced tunneling ionization with quantum accounting for the vibrationally excited states of the molecules [A. S. Kornev and B. A. Zon, Phys. Rev. A 86, 043401 (2012), 10.1103/PhysRevA.86.043401]. We demonstrated that if the N2 molecule is ionized from the ground vibrational state, then the contribution of the 1 πu orbital is 0.5%. In contrast, for vibrationally excited states with a certain angle between the light polarization vector and the molecule axis, both shells can compete and even reverse their contributions due to the anti-Stokes mechanism. The structure constants of molecular orbitals are extracted from numerical solutions to the Hartree-Fock equations. This approach correctly takes into account the exchange interaction. Quantum consideration of vibrational motion results in the occurrence of the critical vibrational state, the tunneling ionization from which has the maximum rate. The numbers of the critical vibrational states are different for different valence shells. In addition, quantum description of vibrations changes the rate of ionization from the ground vibrational state by 20%-40% in comparison with the quasiclassical results.
Local reversibility and entanglement structure of many-body ground states
Kuwahara, Tomotaka; Amico, Luigi; Vedral, Vlatko
2015-01-01
The low-temperature physics of quantum many-body systems is largely governed by the structure of their ground states. Minimizing the energy of local interactions, ground states often reflect strong properties of locality such as the area law for entanglement entropy and the exponential decay of correlations between spatially separated observables. In this letter we present a novel characterization of locality in quantum states, which we call `local reversibility'. It characterizes the type of operations that are needed to reverse the action of a general disturbance on the state. We prove that unique ground states of gapped local Hamiltonian are locally reversible. This way, we identify new fundamental features of many-body ground states, which cannot be derived from the aforementioned properties. We use local reversibility to distinguish between states enjoying microscopic and macroscopic quantum phenomena. To demonstrate the potential of our approach, we prove specific properties of ground states, which are ...
Ground state properties of a Bose-Einstein condensate confined in an anharmonic external potential
Institute of Scientific and Technical Information of China (English)
Wang Deng-Long; Yan Xiao-Hong; Tang Yi
2004-01-01
In light of the interference experiment of Bose-Einstein condensates, we present an anharmonic external potential model to study ground state properties of Bose-Einstein condensates. The ground state energy and the chemical potential have been analytically obtained, which are lower than those in harmonic trap. Additionally, it is found that the anharmonic strength of the external potential has an important effect on density and velocity distributions of the ground state for the Thomas-Fermi model.
Upper Bounds on the Degeneracy of the Ground State in Quantum Field Models
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Asao Arai
2016-01-01
Full Text Available Axiomatic abstract formulations are presented to derive upper bounds on the degeneracy of the ground state in quantum field models including massless ones. In particular, given is a sufficient condition under which the degeneracy of the ground state of the perturbed Hamiltonian is less than or equal to the degeneracy of the ground state of the unperturbed one. Applications of the abstract theory to models in quantum field theory are outlined.
Exact many-electron ground states on diamond and triangle Hubbard chains
2008-01-01
We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (i) a rewriting of the Hamiltonian into positive semidefinite form, (ii) the construction of a many-electron ground state of this Hamiltonian, and (iii) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fu...
Jacobs, M.H.G.; van den Berg, A.P.; Schmid-Fetzer, R.
2013-01-01
We use Kieffer's model to represent the vibrational density of states (VDoS) and thermodynamic properties of pure substances in pressure-temperature space. We show that this model can be simplified to a vibrational model in which the VDoS is represented by multiple Einstein frequencies without
Huang, Dao-Ling; Liu, Hong-Tao; Dau, Phuong Diem; Wang, Lai-Sheng
2014-06-01
High-resolution vibrational spectroscopy of transient species is important for determining their molecular structures and understanding their chemical reactivity. However, the low abundance and high reactivity of molecular radicals pose major challenges to conventional absorption spectroscopic methods. The observation of dipole-bound states (DBS) in anions extend autodetachment spectroscopy to molecular anions whose corresponding neutral radicals possess a large enough dipole moment (>2.5 D).1,2 However, due to the difficulty of assigning the congested spectra at room temperature, there have been only a limited number of autodetachment spectra via DBS reported. Recently, we have built an improved version of a cold trap3 coupled with high-resolution photoelectron imaging.4 The first observation of mode-specific auotodetachment of DBS of cold phenoxide have shown that not only vibrational hot bands were completely suppressed, but also rotational profile was observed.5 The vibrational frequencies of the DBS were found to be the same as those of the neutral radical, suggesting that vibrational structures of dipolar radicals can be probed via DBS.5 More significantly, the DBS resonances allowed a number of vibrational modes with very weak Frank-Condon factors to be "lightened" up via vibrational autodetachment.5 Recently, our first high-resolution vibrational spectroscopy of the dehydrogenated uracil radical, with partial rotational resolution, via autodetachment from DBS of cold deprotonated uracil anions have been reported.6 Rich vibrational information is obtained for this important radical species. The resolved rotational profiles also allow us to characterize the rotational temperature of the trapped anions for the first time.6 1 K. R. Lykke, D. M. Neumark, T. Andersen, V. J. Trapa, and W. C. Lineberger, J. Chem. Phys. 87, 6842 (1987). 2 D. M. Wetzel, and J. I. Brauman, J. Chem. Phys. 90, 68 (1989). 3 P. D. Dau, H. T. Liu, D. L. Huang, and L. S. Wang, J. Chem. Phys
Symmetry Beyond Perturbation Theory: Floppy Molecules and Rotation-Vibration States
Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per
2015-06-01
In the customary approach to the theoretical description of the nuclear motion in molecules, the molecule is seen as a near-static structure rotating in space. Vibrational motion causing small structural deformations induces a perturbative treatment of the rotation-vibration interaction, which fails in fluxional molecules, where all vibrational motions are large compared to the linear extension of the molecule. An example is protonated methane (CH_5^+). For this molecule, customary theory fails to simulate reliably even the low-energy spectrum. Within the traditional view of rotation and vibration being near-separable, rotational and vibrational wavefunctions can be symmetry classified separately in the molecular symmetry (MS) group. In the present contribution we discuss a fundamental group theoretical approach to the problem of determining the symmetries of molecular rotation-vibration states. We will show that all MS groups discussed so far are subgroups of the special orthogonal group in three dimensions SO(3) This leads to a group theoretical foundation of the technique of equivalent rotations. The MS group of protonated methane (G240) represents, to the best of our knowledge, the first example of an MS group which is not a subgroup of SO(3) (nor of O(3) nor of SU(2)). Because of this, a separate symmetry classification of vibrational and rotational wavefunctions becomes impossible in this MS group, consistent with the fact that a decoupling of vibrational and rotational motion is impossible. We want to discuss the consequences of this. In conclusion, we show that the prototypical floppy molecule CH_5^+ represents a new class of molecules, where usual group theoretical methods for determining selection rules and spectral assignments fail so that new methods have to be developed. P. Kumar and D. Marx, Physical Chemistry Chemical Physics 8, 573 (2006) Z. Jin, B. J. Braams, and J. M. Bowman, The Journal of Physical Chemistry A 110, 1569 (2006) A. S. Petit, J. E
Intermolecular Vibrations of the Complex of NO in the nsσ Rydberg States and Ar
Tsuji, Kazuhide; Shibuya, Kazuhiko; Obi, Kinichi
1995-01-01
The resonance enhanced multiphoton ionization method has been applied to the study of NO-Ar van der Waals complex in the nsσ (n = 3,4) Rydberg states. We have assigned the intermolecular vibrations appearing in the Ã—X˜ excitation spectrum of the complex. The bending structure appeared only with the excitation of the stretching mode in the Ã state, which was interpreted by intermolecular forces. The E˜-Ã excitation spectra were independent of the initial intermolecular level in the Ã state an...
Electron-vibration relaxation in oxygen plasmas
Laporta, V.; Heritier, K. L.; Panesi, M.
2016-06-01
An ideal chemical reactor model is used to study the vibrational relaxation of oxygen molecules in their ground electronic state, X3Σg-, in presence of free electrons. The model accounts for vibrational non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules. The vibrational levels of the molecules are treated as separate species, allowing for non-Boltzmann distributions of their population. The electron and vibrational temperatures are varied in the range [0-20,000] K. Numerical results show a fast energy transfer between oxygen molecules and free electron, which causes strong deviation of the vibrational distribution function from Boltzmann distribution, both in heating and cooling conditions. Comparison with Landau-Teller model is considered showing a good agreement for electron temperature range [2000-12,000] K. Finally analytical fit of the vibrational relaxation time is given.
Effect of thermal ground state correlations on the statistical properties of the Lipkin model
Energy Technology Data Exchange (ETDEWEB)
Vdovin, A.I.; Storozhenko, A.N. [Joint Inst. for Nuclear Research, Dubna (Russian Federation). Lab. of Theoretical Physics
1999-07-01
The renormalized random phase approximation for hot finite Fermi systems is evaluated with the use of the thermofield dynamics formalism. This approximation treats vibrations of a hot finite Fermi system as harmonic ones but takes into account the Pauli principle in a more proper way than the usual thermal RPA, thus incorporating a new type of correlations in a thermal ground state. To demonstrate advantages of the approximation and to analyze a range of its validity, it is applied to the exactly solvable Lipkin model. A comparison is made with the exact grand canonical ensemble calculations, results of the thermal Hartree-Fock approximation and the thermal random phase approximation. The intrinsic energy of the system, the heat capacity, the average value of the quasispin operator z-projection and the particle number variance are calculated as functions of temperature. On the whole, the thermal renormalized RPA appears to be a better approximation than the other two. Its advantage is especially evident in the vicinity of the phase transition point. It is found that within TRRPA the phase transition occurs at lower temperature than in THFA and TRPA. (orig.) 28 refs.
Ground-state potential energy curves of LiHg, NaHg, and KHg revisited
Thiel, Linda; Hotop, Hartmut; Meyer, Wilfried
2003-11-01
We present the results of large-scale CCSD(T) calculations on the potential energy curves for the ground states of LiHg, NaHg, and KHg. In these calculations, the Hg20+ core is simulated by a pseudopotential which has been adjusted to reproduce experimental excitation and ionization energies of the Hg atom at the coupled-cluster level. Moreover, we apply a weighted multiproperty fitting procedure to determine reliable potentials for LiHg, NaHg, and KHg which reproduce the available experimental results. In the case of LiHg, this best-fit potential is based solely on experimental data and its agreement with our calculated potential supports our computational procedure. For NaHg and KHg the experimental data had to be complemented by theoretical results in order to fix a best-fit potential. Our potentials and those proposed previously are evaluated by comparing calculated scattering cross sections and vibrational energy levels with the available experimental data.
Coppola, C M; Bruno, D; Esposito, F; Galli, D; Palla, F; Longo, S
2016-01-01
The radiative cooling of shocked gas with primordial chemical composition is an important process relevant to the formation of the first stars and structures, as well as taking place also in high velocity cloud collisions and supernovae explosions. Among the different processes that need to be considered, the formation kinetics and cooling of molecular hydrogen are of prime interest, since they provide the only way to lower the gas temperature to values well below $\\sim$10$^4$~K. In previous works, the internal energy level structure of H$_2$ and its cation has been treated in the approximation of rovibrational ground state at low densities, or trying to describe the dynamics using some arbitrary $v>0$ H$_2$ level that is considered representative of the excited vibrational manifold. In this study, we compute the vibrationally resolved kinetics for the time-dependent chemical and thermal evolution of the post-shock gas in a medium of primordial composition. The calculated non-equilibrium distributions are use...
Lower bounds for the ground-state degeneracies of frustrated systems on fractal lattices
Curado; Nobre
2000-12-01
The total number of ground states for nearest-neighbor-interaction Ising systems with frustrations, defined on hierarchical lattices, is investigated. A simple method is presented, which allows one to factorize the ground-state degeneracy, at a given hierarchy level n, in terms of contributions due to all hierarchy levels. Such a method may yield the exact ground-state degeneracy of uniformly frustrated systems, whereas it works as an approximation for randomly frustrated models. In the latter cases, it is demonstrated that such an approximation yields lower-bound estimates for the ground-state degeneracies.
Ground-State Analysis for an Exactly Solvable Coupled-Spin Hamiltonian
Directory of Open Access Journals (Sweden)
Eduardo Mattei
2013-11-01
Full Text Available We introduce a Hamiltonian for two interacting su(2 spins. We use a mean-field analysis and exact Bethe ansatz results to investigate the ground-state properties of the system in the classical limit, defined as the limit of infinite spin (or highest weight. Complementary insights are provided through investigation of the energy gap, ground-state fidelity, and ground-state entanglement, which are numerically computed for particular parameter values. Despite the simplicity of the model, a rich array of ground-state features are uncovered. Finally, we discuss how this model may be seen as an analogue of the exactly solvable p+ip pairing Hamiltonian.
