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  • ATOMIC AND MOLECULAR PHYSICS  (5)
  • Glazialgeologie  (3)
  • Interdisciplinary physics  (3)
  • 1
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    Local dynamics of a randomly pinned crack front during creep and forced propagation: An experimental study (2011)
    American Physical Society (APS)
    Details
    Publikationsdatum: 2011-04-15
    Beschreibung: Author(s): Ken Tore Tallakstad, Renaud Toussaint, Stephane Santucci, Jean Schmittbuhl, and Knut Jørgen Måløy We have studied the propagation of a crack front along the heterogeneous weak plane of a transparent poly(methyl methacrylate) (PMMA) block using two different loading conditions: imposed constant velocity and creep relaxation. We have focused on the intermittent local dynamics of the fracture front... [Phys. Rev. E 83, 046108] Published Thu Apr 14, 2011
    Schlagwort(e): Interdisciplinary physics
    Print ISSN: 1539-3755
    Digitale ISSN: 1550-2376
    Thema: Physik
    Publiziert von American Physical Society (APS)
    Standort Signatur Erwartet Verfügbarkeit
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  • 2
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    Average crack-front velocity during subcritical fracture propagation in a heterogeneous medium (2011)
    American Physical Society (APS)
    Details
    Publikationsdatum: 2011-09-10
    Beschreibung: Author(s): Olivier Lengliné, Renaud Toussaint, Jean Schmittbuhl, Jean E. Elkhoury, J. P. Ampuero, Ken Tore Tallakstad, Stéphane Santucci, and Knut Jørgen Måløy We study the average velocity of crack fronts during stable interfacial fracture experiments in a heterogeneous quasibrittle material under constant loading rates and during long relaxation tests. The transparency of the material (polymethylmethacrylate) allows continuous tracking of the front posit... [Phys. Rev. E 84, 036104] Published Fri Sep 09, 2011
    Schlagwort(e): Interdisciplinary physics
    Print ISSN: 1539-3755
    Digitale ISSN: 1550-2376
    Thema: Physik
    Publiziert von American Physical Society (APS)
    Standort Signatur Erwartet Verfügbarkeit
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  • 3
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    Onset of localization in heterogeneous interfacial failure (2012)
    American Physical Society (APS)
    Details
    Publikationsdatum: 2012-08-11
    Beschreibung: Author(s): Arne Stormo, Knut Skogstrand Gjerden, and Alex Hansen We study numerically the failure of an interface joining two elastic materials under load using a fiber bundle model connected to an elastic half space. We find that the breakdown process follows the equal load sharing fiber bundle model without any detectable spatial correlations between the positi... [Phys. Rev. E 86, 025101] Published Fri Aug 10, 2012
    Schlagwort(e): Interdisciplinary physics
    Print ISSN: 1539-3755
    Digitale ISSN: 1550-2376
    Thema: Physik
    Publiziert von American Physical Society (APS)
    Standort Signatur Erwartet Verfügbarkeit
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  • 4
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    Heteronuclear transition metal diatomics - The bonding and electronic structure of ScNi, YNi, ScPd, and YPd (1991)
    In:  Other Sources
    Details
    Publikationsdatum: 2011-08-24
    Beschreibung: High quality ab initio calculations show that ScNi, YNi, ScPd, and YPd all have 2Sigma(+) ground states in agreement with electron spin resonance experiments. For ScNi and YNi, this is expected based on the lowest atomic asymptote. For ScPd and YPd, the lowest atomic asymptote would give the order of stability 2Delta greater than 2Pi equal to about 2Sigma(+), but the calculations show that mixing in of the excited asymptotes preferentially lowers the 2Sigma(+) state. The calculations show that the quartet states are about 20-30 kcal/mol above the ground state, and therefore probably do not contribute significantly to the unexpected g(vertical) values found in experiment. Calculations of excited states for YPd reveal some strong transitions that should be amenable to spectroscopic studies.
    Schlagwort(e): ATOMIC AND MOLECULAR PHYSICS
    Materialart: Chemical Physics (ISSN 0301-0104); 153; 399-408
    Format: text
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  • 5
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    Polyatomic molecular Dirac-Hartree-Fock calculations with Gaussian basis sets (1990)
    In:  CASI
    Details
    Publikationsdatum: 2019-06-28
    Beschreibung: Numerical methods have been used successfully in atomic Dirac-Hartree-Fock (DHF) calculations for many years. Some DHF calculations using numerical methods have been done on diatomic molecules, but while these serve a useful purpose for calibration, the computational effort in extending this approach to polyatomic molecules is prohibitive. An alternative more in line with traditional quantum chemistry is to use an analytical basis set expansion of the wave function. This approach fell into disrepute in the early 1980's due to problems with variational collapse and intruder states, but has recently been put on firm theoretical foundations. In particular, the problems of variational collapse are well understood, and prescriptions for avoiding the most serious failures have been developed. Consequently, it is now possible to develop reliable molecular programs using basis set methods. This paper describes such a program and reports results of test calculations to demonstrate the convergence and stability of the method.
    Schlagwort(e): ATOMIC AND MOLECULAR PHYSICS
    Materialart: NASA-CR-187854 , NAS 1.26:187854
    Format: application/pdf
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  • 6
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    Finite nucleus effects on relativistic energy corrections (1993)
    In:  Other Sources
    Details
    Publikationsdatum: 2019-07-13
    Beschreibung: The effect of using a finite nucleus model in quantum-chemical calculations is examined. Relativistic corrections from the first order Foldy-Wouthuysen terms are affected indirectly by the change in wavefunction, but also directly as a result of revised expressions for the Darwin and spin-orbit terms due to the change in nuclear potential. A calculation for the Rn atom indicates that the mass-velocity and Darwin corrections are much more sensitive to the finite nucleus than the non-relativistic total energy, but that the total contribution for these two terms is quite stable provided the revised form of the Darwin term is used. The spin-orbit interaction is not greatly affected by the choice of nuclear model.
    Schlagwort(e