Ground state solutions for asymptotically periodic Schrodinger equations with critical growth
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Hui Zhang
2013-10-01
Full Text Available Using the Nehari manifold and the concentration compactness principle, we study the existence of ground state solutions for asymptotically periodic Schrodinger equations with critical growth.
STEADY-STATE RESPONSES AND THEIR STABILITY OF NONLINEAR VIBRATION OF AN AXIALLY ACCELERATING STRING
Institute of Scientific and Technical Information of China (English)
吴俊; 陈立群
2004-01-01
The steady-state transverse vibration of an axially moving string with geometric nonlinearity was investigated. The transport speed was assumed to be a constant mean speed with small harmonic variations. The nonlinear partial-differential equation that governs the transverse vibration of the string was derived by use of the Hamilton principle. The method of multiple scales was applied directly to the equation. The solvability condition of eliminating the secular terms was established. Closed form solutions for the amplitude and the existence conditions of nontrivial steady-state response of the two-to-one parametric resonance were obtained. Some numerical examples showing effects of the mean transport speed, the amplitude and the frequency of speed variation were presented. The Liapunov linearized stability theory was employed to derive the instability conditions of the trivial solution and the nontrivial solutions for the two-to-one parametric resonance. Some numerical examples highlighting influences of the related parameters on the instability conditions were presented.
Atomic-partial vibrational density of states of i-AlCuFe quasicrystals
Parshin, P P; Brand, R A; Dianoux, A J; Calvayrac, Y
2002-01-01
We present new results on the separation of the atomic-partial vibrational density of states for the ternary quasicrystal i-Al sub 6 sub 2 Cu sub 2 sub 5 sub . sub 5 Fe sub 1 sub 2 sub . sub 5. The decomposition into three atomic-partial functions, Al-, Cu- and Fe-g(E), has been performed self-consistently with the calculation of the multi-phonon contributions. The results show the surprising result that both Cu- and Fe-g(E) are strongly peaked. The low-energy regions of Al- and Cu-g(E) show strong deviations from Debye behaviour due to the presence of non-propagating low-energy vibrational states. (orig.)
Spontaneous fission half-lives of heavy nuclei in ground state and in isomeric state
Ren, Zhongzhou; Xu, Chang
2005-09-01
We generalize the formulas of spontaneous fission half-lives of even-even nuclei in their ground state to both the case of odd nuclei and the case of fission isomers [Phys. Rev. C 71 (2005) 014309]. The spontaneous fission half-lives of odd- A nuclei and of odd-odd nuclei in the ground state are calculated by Swiatecki's formula, by its generalized form, and by a new formula where the blocking effect of unpaired nucleon on the half-lives has been taken into account with different mechanisms. By introducing a blocking factor or a generalized seniority in the formulas of the half-lives of even-even nuclei, we can reasonably reproduce the experimental fission half-lives of odd- A nuclei and of odd-odd nuclei with the same parameters used in ground state of even-even nuclei. For spontaneous fission of the isomers in transuranium nuclei the new formula can be simplified into a three-parameter formula and the isomeric half-lives can be well reproduced by the formula. The new formula of the isomeric half-lives is as good as Metag's formula of fission isomers. The half-lives of isomers from these formulas are very accurate and therefore these formulas can give reliable predictions for half-lives of new isomers of neighboring nuclei.
Derivation of novel human ground state naive pluripotent stem cells.
Gafni, Ohad; Weinberger, Leehee; Mansour, Abed AlFatah; Manor, Yair S; Chomsky, Elad; Ben-Yosef, Dalit; Kalma, Yael; Viukov, Sergey; Maza, Itay; Zviran, Asaf; Rais, Yoach; Shipony, Zohar; Mukamel, Zohar; Krupalnik, Vladislav; Zerbib, Mirie; Geula, Shay; Caspi, Inbal; Schneir, Dan; Shwartz, Tamar; Gilad, Shlomit; Amann-Zalcenstein, Daniela; Benjamin, Sima; Amit, Ido; Tanay, Amos; Massarwa, Rada; Novershtern, Noa; Hanna, Jacob H
2013-12-12
Mouse embryonic stem (ES) cells are isolated from the inner cell mass of blastocysts, and can be preserved in vitro in a naive inner-cell-mass-like configuration by providing exogenous stimulation with leukaemia inhibitory factor (LIF) and small molecule inhibition of ERK1/ERK2 and GSK3β signalling (termed 2i/LIF conditions). Hallmarks of naive pluripotency include driving Oct4 (also known as Pou5f1) transcription by its distal enhancer, retaining a pre-inactivation X chromosome state, and global reduction in DNA methylation and in H3K27me3 repressive chromatin mark deposition on developmental regulatory gene promoters. Upon withdrawal of 2i/LIF, naive mouse ES cells can drift towards a primed pluripotent state resembling that of the post-implantation epiblast. Although human ES cells share several molecular features with naive mouse ES cells, they also share a variety of epigenetic properties with primed murine epiblast stem cells (EpiSCs). These include predominant use of the proximal enhancer element to maintain OCT4 expression, pronounced tendency for X chromosome inactivation in most female human ES cells, increase in DNA methylation and prominent deposition of H3K27me3 and bivalent domain acquisition on lineage regulatory genes. The feasibility of establishing human ground state naive pluripotency in vitro with equivalent molecular and functional features to those characterized in mouse ES cells remains to be defined. Here we establish defined conditions that facilitate the derivation of genetically unmodified human naive pluripotent stem cells from already established primed human ES cells, from somatic cells through induced pluripotent stem (iPS) cell reprogramming or directly from blastocysts. The novel naive pluripotent cells validated herein retain molecular characteristics and functional properties that are highly similar to mouse naive ES cells, and distinct from conventional primed human pluripotent cells. This includes competence in the generation
Vibrational relaxation of guest and host in mixed molecular crystals
Hill, Jeffrey R.; Chronister, Eric L.; Chang, Ta-Chau; Kim, Hackjin; Postlewaite, Jay C.; Dlott, Dana D.
1988-02-01
Vibrational relaxation (VR) of dilute impurity molecules (naphthalene, anthracene) in crystalline host matrices (durene, naphthalene) is studied with the ps photon echo technique. The results obtained by echoes on vibrations in the electronically excited state are compared to previous ps time delayed coherent Raman studies of ground state vibrations of the pure host matrix. The relaxation channels for guest and host, and the effects of molecular and crystal structure on VR rates are determined.
E2 transitions between excited single-phonon states: Role of ground-state correlations
Energy Technology Data Exchange (ETDEWEB)
Kamerdzhiev, S. P. [National Research Centre Kurchatov Institute (Russian Federation); Voitenkov, D. A., E-mail: dvoytenkov@ippe.ru [Institute for Physics and Power Engineering (Russian Federation)
2016-11-15
The probabilities for E2 transitions between low-lying excited 3{sup −} and 5{sup −} single-phonon states in the {sup 208}Pb and {sup 132}Sn magic nuclei are estimated on the basis of the theory of finite Fermi systems. The approach used involves a new type of ground-state correlations, that which originates from integration of three (rather than two, as in the random-phase approximation) single-particle Green’s functions. These correlations are shown to make a significant contribution to the probabilities for the aforementioned transitions.
Ground Vibration Isolation of Multiple Scattering by Using Rows of Tubular Piles as Barriers
Directory of Open Access Journals (Sweden)
Miao-miao Sun
2014-01-01
Full Text Available A new formal solution for the multiple scattering of plane harmonic waves by a group of arbitrary configuration tubular piles in an elastic total space is derived. Each order of scattering satisfies prescribed boundary conditions at the interface of tubular piles, which is delivered as the sum of incident and scattering waves. The first order performs the scattering wave by each scattered pile and the subsequent orders resulted from the excitation of each pile of first order of scattering from the remaining tubular piles. Advanced scattering orders can be regarded as the same manners. Several series of scattering coefficients are figured out with the aids of addition theorem so that the exact steady-state solution for the scattered displacement and stress is obtained. Particularly, when internal diameter of tubular piles tends to be infinitely small, it degenerates to a solid pile problem. By imposing the normalized displacement amplitudes and transmissibility indices, the influences of specific parameters such as scattering orders, internal and external diameter ratio of piles, pile material rigidity, position and distances between tubular pile and pile rows, and pile numbers are discussed. Certain recommended conclusions have been drawn as the guidelines of practical engineering design for discontinuous barrier of tubular piles.
Niessen, Katherine; Xu, Mengyang; Snell, Edward; Markelz, Andrea
Long-range intramolecular vibrations may enable efficient access to functionally important conformations. We examine how these motions change with inhibitor binding and mutation using terahertz anisotropic absorption and molecular modeling. The measured anisotropic absorption dramatically changes with 3NAG inhibitor binding for wild type (WT) free chicken egg white lysozyme (CEWL). We examine the evolution of internal motions with binding using normal mode analysis to calculate an ensemble averaged vibrational density of states (VDOS) and isotropic and anisotropic absorptions for both WT and a two residue (R14 and H15) deletion mutant which has a 1.4 higher activity rate. While the VDOS and isotropic response are largely unchanged with inhibitor binding, the anisotropic response changes dramatically with binding. However, for the mutant the calculated unbound anisotropic absorption more closely resembles its bound spectrum, and it has increased calculated mean squared fluctuations in regions overlapping those in its bound state. These results indicate that the mutant's enhanced activity may be due to a shift in the direction of vibrations toward those of the bound state, increasing the sampling rate of the bound conformation.
Tuttle, William D.; Gardner, Adrian M.; Whalley, Laura E.; Wright, Timothy G.
2017-06-01
A study of the vibration and vibration-torsion levels of para-fluorotoluene in the 580-830 cm-1 region is presented, where a number of features are located whose identity is complicated by interactions and overlap. We examine this region with a view to ascertaining the assignments of the bands; in particular, identifying those that arise from interactions involving various zero-order states (ZOSs) involving both vibrations and torsions. Resonance-enhanced multiphoton ionization (REMPI) is employed to identify the wavenumbers of the relevant transitions, and subsequently zero-kinetic-energy (ZEKE) spectra are recorded to assign the various eigenstates. In some cases, a set of ZEKE spectra are recorded across the wavenumber range of a REMPI feature, and we construct what we term a two-dimensional ZEKE (2D-ZEKE) spectrum, which allows the changing ZOS contributions to the eigenstates to be ascertained. Assignment of the observed bands is aided by quantum chemical calculations and all b1 and a2 symmetry vibrational wavenumbers are now determined in the S1 state and cation, as well as those of the D10 vibration. We also compare to the activity seen in the corresponding S1 ← S0 spectrum of para-difluorobenzene.
Flaud, J. M.; Camypeyret, C.; Burger, H.; Jensen, P.; Kozin, I. N.
1995-07-01
The present paper reports experimental evidence for the "cluster effect" (i.e., the formation of nearly degenerate, four-member groups of rotation-vibration energy levels at high rotational excitation) in the ν 1/ν 3 vibrational states of the H 280Se molecule. The formation of such clusters in the vibrational ground state of H 280Se has been experimentally verified (see I. N. Kozin, S. Klee, P. Jensen, O. L. Polyansky, and I. M. Pavlichenkov, J. Mol. Spectrosc.158, 409-422, 1993 and references therein). K. K. Lehmann ( J. Chem. Phys.95, 2361-2370, 1991) and I. N. Kozin and P. Jensen ( J. Mol. Spectrosc.161, 186-207, 1993) independently predicted the existence of a new type of fourfold clusters (referred to by Kozin and Jensen as Type II clusters) in the ν 1/ν 3 vibrational states of H 280Se. These clusters form by coalescence of two energy doublets, one belonging to the ν 1 vibrational state and one belonging to the ν 3 state. However, from the experimental data available at the time (J.-M. Flaud, C. Camy-Peyret, H. Bürger, and H. Willner, J. Mol. Spectrosc.161, 157-169, 1993) the term values of the levels predicted to form clusters could be obtained for J ≤ 13 only. At this J value, the term values are still far from cluster formation. For the present work, we have recorded a new FTIR spectrum of H 280Se at high pressure × (path length) with the purpose of providing new information about the cluster formation. In this spectrum, we can follow the doublets at highest energy in the ν 1 and ν 3 states, respectively, to J = 18 where the energy difference between them is 0.94 cm -1. On the basis of this fact and on the basis of the trend shown by the experimentally derived term values, we conclude that the present work provides experimental verification of the formation of Type II clusters in the ν 1/ν 3 vibrational states of H 280Se.
Defazio, Paolo; Petrongolo, Carlo
2009-04-23
We present a quantum study of the reaction F((2)P) + HCl(X(1)Sigma(+)) --> HF(X(1)Sigma(+)) + Cl((2)P) on a recently computed 1(2)A' ground-state surface, considering HCl in the ground vibrational state, with up to 16 rotational quanta j(0). We employ the real wavepacket (WP) and flux methods for calculating coupled-channel (CC) and centrifugal-sudden (CS) initial-state probabilities up to J = 80 and 140, respectively. We also report CC and CS ground-state cross sections and CS excited-state cross sections and discuss the dynamics analyzing WP time evolutions. The HCl rotation highly enhances reaction probabilities and cross sections, as it was previously found for probabilities at J Coriolis couplings favor instead the energy flow from the HCl rotation to the F-H---Cl reactive vibration. WP snapshots confirm and explain the HCl rotational effects, because the density into the nearly collinear F-H---Cl product channel increases remarkably with j(0). Finally, our CS rate constant is underestimated with respect to the experiment, pointing out the need of more accurate multisurface and CC calculations.
Vibrational Quantum Decoherence in Liquid Water.
Joutsuka, Tatsuya; Thompson, Ward H; Laage, Damien
2016-02-18
Traditional descriptions of vibrational energy transfer consider a quantum oscillator interacting with a classical environment. However, a major limitation of this simplified description is the neglect of quantum decoherence induced by the different interactions between two distinct quantum states and their environment, which can strongly affect the predicted energy-transfer rate and vibrational spectra. Here, we use quantum-classical molecular dynamics simulations to determine the vibrational quantum decoherence time for an OH stretch vibration in liquid heavy water. We show that coherence is lost on a sub-100 fs time scale due to the different responses of the first shell neighbors to the ground and excited OH vibrational states. This ultrafast decoherence induces a strong homogeneous contribution to the linear infrared spectrum and suggests that resonant vibrational energy transfer in H2O may be more incoherent than previously thought.
Ground State of a Two-Electron Quantum Dot with a Gaussian Confining Potential
Institute of Scientific and Technical Information of China (English)
XIE Wen-Fang
2006-01-01
We investigate the ground-state properties of a two-dimensional two-electron quantum dot with a Gaussian confining potential under the influence of perpendicular homogeneous magnetic field. Calculations are carried out by using the method of numerical diagonalization of Hamiltonian matrix within the effective-mass approximation. A ground-state behaviour (singlet→triplet state transitions) as a function of the strength of a magnetic field has been found. It is found that the dot radius R of the Gaussian potential is important for the ground-state transition and the feature of ground-state for the Gaussian potential quantum dot (QD), and the parabolic potential QDs are similar when R is larger. The larger the quantum dot radius, the smaller the magnetic field for the singlet-triplet transition of the ground-state of two interacting electrons in the Gaussian quantum dot.
Ground-state and excited-state structures of tungsten-benzylidyne complexes
Energy Technology Data Exchange (ETDEWEB)
Lovaasen, B. M.; Lockard, J. V.; Cohen, B. W.; Yang, S.; Zhang, X.; Simpson, C. K.; Chen, L. X.; Hopkins, M. D. (Chemical Sciences and Engineering Division); ( XSD); (The Univ. of Chicago)
2012-01-01
The molecular structure of the tungsten-benzylidyne complex trans-W({triple_bond}CPh)(dppe){sub 2}Cl (1; dppe = 1,2-bis(diphenylphosphino)ethane) in the singlet (d{sub xy}){sup 2} ground state and luminescent triplet (d{sub xy}){sup 1}({pi}*(WCPh)){sup 1} excited state (1*) has been studied using X-ray transient absorption spectroscopy, X-ray crystallography, and density functional theory (DFT) calculations. Molecular-orbital considerations suggest that the W-C and W-P bond lengths should increase in the excited state because of the reduction of the formal W-C bond order and decrease in W {yields} P {pi}-backbonding, respectively, between 1 and 1*. This latter conclusion is supported by comparisons among the W-P bond lengths obtained from the X-ray crystal structures of 1, (d{sub xy}){sup 1}-configured 1{sup +}, and (d{sub xy}){sup 2} [W(CPh)(dppe){sub 2}(NCMe)]{sup +} (2{sup +}). X-ray transient absorption spectroscopic measurements of the excited-state structure of 1* reveal that the W-C bond length is the same (within experimental error) as that determined by X-ray crystallography for the ground state 1, while the average W-P/W-Cl distance increases by 0.04 {angstrom} in the excited state. The small excited-state elongation of the W-C bond relative to the M-E distortions found for M({triple_bond}E)L{sub n} (E = O, N) compounds with analogous (d{sub xy}){sup 1}({pi}*(ME)){sup 1} excited states is due to the {pi} conjugation within the WCPh unit, which lessens the local W-C {pi}-antibonding character of the {pi}*(WCPh) lowest unoccupied molecular orbital (LUMO). These conclusions are supported by DFT calculations on 1 and 1*. The similar core bond distances of 1, 1{sup +}, and 1* indicates that the inner-sphere reorganization energy associated with ground- and excited-state electron-transfer reactions is small.
High-spin states in the vibrational nucleus {sup 114}Cd
Energy Technology Data Exchange (ETDEWEB)
Jungclaus, A. [Universidad Autonoma de Madrid, E-28049, Madrid (Spain); Instituto de Estructura de la Materia, Consejo Superior de Investigaciones Cientificas, E-28006, Madrid (Spain); Algora, A. [IFIC-Universidad de Valencia, E-46071, Valencia (Spain); Axiotis, M.; Gadea, A.; Martinez, T.; Napoli, D.R. [INFN, Laboratori Nazionali di Legnaro, I-35020, Legnaro (Italy); Borge, M.J.G.; Piqueras, I. [Instituto de Estructura de la Materia, Consejo Superior de Investigaciones Cientificas, E-28006, Madrid (Spain); Fernandez, M.A. [Universidad Autonoma de Madrid, E-28049, Madrid (Spain); Galindo, E.; Hausmann, M. [II. Physikalisches Institut, Universitaet Goettingen, D-37073, Goettingen (Germany); Lenzi, S.; Ur, C. [Dipartimento di Fisica dell' Universita and INFN, Sezione di Padova, I-35131, Padova (Italy); Schwengner, R. [Institut fuer Kern- und Hadronenphysik, Forschungszentrum Rossendorf, D-01314, Dresden (Germany)
2004-04-01
High-spin states of the neutron-rich vibrational nucleus {sup 114}Cd have been studied using the incomplete fusion reaction {sup 110}Pd({sup 7}Li,p2n) and the GASP spectrometer in conjunction with the ISIS Si ball. About 50 new states with excitation energies up to 7 MeV and angular momentum I {<=}(18 +) were observed and for many of them, spin and parity could be firmly assigned. The band-like structures in {sup 114}Cd are compared to the corresponding ones in the even-even neighbour {sup 112}Cd. (orig.)
State-of-the-art in vibration-based electrostatic energy harvesting
Ullah Khan, Farid; Usman Qadir, Muhammad
2016-10-01
Recently, embedded systems and wireless sensor nodes have been gaining importance. For operating these devices several vibration-based energy harvesters have been successfully developed and reported, such as piezoelectric, electromagnetic, and electrostatic energy harvesters (EEHs). This paper presents the state-of-the-art in the field of vibration-based EEHs. Mainly, two types of EEHs, electret-free and electret-based, are reported in the literature. The developed EEHs are mostly of the centimeter scale. These energy harvesters, with resonant frequencies ranging from 2 Hz to 1.7 kHz, when subjected to excitation on the order of 0.25 g to 14.2 g, generate power that ranges from 0.46 nW to 2.1 mW.
Revised Iterative Solution of Ground State of Double-Well Potential
Institute of Scientific and Technical Information of China (English)
ZHAO Wei-Qin
2005-01-01
The revised new iterative method for solving the ground state of Schrodinger equation is deduced. Based on Green functions defined by quadratures along a single trajectory this iterative method is applied to solve the ground state of the double-well potential. The result is compared to the one based on the original iterative method. The limitation of the asymptotic expansion is also discussed.
Ground state solutions for nonlinear fractional Schrodinger equations involving critical growth
Directory of Open Access Journals (Sweden)
Hua Jin
2017-03-01
Full Text Available This article concerns the ground state solutions of nonlinear fractional Schrodinger equations involving critical growth. We obtain the existence of ground state solutions when the potential is not a constant and not radial. We do not use the Ambrosetti-Rabinowitz condition, or the monotonicity condition on the nonlinearity.
Ground state correlations and mean field using the exp(S) method
Heisenberg, J H; Heisenberg, Jochen H.; Mihaila, Bogdan
1999-01-01
This document gives a detailed account of the terms used in the computation of the ground state mean field and the ground state correlations. While the general approach to this description is given in a separate paper (nucl-th/9802029) we give here the explicite expressions used.
The study of magnetization of the spin systm in the ground state
Institute of Scientific and Technical Information of China (English)
Jiang Wei; Wang Xi-Kun; Zhao Qiang
2006-01-01
Within the framework of the effective-field theory with self-spin correlations and the differential operator technique,the ground state magnetizations of the biaxial crystal field spin system on the honeycomb lattices have been studied.The influences of the biaxial crystal field on the magnetization in the ground state have been investigated in detail.
Improved lower bounds on the ground-state entropy of the antiferromagnetic Potts model.
Chang, Shu-Chiuan; Shrock, Robert
2015-05-01
We present generalized methods for calculating lower bounds on the ground-state entropy per site, S(0), or equivalently, the ground-state degeneracy per site, W=e(S(0)/k(B)), of the antiferromagnetic Potts model. We use these methods to derive improved lower bounds on W for several lattices.
Phonon-state mixing in the lowest two $I^{\\pi}=2^+$ states of anharmonic vibration nuclei
Qin, Z Z
2016-01-01
The phonon-configuration mixing in $2^+_1$ and $2^+_2$ states beyond the anharmonic-vibration collectivity explains the universal correlations of $Q(2^+_1)=-Q(2^+_2)$. It also suggests another strong magnetic-moment correlation of $\\mu(2^+_1)=\\mu(2^+_2)$ for the anharmonic-vibration nuclei, which is further confirmed by our experimental-data survey. The global relation between $|Q(2^+)|$, $E_{2^+_1}$ and $E_{2^+_2}$ is analytically established according to the phonon-configuration mixing scheme, and roughly agrees with experiments. This relation may provide a convenient estimation of $|Q(2^+)|$ only with spectral input. The $N_pN_n$ scheme suggests that the phonon-configuration mixing may be driven by the neutron-proton interaction.
Helmich-Paris, Benjamin; Hättig, Christof; van Wüllen, Christoph
2016-04-12
In most organic molecules, phosphorescence has its origin in transitions from triplet exited states to the singlet ground state, which are spin-forbidden in nonrelativistic quantum mechanics. A sufficiently accurate description of phosphorescence lifetimes for molecules that contain only light elements can be achieved by treating the spin-orbit coupling (SOC) with perturbation theory (PT). We present an efficient implementation of this approach for the approximate coupled cluster singles and doubles model CC2 in combination with the resolution-of-the-identity approximation for the electron repulsion integrals. The induced oscillator strengths and phosphorescence lifetimes from SOC-PT are computed within the response theory framework. In contrast to previous work, we employ an explicitly spin-coupled basis for singlet and triplet operators. Thereby, a spin-orbital treatment can be entirely avoided for closed-shell molecules. For compounds containing only light elements, the phosphorescence lifetimes obtained with SOC-PT-CC2 are in good agreement with those of exact two-component (X2C) CC2, whereas the calculations are roughly 12 times faster than with X2C. Phosphorescence lifetimes computed for two thioketones with the SOC-PT-CC2 approach agree very well with reference results from experiment and are similar to those obtained with multireference spin-orbit configuration interaction and with X2C-CC2. An application to phosphorescent emitters for metal-free organic light-emitting diodes (OLEDs) with almost 60 atoms and more than 1800 basis functions demonstrates how the approach extends the applicability of coupled cluster methods for studying phosphorescence. The results indicate that other decay channels like vibrational relaxation may become important in such systems if lifetimes are large.
Parniak, Michał; Wasilewski, Wojciech
2015-01-01
We demonstrate an interface between light coupled to transition between excited states of rubidium and long-lived ground-state atomic coherence. In our proof-of-principle experiment a non-linear process of four-wave mixing in an open-loop configuration is used to achieve light emission proportional to independently prepared ground-state atomic coherence. We demonstrate strong correlations between Raman light heralding generation of ground-state coherence and the new four-wave mixing signal. Dependance of the efficiency of the process on laser detunings is studied.
Dixon, Richard N.; Oliver, Thomas A. A.; Ashfold, Michael N. R.
2011-05-01
When phenol is photoexcited to its S1 (11ππ*) state at wavelengths in the range 257.403 ≤ λphot ≤ 275.133 nm the O-H bond dissociates to yield an H atom and a phenoxyl co-product, with the available energy shared between translation and well characterised product vibration. It is accepted that dissociation is enabled by transfer to an S2 (11πσ*) state, for which the potential energy surface (PES) is repulsive in the O-H stretch coordinate, RO-H. This S2 PES is cut by the S1 PES near RO-H = 1.2 Å and by the S0 ground state PES near RO-H = 2.1 Å, to give two conical intersections (CIs). These have each been invoked—both in theoretical studies and in the interpretation of experimental vibrational activity—but with considerable controversy. This paper revisits the dynamic mechanisms that underlie the photodissociation of phenol and substituted phenols in the light of symmetry restrictions arising from torsional tunnelling degeneracy, which has been neglected hitherto. This places tighter symmetry constraints on the dynamics around the two CIs. The non-rigid molecular symmetry group G4 necessitates vibronic interactions by a2 modes to enable coupling at the inner, higher energy (S1/S2) CI, or by b1 modes at the outer, lower energy (S2/S0) CI. The experimental data following excitation through many vibronic levels of the S1 state of phenol and substituted phenols demonstrate the effective role of the ν16a (a2) ring torsional mode in enabling O-H bond fission. This requires tunnelling under the S1/S2 CI, with a hindering barrier of ˜5000 cm-1 and with the associated geometric phase effect. Quantum dynamic calculations using new ab initio PESs provide quantitative justification for this conclusion. The fates of other excited S1 modes are also rationalised, revealing both spectator modes and intramolecular vibrational redistribution between modes. A common feature in many cases is the observation of an extended, odd-number only, progression in product mode
Amano, T.
2011-05-01
Rotational transitions of DNC have been observed in the submillimeter-wave region in an extended negative glow discharge in a gas mixture of CD 4 and N 2. The dissociative recombination reaction of DCND + with electrons is thought to be a dominant channel to produce DNC in highly excited vibrational states. The vibrational temperature for the ν3 vibrational mode is found to be about 4000 K, and the rotational lines in levels up to (0 0 8) are observed. The rotational and centrifugal distortion constants are determined for these states along with those for the (1 0 0) state. The measurement accuracy is high enough to determine some higher order vibration-rotation interaction constants.
Stevenson, I C; Chen, Y P; Elliott, D S
2016-01-01
We report a newly observed photoassociation resonance in $^7$Li-$^{85}$Rb, a mixed $2(1) - 4(1)$ excited state, that spontaneously decays to the rovibronic ground state. This resonance between ultracold Li and Rb is the strongest ground state molecule-forming photoassociation line observed in LiRb, and forms deeply bound $X \\: ^1\\Sigma^+$ molecules in large numbers. The production rate of the $v=0 \\ J=0$ rovibrational ground state is $\\sim 1.5 \\times 10^{4}$ molecules/s.
Energy Technology Data Exchange (ETDEWEB)
Lucchese, Robert R [Department of Chemistry, Texas A and M University, College Station, TX 77843-3255 (United States); Bozek, John D [Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Das, Aloke [Indian Institute of Science Education and Research, Pune, Maharashtra 411008 (India); Poliakoff, E D, E-mail: lucchese@mail.chem.tamu.ed [Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803 (United States)
2009-11-01
Recent computed and experimental results for ICN, BF{sub 3} and C{sub 6}F{sub 6} will be presented. In ICN we consider the ionization leading to the X{sup 2} {Pi}{sub 1/2,3/2} states of ICN{sup +}. We show how the geometry dependence of the initial state orbital can be studied using vibrational branching ratios. In C{sub 6}F{sub 6}, we consider the excitation of the effects of two prominent shape resonances on the symmetric stretching modes in the photoionization leading to the C {sup 3}B{sub 2u} state of the ion. In BF{sub 3}, the excitation of both the symmetric stretching and the degenerate asymmetric stretching modes are considered in the photoionization leading to the E{sup 2}A{sub 1}' state of the ion.
The significant role of covalency in determining the ground state of cobalt phthalocyanines molecule
Directory of Open Access Journals (Sweden)
Jing Zhou
2016-03-01
Full Text Available To shed some light on the metal 3d ground state configuration of cobalt phthalocyanines system, so far in debate, we present an investigation by X-ray absorption spectroscopy (XAS at Co L2,3 edge and theoretical calculation. The density functional theory calculations reveal highly anisotropic covalent bond between central cobalt ion and nitrogen ligands, with the dominant σ donor accompanied by weak π-back acceptor interaction. Our combined experimental and theoretical study on the Co-L2,3 XAS spectra demonstrate a robust ground state of 2A1g symmetry that is built from 73% 3d7 character and 27% 3 d 8 L ¯ ( L ¯ denotes a ligand hole components, as the first excited-state with 2Eg symmetry lies about 158 meV higher in energy. The effect of anisotropic and isotropic covalency on the ground state was also calculated and the results indicate that the ground state with 2A1g symmetry is robust in a large range of anisotropic covalent strength while a transition of ground state from 2A1g to 2Eg configuration when isotropic covalent strength increases to a certain extent. Here, we address a significant anisotropic covalent effect of short Co(II-N bond on the ground state and suggest that it should be taken into account in determining the ground state of analogous cobalt complexes.
Janssen, S.A.; Vos, H.; Koopman, A.
2014-01-01
The objective of the present deliverable is to describe and assess reported health impacts of vibration among residents living near railway lines, in particular the response to freight trains. To this end, first a state of the art overview is given of the results from all field studies reported so f
Ground-state characterizations of systems predicted to exhibit L11 or L13 crystal structures
Nelson, Lance J.; Hart, Gus L. W.; Curtarolo, Stefano
2012-02-01
Despite their geometric simplicity, the crystal structures L11 (CuPt) and L13 (CdPt3) do not appear as ground states experimentally, except in Cu-Pt. We investigate the possibility that these phases are ground states in other binary intermetallic systems, but overlooked experimentally. Via the synergy between high-throughput and cluster-expansion computational methods, we conduct a thorough search for systems that may exhibit these phases and calculate order-disorder transition temperatures when they are predicted. High-throughput calculations predict L11 ground states in the systems Ag-Pd, Ag-Pt, Cu-Pt, Pd-Pt, Li-Pd, Li-Pt, and L13 ground states in the systems Cd-Pt, Cu-Pt, Pd-Pt, Li-Pd, Li-Pt. Cluster expansions confirm the appearance of these ground states in some cases. In the other cases, cluster expansion predicts unsuspected derivative superstructures as ground states. The order-disorder transition temperatures for all L11/L13 ground states were found to be sufficiently high that their physical manifestation may be possible.
Institute of Scientific and Technical Information of China (English)
冯东太; 丁世良; 王美山
2003-01-01
The highly excited vibrational states of asymmetric linear tetratomic molecules are studied in the framework of Lie algebra. By using symmetric group U1(4) U2(4) U3(4), we construct the Hamiltonian that includes not only Casimir operators but also Majorana operators M12,M13 and M23, which are useful for getting potential energy surface and force constants in Lie algebra method. By Lie algebra treatment, we obtain the eigenvalues of the Hamiltonian, and make the concrete calculation for molecule C2HF.
Integrating matrix solution of the hybrid state vector equations for beam vibration
Lehman, L. L.
1982-01-01
A simple, versatile, and efficient computational technique has been developed for dynamic analysis of linear elastic beam and rod type of structures. Moreover, the method provides a rather general solution approach for two-point boundary value problems that are described by a single independent spatial variable. For structural problems, the method is implemented by a mixed state vector formulation of the differential equations, combined with an integrating matrix solution procedure. Highly accurate solutions are easily achieved with this approach. Example solutions are given for beam vibration problems including discontinuous stiffness and mass parameters, elastic restraint boundary conditions, concentrated inertia loading, and rigid body modes
Quantum teleportation from light beams to vibrational states of a macroscopic diamond
Hou, Panyu; Huang, Yuanyuan; Yuan, Xinxing; Chang, Xiuying; Zu, Chong; He, Li; Duan, Luming; CenterQuantum Information, IIIS, Tsinghua University, Beijing 100084, PR China Team; Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, USA Team
2016-05-01
Quantum teleportation is an unusual disembodied form of quantum information transfer through pre-shared entanglement and classical communication, which has found important applications for realization of various quantum technologies. It is of both fundamental interest and practical importance to push quantum teleportation towards macroscopic objects. With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Built on the recent remarkable progress in optical control of motional states in diamond, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum state tomography, we demonstrate an average teleportation fidelity (90.6 +/- 1.0)%, exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for quantum foundational studies, optomechanical quantum control and quantum information science. Center for Quantum Information, IIIS, Tsinghua University.
Exact spin-cluster ground states in a mixed diamond chain
Takano, Ken'Ichi; Suzuki, Hidenori; Hida, Kazuo
2009-09-01
The mixed diamond chain is a frustrated Heisenberg chain composed of successive diamond-shaped units with two kinds of spins of magnitudes S and S/2 ( S : integer). Ratio λ of two exchange parameters controls the strength of frustration. With varying λ , the Haldane state and several spin-cluster states appear as the ground state. A spin-cluster state is a tensor product of exact local eigenstates of cluster spins. We prove that a spin-cluster state is the ground state in a finite interval of λ . For S=1 , we numerically determine the total phase diagram consisting of five phases.
Energy Technology Data Exchange (ETDEWEB)
Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.; Rodgers, M.A.J.
1981-12-16
Resonance Raman and electronic absorption spectra are reported for the S/sub 0/ and T/sub 1/ states of the carotenoids ..beta..-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C/sub 50/)-..beta..-carotene, ..beta..-apo-8'-carotenal, and ethyl ..beta..-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S/sub 0/ and T/sub 1/, regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S/sub 0/ and T/sub 1/ reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited state which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T/sub 1/ states of carotenoids and in the S/sub 1/ states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S/sub 1/ lifetime (of the /sup 1/B/sub u/ and/or the /sup 1/A/sub g/* states) of ..beta..-carotene in benzene is less than 1 ps.
Energy Technology Data Exchange (ETDEWEB)
Santhosh, K.P., E-mail: drkpsanthosh@gmail.co [School of Pure and Applied Physics, Kannur University, Payyanur Campus, Payyanur 670 327 (India); Sahadevan, Sabina; Joseph, Jayesh George [School of Pure and Applied Physics, Kannur University, Payyanur Campus, Payyanur 670 327 (India)
2011-01-15
Alpha half lives, branching ratios and hindrance factors of even-even nuclei in the range 78{<=}Z{<=}102 from ground state to ground state and ground state to excited states of daughter nuclei are computed using the Coulomb and proximity potential model for deformed nuclei (CPPMDN). The computed half life values and branching ratios are compared with experimental data and they are in good agreement. The standard deviation of half life and branching ratio are 0.79 and 0.94 respectively. It is found that the standard deviation of branching ratio for the ground state to ground state transition is only 0.25 and it increases as we move to the higher excited states which are due to the effect of nuclear structure. It is evident from the study that our ground state decay model is apt for describing not only the ground state to ground state decay but also decay to excited state.
Energy Technology Data Exchange (ETDEWEB)
Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Ratnavelu, K. [Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)
2015-05-21
We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15–250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.
A remark on ground state of boundary Izergin-Korepin model
Kojima, Takeo
2011-01-01
We study the ground state of the boundary Izergin-Korepin model. The boundary Izergin-Korepin model is defined by so-called $R$-matrix and $K$-matrix for $U_q(A_2^{(2)})$ which satisfy Yang-Baxter equation and boundary Yang-Baxter equation respectively. The ground state associated with identity $K$-matrix $K(z)=id$ was constructed in earlier study [Yang and Zhang, Nucl.Phys.B596,495-(2001)]. We construct the free field realization of the ground state associated with nontrivial diagonal $K$-matrix.
Characterization of ground state entanglement by single-qubit operations and excitation energies
Giampaolo, S M; Illuminati, F; Verrucchi, P; Giampaolo, Salvatore M.; Illuminati, Fabrizio; Siena, Silvio De; Verrucchi, Paola
2006-01-01
We consider single-qubit unitary operations and study the associated excitation energies above the ground state of interacting quantum spins. We prove that there exists a unique operation such that the vanishing of the corresponding excitation energy determines a necessary and sufficient condition for the separability of the ground state. We show that the energy difference associated to factorization exhibits a monotonic behavior with the one-tangle and the entropy of entanglement, including non analiticity at quantum critical points. The single-qubit excitation energy thus provides an independent, directly observable characterization of ground state entanglement, and a simple relation connecting two universal physical resources, energy and nonlocal quantum correlations.
Efficient sympathetic motional ground-state cooling of a molecular ion
Wan, Yong; Wolf, Fabian; Schmidt, Piet O
2015-01-01
Cold molecular ions are promising candidates in various fields ranging from precision spectroscopy and test of fundamental physics to ultra-cold chemistry. Control of internal and external degrees of freedom is a prerequisite for many of these applications. Motional ground state cooling represents the starting point for quantum logic-assisted internal state preparation, detection, and spectroscopy protocols. Robust and fast cooling is crucial to maximize the fraction of time available for the actual experiment. We optimize the cooling rate of ground state cooling schemes for single $^{25}\\mathrm{Mg}^{+}$ ions and sympathetic ground state cooling of $^{24}\\mathrm{MgH}^{+}$. In particular, we show that robust cooling is achieved by combining pulsed Raman sideband cooling with continuous quench cooling. Furthermore, we experimentally demonstrate an efficient strategy for ground state cooling outside the Lamb-Dicke regime.
Ground-state energies of the nonlinear sigma model and the Heisenberg spin chains
Zhang, Shoucheng; Schulz, H. J.; Ziman, Timothy
1989-01-01
A theorem on the O(3) nonlinear sigma model with the topological theta term is proved, which states that the ground-state energy at theta = pi is always higher than the ground-state energy at theta = 0, for the same value of the coupling constant g. Provided that the nonlinear sigma model gives the correct description for the Heisenberg spin chains in the large-s limit, this theorem makes a definite prediction relating the ground-state energies of the half-integer and the integer spin chains. The ground-state energies obtained from the exact Bethe ansatz solution for the spin-1/2 chain and the numerical diagonalization on the spin-1, spin-3/2, and spin-2 chains support this prediction.
Takano, K.; Ito, T.
2010-12-01
There are a lot of buildings which is not experienced severe earthquakes in urban area. In Hanshin-Awaji (Kobe) Earthquake, it was presumed that 80 percent or more of the person was dead immediately after the earthquake by building collapse. Also in Haiti, a lot of buildings deprived of the life of persons. In order to prevent the earthquake damage of urban area, it is the most effective to make the building earthquake-proof. However, there are still a lot of buildings not made earthquake-proof in Japan though 15 years passed since Kobe Earthquake. In order to promote making of the building earthquake-proof, various approaches such as visualization of seismic hazard, education of disaster prevention and legal system for promotion are needed. We have developed the IT Kyoshin(strong motion) Seismometer for Building which is the observation system of the usual weak earthquake ground motion by installing a lot of acceleration sensors in building, and have been setting it up in some buildings of the University of Tokyo. We have also developed the visualization tool that can reproduce the building vibration during earthquake from the observed data. By this tool, we can successfully show where is more shaking in the building or what is the feature of building vibration easily. Such information contributes to not only promotion of making building earthquake-proof but also promotion of disaster prevention action such as fixation of bookshelf, making the safety area in building, etc. In addition, we proposed a concrete technique of the health investigation of buildings by using weak earthquake ground motion. Because there are 20 to 30 felt earthquakes in year in Tokyo area, it is possible to observe these building vibrations by using weak earthquake ground motions. In addition, we have developed the high sensitive ITK sensor which can observe from the microtremor to the felt earthquake in the place without the felt earthquake either.
Georgescu, Ionuţ; Jitomirskaya, Svetlana; Mandelshtam, Vladimir A
2013-11-28
Given a quantum many-body system, the Self-Consistent Phonons (SCP) method provides an optimal harmonic approximation by minimizing the free energy. In particular, the SCP estimate for the vibrational ground state (zero temperature) appears to be surprisingly accurate. We explore the possibility of going beyond the SCP approximation by considering the system Hamiltonian evaluated in the harmonic eigenbasis of the SCP Hamiltonian. It appears that the SCP ground state is already uncoupled to all singly- and doubly-excited basis functions. So, in order to improve the SCP result at least triply-excited states must be included, which then reduces the error in the ground state estimate substantially. For a multidimensional system two numerical challenges arise, namely, evaluation of the potential energy matrix elements in the harmonic basis, and handling and diagonalizing the resulting Hamiltonian matrix, whose size grows rapidly with the dimensionality of the system. Using the example of water hexamer we demonstrate that such calculation is feasible, i.e., constructing and diagonalizing the Hamiltonian matrix in a triply-excited SCP basis, without any additional assumptions or approximations. Our results indicate particularly that the ground state energy differences between different isomers (e.g., cage and prism) of water hexamer are already quite accurate within the SCP approximation.
Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.
2012-04-01
The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.
Vibrational states on vicinal surfaces of Al, Ag, Cu and Pd
Sklyadneva, I. Yu.; Rusina, G. G.; Chulkov, E. V.
1998-10-01
We present the calculation of vibrational modes and lattice relaxation for the (110), (211), (311), (511), (331) and (221) surfaces of Al, Ag, Cu and Pd. The surface phonon frequencies and polarizations are obtained for relaxed and unrelaxed surfaces using embedded atom model potentials. On all surfaces studied step-localized vibrational modes and surface states localized on terrace atoms are found. It is shown that as the terrace width increases so does the number of surface phonons. It is found that interlayer relaxation leads to a shift in the frequencies of the surface states and to a change in the number and localization. In particular, it may cause the appearance or disappearance of step modes. It is shown that the character of relaxation on vicinal surfaces is determined by the number of atoms on a terrace. A comparison of the results with the available experimental data for the Al(221), Cu(211), and Cu(511) surfaces indicates that there is a good agreement with the experimental data.
A Rigorous Investigation on the Ground State of the Penson-Kolb Model
Institute of Scientific and Technical Information of China (English)
YANG Kai-Hua; TIAN Guang-Shan; HAN Ru-Qi
2003-01-01
By using either numerical calculations or analytical methods, such as the bosonization technique, the ground state of the Penson-Kolb model has been previously studied by several groups. Some physicists argued that, as far as the existence of superconductivity in this model is concerned, it is canonically equivalent to the negative-U Hubbard model.However, others did not agree. In the present paper, we shall investigate this model by an independent and rigorous approach. We show that the ground state of the Penson-Kolb model is nondegenerate and has a nonvanishing overlap with the ground state of the negative-U Hubbard model. Furthermore, we also show that the ground states of both the models have the same good quantum numbers and may have superconducting long-range order at the same momentum q ＝ 0. Our results support the equivalence between these models.
Bott periodicity for Z2 symmetric ground states of gapped free-fermion systems
Kennedy, Ricardo
2014-01-01
Building on the symmetry classification of disordered fermions, we give a proof of the proposal by Kitaev, and others, for a "Bott clock" topological classification of free-fermion ground states of gapped systems with symmetries. Our approach differs from previous ones in that (i) we work in the standard framework of Hermitian quantum mechanics over the complex numbers, (ii) we directly formulate a mathematical model for ground states rather than spectrally flattened Hamiltonians, and (iii) we use homotopy-theoretic tools rather than K-theory. Key to our proof is a natural transformation that squares to the standard Bott map and relates the ground state of a d-dimensional system in symmetry class s to the ground state of a (d+1)-dimensional system in symmetry class s+1. This relation gives a new vantage point on topological insulators and superconductors.
Exact ground-state phase diagrams for the spin-3/2 Blume Emery Griffiths model
Canko, Osman; Deviren, Bayram; Keskin, Mustafa
2008-05-01
We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and Jnon-uniform phases. We have also constructed the exact ground-state phase diagrams of the model on the triangular lattice and found 20 and 59 fundamental phase diagrams for J>0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found.
Vacuum polarization screening corrections to the ground state energy of two-electron ions
Artemiev, A N; Yerokhin, V A
1997-01-01
Vacuum polarization screening corrections to the ground state energy of two-electron ions are calculated in the range $Z=20-100$. The calculations are carried out for a finite nucleus charge distribution.
Precision study of ground state capture in the 14N(p,gamma)15O reaction
Marta, M; Gyurky, Gy; Bemmerer, D; Broggini, C; Caciolli, A; Corvisiero, P; Costantini, H; Elekes, Z; Fülöp, Z; Gervino, G; Guglielmetti, A; Gustavino, C; Imbriani, G; Junker, M; Kunz, R; Lemut, A; Limata, B; Mazzocchi, C; Menegazzo, R; Prati, P; Roca, V; Rolfs, C; Romano, M; Alvarez, C Rossi; Somorjai, E; Straniero, O; Strieder, F; Terrasi, F; Trautvetter, H P; Vomiero, A
2008-01-01
The rate of the hydrogen-burning carbon-nitrogen-oxygen (CNO) cycle is controlled by the slowest process, 14N(p,gamma)15O, which proceeds by capture to the ground and several excited states in 15O. Previous extrapolations for the ground state contribution disagreed by a factor 2, corresponding to 15% uncertainty in the total astrophysical S-factor. At the Laboratory for Underground Nuclear Astrophysics (LUNA) 400 kV accelerator placed deep underground in the Gran Sasso facility in Italy, a new experiment on ground state capture has been carried out at 317.8, 334.4, and 353.3 keV center-of-mass energy. Systematic corrections have been reduced considerably with respect to previous studies by using a Clover detector and by adopting a relative analysis. The previous discrepancy has been resolved, and ground state capture no longer dominates the uncertainty of the total S-factor.
Shape vibrations and quasiparticle excitations in the lowest 0+ excited state of the Erbium isotopes
Chen, Fang-Qi
2016-01-01
The ground and first excited 0+ states of the {156-172}Er isotopes are analyzed in the framework of the generator coordinate method. The shape parameter beta is used to generate wave functions with different deformations which together with the two-quasiparticle states built on them provide a set of states. An angular momentum and particle number projection of the latter spawn the basis states of the generator coordinate method. With this ansatz and using the separable pairing plus quadrupole interaction we obtain a good agreement with the experimental spectra and E2 transition rates up to moderate spin values. The structure of the wave functions suggests that the first excited 0+ states in the soft Er isotopes are dominated by shape fluctuations, while in the well deformed Er isotopes the two-quasiparticle states are more relevant. In between both degrees of freedom are necessary .
Towards {sup 6}Li-{sup 40}K ground state molecules
Energy Technology Data Exchange (ETDEWEB)
Brachmann, Johannes Felix Simon
2013-02-08
The production of a quantum gas with strong long - range dipolar interactions is a major scientific goal in the research field of ultracold gases. In their ro - vibrational ground state Li-K dimers possess a large permanent dipole moment, which could possibly be exploited for the realization of such a quantum gas. A production of these molecules can be achieved by the association of Li and K at a Feshbach resonance, followed by a coherent state transfer. In this thesis, detailed theoretical an experimental preparations to achieve state transfer by means of Stimulated Raman Adiabatic Passage (STIRAP) are described. The theoretical preparations focus on the selection of an electronically excited molecular state that is suitable for STIRAP transfer. In this context, molecular transition dipole moments for both transitions involved in STIRAP transfer are predicted for the first time. This is achieved by the calculation of Franck-Condon factors and a determination of the state in which the {sup 6}Li-{sup 40}K Feshbach molecules are produced. The calculations show that state transfer by use of a single STIRAP sequence is experimentally very well feasible. Further, the optical wavelengths that are needed to address the selected states are calculated. The high accuracy of the data will allow to carry out the molecular spectroscopy in a fast and efficient manner. Further, only a comparatively narrow wavelength tuneability of the spectroscopy lasers is needed. The most suitable Feshbach resonance for the production of {sup 6}Li-{sup 40}K molecules at experimentally manageable magnetic field strengths is occurring at 155 G. Experimentally, this resonance is investigated by means of cross-dimensional relaxation. The application of the technique at various magnetic field strengths in the vicinity of the 155 G Feshbach resonance allows a determination of the resonance position and width with so far unreached precision. This reveals the production of molecules on the atomic side
Systematic vibration thermodynamic properties of bromine
Liu, G. Y.; Sun, W. G.; Liao, B. T.
2015-11-01
Based on the analysis of the maturity and finiteness of vibrational levels of bromine molecule in ground state and evaluating the effect on statistical computation, according to the elementary principles of quantum statistical theorem, using the full set of bromine molecular vibrational levels determined with algebra method, the statistical contribution for bromine systematical macroscopic thermodynamic properties is discussed. Thermodynamic state functions Helmholtz free energy, entropy and observable vibration heat capacity are calculated. The results show that the determination of full set of vibrational levels and maximum vibrational quantum number is the key in the correct statistical analysis of bromine systematical thermodynamic property. Algebra method results are clearly different from data of simple harmonic oscillator and the related algebra method results are no longer analytical but numerical and are superior to simple harmonic oscillator results. Compared with simple harmonic oscillator's heat capacities, the algebra method's heat capacities are more consistent with the experimental data in the given temperature range of 600-2100 K.
DEFF Research Database (Denmark)
Bucinskas, Paulius; Andersen, Lars Vabbersgaard; Persson, Kent
2016-01-01
Construction of high speed railway lines has been an increasing trend in recent years. Countries like Denmark and Sweden plan to expand and upgrade their railways to accommodate high-speed traffic. To benefit from the full potential of the reduced commuting times, these lines must pass through...... densely populated urban areas with the collateral effect of increased noise and vibrations levels. This paper aims to quantify the vibrations levels in the area surrounding an elevated railway line built as a multi-span bridge structure. The proposed model employs finite-element analysis to model...
Ground-state entanglement in a three-spin transverse Ising model with energy current
Institute of Scientific and Technical Information of China (English)
Zhang Yong; Liu Dan; Long Gui-Lu
2007-01-01
The ground-state entanglement associated with a three-spin transverse Ising model is studied. By introducing an energy current into the system, a quantum phase transition to energy-current phase may be presented with the variation of external magnetic field; and the ground-state entanglement varies suddenly at the critical point of quantum phase transition. In our model, the introduction of energy current makes the entanglement between any two qubits become maximally robust.
Expectation values of single-particle operators in the random phase approximation ground state.
Kosov, D S
2017-02-07
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived a practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calculation of molecular dipole moments for a set of representative molecules.
Ground-State Density Profiles of One-Dimensional Bose Gases with Anisotropic Transversal Confinement
Institute of Scientific and Technical Information of China (English)
HAO Ya-Jiang
2011-01-01
We investigate the ground-state density distributions of interacting one-dimensional Bose gases with anisotropic transversal confinement.Combining the exact ground state energy density of homogeneous bose gases with local density approximation,we determine the density distribution in each interacting regime for different anisotropic parameters.It is shown that the transversal anisotropic parameter changes the density distribution obviously,and the observed density profiles on each orientation exhibit a difference of a factor.
Hyperfine splitting of the dressed hydrogen atom ground state in non-relativistic QED
Amour, L
2010-01-01
We consider a spin-1/2 electron and a spin-1/2 nucleus interacting with the quantized electromagnetic field in the standard model of non-relativistic QED. For a fixed total momentum sufficiently small, we study the multiplicity of the ground state of the reduced Hamiltonian. We prove that the coupling between the spins of the charged particles and the electromagnetic field splits the degeneracy of the ground state.
Hyperfine splitting in non-relativistic QED: uniqueness of the dressed hydrogen atom ground state
Amour, Laurent
2011-01-01
We consider a free hydrogen atom composed of a spin-1/2 nucleus and a spin-1/2 electron in the standard model of non-relativistic QED. We study the Pauli-Fierz Hamiltonian associated with this system at a fixed total momentum. For small enough values of the fine-structure constant, we prove that the ground state is unique. This result reflects the hyperfine structure of the hydrogen atom ground state.
Universal Wave Function Overlap and Universal Topological Data from Generic Gapped Ground States
2014-01-01
We propose a way -- universal wave function overlap -- to extract universal topological data from generic ground states of gapped systems in any dimensions. Those extracted topological data should fully characterize the topological orders with gapped or gapless boundary. For non-chiral topological orders in 2+1D, this universal topological data consist of two matrices, $S$ and $T$, which generate a projective representation of $SL(2,\\mathbb Z)$ on the degenerate ground state Hilbert space on ...
Institute of Scientific and Technical Information of China (English)
WU Feng; HE Pei; CHEN Zu-Yao; JIANG Wan-Quan
2000-01-01
The effect of the shape of suspension particle in electrorheological (ER) fluid on the ground state structure of ER solid is discussed. The results of computation show that the ground state structure will change with the shape of suspension particle. This phenomenon is a kind of phase transitions that takes the shape factors of suspension particle as tuning parameters. The variation-value of interaction energy of the lattice structure of ER solid with the shape factors of suspension particle is sometimes noticeable.
Expectation values of single-particle operators in the random phase approximation ground state
Kosov, D. S.
2017-02-01
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived a practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calculation of molecular dipole moments for a set of representative molecules.
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
The density functional theory (DFT) provides us an effective way to calculate large cluster systems with moderate computational demands. We calculate potential energy surfaces (PES) with several different approaches of DFT. The PES in the ground electronic state are related to HCP's isomerization process. The calculated PES are compared with the “experimental” PES obtained by fitting from the experimental vibrational spectra and that given by the “accurate” quantum chemistry calculation with more expensive computations. The comparisons show that the potential surfaces calculated with DFT methods can reach the accuracy of less than 0.1 eV.
Patterns of the ground states in the presence of random interactions: nucleon systems
Zhao, Y M; Shimizu, N; Ogawa, K; Yoshinaga, N; Scholten, O
2004-01-01
We present our results on properties of ground states for nucleonic systems in the presence of random two-body interactions. In particular we present probability distributions for parity, seniority, spectroscopic (i.e., in the laboratory framework) quadrupole moments and $\\alpha$ clustering in the ground states. We find that the probability distribution for the parity of the ground states obtained by a two-body random ensemble simulates that of realistic nuclei: positive parity is dominant in the ground states of even-even nuclei while for odd-odd nuclei and odd-mass nuclei we obtain with almost equal probability ground states with positive and negative parity. In addition we find that for the ground states, assuming pure random interactions, low seniority is not favored, no dominance of positive values of spectroscopic quadrupole deformation, and no sign of $\\alpha$-cluster correlations, all in sharp contrast to realistic nuclei. Considering a mixture of a random and a realistic interaction, we observe a sec...
Ground-State Phases of Anisotropic Mixed Diamond Chains with Spins 1 and 1/2
Hida, Kazuo
2014-11-01
The ground-state phases of anisotropic mixed diamond chains with spins 1 and 1/2 are investigated. Both single-site and exchange anisotropies are considered. We find the phases consisting of an array of uncorrelated spin-1 clusters separated by singlet dimers. Except in the simplest case where the cluster consists of a single S = 1 spin, this type of ground state breaks the translational symmetry spontaneously. Although the mechanism leading to this type of ground state is the same as that in the isotropic case, it is nonmagnetic or paramagnetic depending on the competition between two types of anisotropy. We also find the Néel, period-doubled Néel, Haldane, and large-D phases, where the ground state is a single spin cluster of infinite size equivalent to the spin-1 Heisenberg chain with alternating anisotropies. The ground-state phase diagrams are determined for typical sets of parameters by numerical analysis. In various limiting cases, the ground-state phase diagrams are determined analytically. The low-temperature behaviors of magnetic susceptibility and entropy are investigated to distinguish each phase by observable quantities. The relationship of the present model with the anisotropic rung-alternating ladder with spin-1/2 is also discussed.
Institute of Scientific and Technical Information of China (English)
Wang Jian-Kun; Wu Zhen-Sen
2008-01-01
This paper calculates the equilibrium structure and the potential energy functions of the ground state (X2∑+) and the low lying excited electronic state (A2∏) of CN radical are calculated by using CASSCF method. The potential energy curves are obtained by a least square fitting to the modified Murrell-Sorbie function. On the basis of physical theory of potential energy function, harmonic frequency (ωe) and other spectroscopic constants (ωeχe, βe and αe) are calculated by employing the Rydberg-Klein-Rees method. The theoretical calculation results are in excellent agreement with the experimental and other complicated theoretical calculation data. In addition, the eigenvalues of vibrational levels have been calculated by solving the radial one-dimensional Schrodinger equation of nuclear motion using the algebraic method based on the analytical potential energy function.
Janczur, R.
2016-09-01
The results of road tests of car VW Passat equipped with tires of size 195/65 R15, on the influence of the unbalancing front wheel on vibration of the parts of steering system, steering wheel and the body of the vehicle have been presented in this paper. Unbalances wheels made using weights of different masses, placed close to the outer edge of the steel rim and checked on the machine Hunter GSP 9700 for balancing wheels. The recorded waveforms vibration steering components and car body, at different constant driving speeds, subjected to spectral analysis to determine the possibility of isolating vibration caused by unbalanced wheel in various states and coming from good quality asphalt road surface. The results were discussed in terms of the possibility of identifying the state of unbalancing wheels and possible changes in radial stiffness of the tire vibration transmitted through the system driving wheel on the steering wheel. Vibration analysis steering components and car body, also in the longitudinal direction, including information from the CAN bus of the state of motion of the car, can be used to monitor the development of the state of unbalance wheel, tire damage or errors shape of brake discs or brake drums, causing pulsations braking forces.
Strategy for predicting railway-induced vibrations in buildings
DEFF Research Database (Denmark)
Persson, Peter; Persson, Kent; Andersen, Lars Vabbersgaard;
2016-01-01
for predicting vibrations in nearby buildings in an early stage of the building process. The strategy is based on that there is a fairly good knowledge of the properties of the ground and that some on-site vibration measurements are made. By combining these with finite-element analysis, the vibration level......Urban densification is a way of accommodating population growth. Land adjacent to railways is used for constructing residences and other buildings, and new tramway systems are planned. Under these circumstances, nearby buildings will be exposed to vibrations and noise that may become a nuisance...... for the residents. It is necessary, even at an early stage of planning, to assess the extent of the vibrations and state requirements for the building in order to avoid costly changes at later stages. Ground vibration induced by railway traffic is studied in the paper. The aim is to develop a strategy...
Institute of Scientific and Technical Information of China (English)
REN; Weiyi; SUN; Weiguo; HOU; Shilin; FENG; Hao
2005-01-01
It is usually very difficult to directly obtain molecular dissociation energy De and all accurate high-lying vibrational energies for most diatomic electronic states using modern experimental techniques or quantum theories, and it is also very difficult to give accurate analytical expression for diatomic molecular dissociation energy. This study proposes a new analytical formula for obtaining accurate molecular dissociation energy based on the LeRoy and Bernstein's energy expression in dissociation limit. A set of full vibrational energy spectra for some electronic states of N2 molecule are studied using the algebraic method (AM) suggested recently, and the corresponding accurate molecular dissociation energies are evaluated using the proposed new formula and high-lying AM vibrational energies. The results show that the AM spectra and the new theoretical dissociation energies agree excellently with experimental data, and thereby providing a new physical approach to generating accurate dissociation energies for electronic states of diatomic molecules.
An ANN-based approach to predict blast-induced ground vibration of Gol-E-Gohar iron ore mine, Iran
Institute of Scientific and Technical Information of China (English)
Mahdi Saadat; Manoj Khandelwal; M. Monjezi
2014-01-01
Blast-induced ground vibration is one of the inevitable outcomes of blasting in mining projects and may cause substantial damage to rock mass as well as nearby structures and human beings. In this paper, an attempt has been made to present an application of artificial neural network (ANN) to predict the blast-induced ground vibration of the Gol-E-Gohar (GEG) iron mine, Iran. A four-layer feed-forward back propagation multi-layer perceptron (MLP) was used and trained with Levenberg-Marquardt algorithm. To construct ANN models, the maximum charge per delay, distance from blasting face to monitoring point, stemming and hole depth were taken as inputs, whereas peak particle velocity (PPV) was considered as an output parameter. A database consisting of 69 data sets recorded at strategic and vulnerable locations of GEG iron mine was used to train and test the generalization capability of ANN models. Coefficient of determination (R2) and mean square error (MSE) were chosen as the indicators of the performance of the networks. A network with architecture 4-11-5-1 and R2 of 0.957 and MSE of 0.000722 was found to be optimum. To demonstrate the supremacy of ANN approach, the same 69 data sets were used for the prediction of PPV with four common empirical models as well as multiple linear regression (MLR) analysis. The results revealed that the proposed ANN approach performs better than empirical and MLR models.
An ANN-based approach to predict blast-induced ground vibration of Gol-E-Gohar iron ore mine, Iran
Directory of Open Access Journals (Sweden)
Mahdi Saadat
2014-02-01
Full Text Available Blast-induced ground vibration is one of the inevitable outcomes of blasting in mining projects and may cause substantial damage to rock mass as well as nearby structures and human beings. In this paper, an attempt has been made to present an application of artificial neural network (ANN to predict the blast-induced ground vibration of the Gol-E-Gohar (GEG iron mine, Iran. A four-layer feed-forward back propagation multi-layer perceptron (MLP was used and trained with Levenberg–Marquardt algorithm. To construct ANN models, the maximum charge per delay, distance from blasting face to monitoring point, stemming and hole depth were taken as inputs, whereas peak particle velocity (PPV was considered as an output parameter. A database consisting of 69 data sets recorded at strategic and vulnerable locations of GEG iron mine was used to train and test the generalization capability of ANN models. Coefficient of determination (R2 and mean square error (MSE were chosen as the indicators of the performance of the networks. A network with architecture 4-11-5-1 and R2 of 0.957 and MSE of 0.000722 was found to be optimum. To demonstrate the supremacy of ANN approach, the same 69 data sets were used for the prediction of PPV with four common empirical models as well as multiple linear regression (MLR analysis. The results revealed that the proposed ANN approach performs better than empirical and MLR models.
Vibrationally specific photoionization cross sections of acrolein leading to the X̃²A' ionic state.
López-Domínguez, Jesús A; Lucchese, Robert R; Fulfer, K D; Hardy, David; Poliakoff, E D; Aguilar, A A
2014-09-07
The vibrational branching ratios in the photoionization of acrolein for ionization leading to the X̃²A' ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν9, ν10, ν11, and ν12) were found to be in relatively good agreement, particularly for the lower half of the 11-100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A' scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry.
Hydrogen vibrational density of states of adsorbed water on rare-earth modified zirconia
Energy Technology Data Exchange (ETDEWEB)
Loong, C.K.; Iton, L.E. [Argonne National Lab., IL (United States); Ozawa, Masakuni [Nagoya Institute of Technology, Gifu (Japan)
1994-07-20
Rare-earth (RE) doped ZrO{sub 2} prepared by a method of coprecipitation from aqueous solution shows many properties such as good thermal stability and large surface area ({approximately}80 m{sup 2}/g) that are suitable for use as catalyst supports and sorbents for a variety of molecules. The authors have measured the vibrational densities of states of surface hydroxyl groups as well as physisorbed water molecules in La{sub 0.1}Zr{sub 0.9}O{sub 1.95} and Nd{sub 0.1}Zr{sub 0.9}O{sub 1.95} by inelastic neutron scattering. The spectrum of dry RE-ZrO{sub 2} exhibits a peak at about 455 meV characteristic of the O-H stretch vibrations of surface hydroxyl groups. At a submonolayer coverage of H{sub 2}O this peak broadens and shifts to a slightly lower energy. At higher coverage three bands, corresponding to the O-H stretch ({approximately}430 meV), H-O-H bend ({approximately}200 meV) and librational motion ({approximately}80 meV), were observed. The decreasing energy and larger width of the OH stretch band with increasing H{sub 2}O coverage indicate the influence of hydrogen bonding on the motion of water molecules.
Alpha decay of {sup 184-224}Bi isotopes from the ground state and isomeric state
Energy Technology Data Exchange (ETDEWEB)
Santhosh, K.P.; Priyanka, B. [Kannur University, School of Pure and Applied Physics, Kerala (India)
2013-12-15
The {alpha} -decay half-lives for the favored and unfavored transitions of the isotopes of Bi (Z = 83) nuclei in the region 184 {<=}A {<=} 224, from both the ground state (g.s.) and the isomeric state (i.s.) have been studied systematically within the Coulomb and proximity potential model (CPPM). The half-lives have been evaluated using the experimental Q-values. The computed half-lives are compared with the experimental data and they are in good agreement. We have modified the assault frequency and redetermined the half-lives and they show a better agreement with the experimental value. The standard deviation of the logarithm of the half-life with the former assault frequency is found to be 1.234 and with the modified assault frequency, it is found to be 0.935. This reveals that the CPPM, with the modified deformation-dependent assault frequency is more apt for the alpha-decay studies. Using our model we could also demonstrate the influence of the N = 126, neutron shell closure in both parent and daughter nuclei on the alpha-decay half-lives. (orig.)
Ordered ground states of metallic hydrogen and deuterium
Ashcroft, N. W.
1981-01-01
The physical attributes of some of the more physically distinct ordered states of metallic hydrogen and metallic deuterium at T = 0 and nearby are discussed. The likelihood of superconductivity in both is considered with respect to the usual coupling via the density fluctuations of the ions.
Delin, Geoffrey N.; Risser, Dennis W.
2007-01-01
Increased demands on water resources by a growing population and recent droughts have raised awareness about the adequacy of ground-water resources in humid areas of the United States. The spatial and temporal variability of ground-water recharge are key factors that need to be quantified to determine the sustainability of ground-water resources. Ground-water recharge is defined herein as the entry into the saturated zone of water made available at the water-table surface, together with the associated flow away from the water table within the saturated zone (Freeze and Cherry, 1979). In response to the need for better estimates of ground-water recharge, the Ground-Water Resources Program (GWRP) of the U.S. Geological Survey (USGS) began an initiative in 2003 to estimate ground-water recharge rates in the relatively humid areas of the United States.
Bandyopadhyay, Subhajit; Roy, Saswata
2014-01-01
This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…
Bandyopadhyay, Subhajit; Roy, Saswata
2014-01-01
This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…
Degenerate ground states and multiple bifurcations in a two-dimensional q-state quantum Potts model.
Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T; Zhou, Huan-Qiang
2014-06-01
We numerically investigate the two-dimensional q-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect q-fold degenerate ground states for the Z_{q} broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the Z_{q} subgroup of the symmetry group of the Hamiltonian. We find that the q-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for q=3 and q=4 and a continuous phase transition for q=2 (the two-dimensional quantum transverse Ising model).
Cis-trans isomerization in the S1 state of acetylene: identification of cis-well vibrational levels.
Merer, Anthony J; Steeves, Adam H; Baraban, Joshua H; Bechtel, Hans A; Field, Robert W
2011-06-28
A systematic analysis of the S(1)-trans (Ã(1)A(u)) state of acetylene, using IR-UV double resonance along with one-photon fluorescence excitation spectra, has allowed assignment of at least part of every single vibrational state or polyad up to a vibrational energy of 4200 cm(-1). Four observed vibrational levels remain unassigned, for which no place can be found in the level structure of the trans-well. The most prominent of these lies at 46 175 cm(-1). Its (13)C isotope shift, exceptionally long radiative lifetime, unexpected rotational selection rules, and lack of significant Zeeman effect, combined with the fact that no other singlet electronic states are expected at this energy, indicate that it is a vibrational level of the S(1)-cis isomer (Ã(1)A(2)). Guided by ab initio calculations [J. H. Baraban, A. R. Beck, A. H. Steeves, J. F. Stanton, and R. W. Field, J. Chem. Phys. 134, 244311 (2011)] of the cis-well vibrational frequencies, the vibrational assignments of these four levels can be established from their vibrational symmetries together with the (13)C isotope shift of the 46 175 cm(-1) level (assigned here as cis-3(1)6(1)). The S(1)-cis zero-point level is deduced to lie near 44 900 cm(-1), and the ν(6) vibrational frequency of the S(1)-cis well is found to be roughly 565 cm(-1); these values are in remarkably good agreement with the results of recent ab initio calculations. The 46 175 cm(-1) vibrational level is found to have a 3.9 cm(-1) staggering of its K-rotational structure as a result of quantum mechanical tunneling through the isomerization barrier. Such tunneling does not give rise to ammonia-type inversion doubling, because the cis and trans isomers are not equivalent; instead the odd-K rotational levels of a given vibrational level are systematically shifted relative to the even-K rotational levels, leading to a staggering of the K-structure. These various observations represent the first definite assignment of an isomer of
Faye, M.; Boudon, V.; Loëte, M.; Roy, P.; Manceron, L.
2017-03-01
Sulfur hexafluoride is an important prototypal molecule for modeling highly excited vibrational energy flow and multi quanta absorption processes in hexafluoride molecules of technological importance. It is also a strong greenhouse gas of anthropogenic origin. This heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v6=1 vibrational state. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 120 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectra of the 2ν1 +ν3 , ν1 +ν2 +ν3 , ν1 +ν3 , ν2 +ν3 , 3ν3, ν2 + 3ν3 and ν1 + 3ν3 from 2000 to 4000 cm-1 near-infrared region has been recorded. Low temperature was used to limit the presence of hot bands. The spectrum has been analyzed thanks to the XTDS software package. Combining with previously observed weak difference bands in the far infrared region involving the v1, v2, v3=1 states, we are thus able to use the tensorial model to build a global fit of spectroscopic parameters for v1=1,2, v2=1, v3=1,2,3. The model constitutes a consistent set of molecular parameters and enable spectral rovibrational simulation for all multi-quanta transitions involving v1, v2 and v3 up to v1-3 = 3 . Tests simulation on rovibrational transitions not yet rovibrationally assigned are presented and compared to new experimental data.
Tillman, Fred D; Leake, Stanley A.; Flynn, Marilyn E.; Cordova, Jeffrey T.; Schonauer, Kurt T.; Dickinson, Jesse E.
2008-01-01
Monitoring the status and trends in the availability of the Nation's ground-water supplies is important to scientists, planners, water managers, and the general public. This is especially true in the semiarid to arid southwestern United States where rapid population growth and limited surface-water resources have led to increased use of ground-water supplies and water-level declines of several hundred feet in many aquifers. Individual well observations may only represent aquifer conditions in a limited area, and wells may be screened over single or multiple aquifers, further complicating single-well interpretations. Additionally, changes in ground-water conditions may involve time scales ranging from days to many decades, depending on the timing of recharge, soil and aquifer properties, and depth to the water table. The lack of an easily identifiable ground-water property indicative of current conditions, combined with differing time scales of water-level changes, makes the presentation of ground-water conditions a difficult task, particularly on a regional basis. One approach is to spatially present several indicators of ground-water conditions that address different time scales and attributes of the aquifer systems. This report describes several methods and indicators for presenting differing aspects of ground-water conditions using water-level observations in existing data-sets. The indicators of ground-water conditions developed in this study include areas experiencing water-level decline and water-level rise, recent trends in ground-water levels, and current depth to ground water. The computer programs written to create these indicators of ground-water conditions and display them in an interactive geographic information systems (GIS) format are explained and results illustrated through analyses of ground-water conditions for selected alluvial basins in the Lower Colorado River Basin in Arizona.
Mansour, N A
2003-01-01
The results from the cubic polynomial (CP) formula of the square of the angular velocity and the nuclear moments of inertia are compared with those from the variable moment of inertia (VMI) model and the available experimental information on transition energies for yrast line in even-even nuclei. The evaluated model parameters lead to an excellent fit for all energy levels ( I approx 24). The calculated critical spin for backbending in the zeta - omega sup 2 plot is found to be in agreement with the experimental data. (author)
Mandrà, Salvatore; Zhu, Zheng; Katzgraber, Helmut G.
2017-02-01
We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated with a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009), 10.1088/1367-2630/11/7/073021]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.
Stephens, D. G.
1975-01-01
Measured vibration and interior noise data are presented for a number of air and surface vehicles. Consideration is given to the importance of direction effects; of vehicle operations such as take-off, cruise, and landing; and of measurement location on the level and frequency of the measurements. Various physical measurement units or descriptors are used to quantify and compare the data. Results suggest the range of vibration and noise associated with a particular mode of transportation and illustrate the comparative levels in terms of each of the descriptors. Collectively, the results form a data base which may be useful in assessing the ride of existing or future systems relative to vehicles in current operation.
Vibration control in accelerators
Energy Technology Data Exchange (ETDEWEB)
Montag, C.
2011-01-01
In the vast majority of accelerator applications, ground vibration amplitudes are well below tolerable magnet jitter amplitudes. In these cases, it is necessary and sufficient to design a rigid magnet support structure that does not amplify ground vibration. Since accelerator beam lines are typically installed at an elevation of 1-2m above ground level, special care has to be taken in order to avoid designing a support structure that acts like an inverted pendulum with a low resonance frequency, resulting in untolerable lateral vibration amplitudes of the accelerator components when excited by either ambient ground motion or vibration sources within the accelerator itself, such as cooling water pumps or helium flow in superconducting magnets. In cases where ground motion amplitudes already exceed the required jiter tolerances, for instance in future linear colliders, passive vibration damping or active stabilization may be considered.
Collisional deactivation of highly vibrationally excited pyrazine
Miller, Laurie A.; Barker, John R.
1996-07-01
The collisional deactivation of vibrationally excited pyrazine (C4N2H4) in the electronic ground state by 19 collider gases was studied using the time-resolved infrared fluorescence (IRF) technique. The pyrazine was photoexcited with a 308 nm laser and its vibrational deactivation was monitored following rapid radiationless transitions to produce vibrationally excited molecules in the electronic ground state. The IRF data were analyzed by a simple approximate inversion method, as well as with full collisional master equation simulations. The average energies transferred in deactivating collisions (d) exhibit a near-linear dependence on vibrational energy at lower energies and less dependence at higher energies. The deactivation of ground state pyrazine was found to be similar to that of ground state benzene [J. R. Barker and B. M. Toselli, Int. Rev. Phys. Chem. 12, 305 (1990)], but it is strikingly different from the deactivation of triplet state pyrazine [T. J. Bevilacqua and R. B. Weisman, J. Chem. Phys. 98, 6316 (1993)].
Ground State Transitions in Vertically Coupled Four-Layer Single Electron Quantum Dots
Institute of Scientific and Technical Information of China (English)
WANGAn-Mei; XIEWen-Fang
2005-01-01
We study a four-electron system in a vertically coupled four-layer quantum dot under a magnetic field by the exact diagonalization of the Hamiltonian matr/x. We find that discontinuous ground-state energy transitions are induced by an external magnetic field. We find that dot-dot distance and electron-electron interaction strongly affect the low-lying states of the coupled quantum dots. The inter-dot correlation leads to some sequences of possible disappearances of ground state transitions, which are present for uncoupled dots.
Ground State Transitions in Vertically Coupled Four-Layer Single Electron Quantum Dots
Institute of Scientific and Technical Information of China (English)
WANG An-Mei; XIE Wen-Fang
2005-01-01
We study a four-electron system in a vertically coupled four-layer quantum dot under a magnetic field by the exact diagonalization of the Hamiltonian matrix. We find that discontinuous ground-state energy transitions are induced by an external magnetic field. We find that dot-dot distance and electron-electron interaction strongly affect the low-lying states of the coupled quantum dots. The inter-dot correlation leads to some sequences of possible disappearances of ground state transitions, which are present for uncoupled dots.
Vacuum polarization in the ground states of bi-muonic helium atoms
Frolov, Alexei M.
2004-11-01
The energies and bound-state properties of the bi-muonic helium-3 and helium-4 atoms in their ground 11(S = 0)-states are determined to very high accuracy. It is shown that the lowest order QED (and relativistic) effects play a significantly larger role in the case of bi-muonic 3Heμ2 and 4Heμ2 atoms than in the two-electron He-atoms. In particular, the effect of vacuum polarization and corresponding energy shifts for the ground 11(S = 0)-states in the bi-muonic helium-3 and helium-4 atoms have been evaluated.
Spin-Orbit Coupling Controlled J =3 /2 Electronic Ground State in 5 d3 Oxides
Taylor, A. E.; Calder, S.; Morrow, R.; Feng, H. L.; Upton, M. H.; Lumsden, M. D.; Yamaura, K.; Woodward, P. M.; Christianson, A. D.
2017-05-01
Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum and topological physical states. Here we report resonant inelastic x-ray scattering measurements of the transition metal oxides Ca3 LiOsO6 and Ba2 YOsO6 , which reveals a dramatic spitting of the t2 g manifold. We invoke an intermediate coupling approach that incorporates both spin-orbit coupling and electron-electron interactions on an even footing and reveal that the ground state of 5 d3-based compounds, which has remained elusive in previously applied models, is a novel spin-orbit entangled J =3 /2 electronic ground state. This work reveals the hidden diversity of spin-orbit controlled ground states in 5 d systems and introduces a new arena in the search for spin-orbit controlled phases of matter.
Exact many-electron ground states on the diamond Hubbard chain
Gulacsi, Zsolt; Kampf, Arno; Vollhardt, Dieter
2008-03-01
Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as flat-band ferromagnetism, correlation induced metallic, half-metallic, or insulating behavior [1]. The properties of these ground states can be tuned by changing the magnetic flux, local potentials, or electron density.The results show that the studied simple one-dimensional structure displays remarkably complex physical properties. The virtue of tuning different ground states through external parameters points to new possibilities for the design of electronic devices which can switch between insulating or conducting and nonmagnetic or (fully or partially spin polarized) ferromagnetic states, open new routes for the design of spin-valve devices and gate induced ferromagnetism. [1] Z. Gulacsi, A. Kampf, D. Vollhardt, Phys. Rev. Lett. 99, 026404(2007).
Chambers, Jeffrey A.
1994-01-01
Finite element analysis is regularly used during the engineering cycle of mechanical systems to predict the response to static, thermal, and dynamic loads. The finite element model (FEM) used to represent the system is often correlated with physical test results to determine the validity of analytical results provided. Results from dynamic testing provide one means for performing this correlation. One of the most common methods of measuring accuracy is by classical modal testing, whereby vibratory mode shapes are compared to mode shapes provided by finite element analysis. The degree of correlation between the test and analytical mode shapes can be shown mathematically using the cross orthogonality check. A great deal of time and effort can be exhausted in generating the set of test acquired mode shapes needed for the cross orthogonality check. In most situations response data from vibration tests are digitally processed to generate the mode shapes from a combination of modal parameters, forcing functions, and recorded response data. An alternate method is proposed in which the same correlation of analytical and test acquired mode shapes can be achieved without conducting the modal survey. Instead a procedure is detailed in which a minimum of test information, specifically the acceleration response data from a random vibration test, is used to generate a set of equivalent local accelerations to be applied to the reduced analytical model at discrete points corresponding to the test measurement locations. The static solution of the analytical model then produces a set of deformations that once normalized can be used to represent the test acquired mode shapes in the cross orthogonality relation. The method proposed has been shown to provide accurate results for both a simple analytical model as well as a complex space flight structure.
Ground-state energy of the q-state Potts model: The minimum modularity.
Lee, J S; Hwang, S; Yeo, J; Kim, D; Kahng, B
2014-11-01
A wide range of interacting systems can be described by complex networks. A common feature of such networks is that they consist of several communities or modules, the degree of which may quantified as the modularity. However, even a random uncorrelated network, which has no obvious modular structure, has a finite modularity due to the quenched disorder. For this reason, the modularity of a given network is meaningful only when it is compared with that of a randomized network with the same degree distribution. In this context, it is important to calculate the modularity of a random uncorrelated network with an arbitrary degree distribution. The modularity of a random network has been calculated [Reichardt and Bornholdt, Phys. Rev. E 76, 015102 (2007)PLEEE81539-375510.1103/PhysRevE.76.015102]; however, this was limited to the case whereby the network was assumed to have only two communities, and it is evident that the modularity should be calculated in general with q(≥2) communities. Here we calculate the modularity for q communities by evaluating the ground-state energy of the q-state Potts Hamiltonian, based on replica symmetric solutions assuming that the mean degree is large. We found that the modularity is proportional to 〈sqrt[k]〉/〈k〉 regardless of q and that only the coefficient depends on q. In particular, when the degree distribution follows a power law, the modularity is proportional to 〈k〉^{-1/2}. Our analytical results are confirmed by comparison with numerical simulations. Therefore, our results can be used as reference values for real-world networks.
Democratic Republic of Congo A Fertile Ground for Instability in the Great Lakes Region States
2017-06-09
DEMOCRATIC REPUBLIC OF CONGO-A FERTILE GROUND FOR INSTABILITY IN THE GREAT LAKES REGION STATES A thesis presented to the Faculty of...From - To) AUG 2016 – JUNE 2017 4. TITLE AND SUBTITLE Democratic Republic of Congo-A Fertile Ground for Instability in the Great Lakes Region ...caused instability and chaos in the eastern provinces of the Congo, known as the Great Lakes Region . The DRC holds a strategic geographical position
Trachsel, Maria A.; Wiedmer, Timo; Blaser, Susan; Frey, Hans-Martin; Li, Quansong; Ruiz-Barragan, Sergi; Blancafort, Lluís; Leutwyler, Samuel
2016-10-01
We have investigated the S0 → S1 UV vibronic spectrum and time-resolved S1 state dynamics of jet-cooled amino-keto 1-methylcytosine (1MCyt) using two-color resonant two-photon ionization, UV/UV holeburning and depletion spectroscopies, as well as nanosecond and picosecond time-resolved pump/delayed ionization measurements. The experimental study is complemented with spin-component-scaled second-order coupled-cluster and multistate complete active space second order perturbation ab initio calculations. Above the weak electronic origin of 1MCyt at 31 852 cm-1 about 20 intense vibronic bands are observed. These are interpreted as methyl group torsional transitions coupled to out-of-plane ring vibrations, in agreement with the methyl group rotation and out-of-plane distortions upon 1ππ∗ excitation predicted by the calculations. The methyl torsion and ν1 ' (butterfly) vibrations are strongly coupled, in the S1 state. The S0 → S1 vibronic spectrum breaks off at a vibrational excess energy Eexc ˜ 500 cm-1, indicating that a barrier in front of the ethylene-type S1⇝S0 conical intersection is exceeded, which is calculated to lie at Eexc = 366 cm-1. The S1⇝S0 internal conversion rate constant increases from kIC = 2 ṡ 109 s-1 near the S1(v = 0) level to 1 ṡ 1011 s-1 at Eexc = 516 cm-1. The 1ππ∗ state of 1MCyt also relaxes into the lower-lying triplet T1 (3ππ∗) state by intersystem crossing (ISC); the calculated spin-orbit coupling (SOC) value is 2.4 cm-1. The ISC rate constant is 10-100 times lower than kIC; it increases from kISC = 2 ṡ 108 s-1 near S1(v = 0) to kISC = 2 ṡ 109 s-1 at Eexc = 516 cm-1. The T1 state energy is determined from the onset of the time-delayed photoionization efficiency curve as 25 600 ± 500 cm-1. The T2 (3nπ∗) state lies >1500 cm-1 above S1(v = 0), so S1⇝T2 ISC cannot occur, despite the large SOC parameter of 10.6 cm-1. An upper limit to the adiabatic ionization energy of 1MCyt is determined as 8.41 ± 0.02 e
Search for the two-phonon octupole vibrational state in {sup 208}Pb
Energy Technology Data Exchange (ETDEWEB)
Blumenthal, D.J.; Henning, W.; Janssens, R.V.F. [and others
1995-08-01
We performed an experiment to search for the two-phonon octupole vibrational state in {sup 208}Pb. Thick targets of {sup 208}Pb, {sup 209}Bi, {sup 58,64}Ni, and {sup 160}Gd were bombarded with 1305 MeV beams of were bombard {sup 208}Pb supplied by ATLAS. Gamma rays were detected using the Argonne-Notre Dame BGO gamma-ray facility, consisting of 12 Compton-suppressed germanium detectors surrounding an array of 50 BGO scintillators. We identified some 30 known gamma rays from {sup 208}Pb in the spectra gated by the 5{sup -} {yields} 3{sup -} and 3{sup -} {yields} 0{sup +} transitions in {sup 208}Pb. In addition, after unfolding these spectra for Compton response, we observed broad coincident structures in the energy region expected for the 2-phonon states. Furthermore, we confirmed the placement of a 2485 keV line observed previously in {sup 207}Pb and find no evidence consistent with the placement of this line in {sup 208}Pb. We are currently in the process of investigating the origin of the broadened lines observed in the spectra, extracting the excitation probability of states in {sup 208}Pb, and determining the relative probability of mutual excitation and neutron transfer in this reaction. An additional experiment is also being performed to collect much higher statistics germanium-germanium coincidence data for the thick {sup 208}Pb target.
Chiral extrapolations and strangeness in the baryon ground states
Lutz, Matthias F M
2013-01-01
We review the quark-mass dependence of the baryon octet and decuplet masses as obtained from recent lattice simulations of the BMW, PACS-CS, LHPC, HSC and QCDSF-UKQCD groups. Our discussion relies on the relativistic chiral Lagrangian and large-$N_c$ sum rule estimates of the counter terms relevant for the baryon masses at N$^3$LO. A partial summation is implied by the use of physical baryon and meson masses in the one-loop contributions to the baryon self energies. In our analysis the physical masses are reproduced exactly by means of a suitable set of linear constraints. A quantitative and simultaneous description of all lattice results is achieved in terms of a six parameter fit, where the symmetry conserving counter term that are relevant at N$^3$LO are not yet being used. For pion masses larger than 300 MeV there appears to be an approximate linear pion-mass dependence of all octet and decuplet baryon masses. We discuss the pion- and strangeness sigma terms of the baryon octet states.
Decay Rate Measurement of the First Vibrationally Excited State of MgH+ in a Cryogenic Paul Trap
DEFF Research Database (Denmark)
Versolato, O.O.; Schwarz, M.; Hansen, A.K.
2013-01-01
We present a method to measure the decay rate of the first excited vibrational state of polar molecular ions that are part of a Coulomb crystal in a cryogenic linear Paul trap. Specifically, we have monitored the decay of the |ν=1,J=1⟩X towards the |ν=0,J=0⟩X level in MgH+ by saturated laser...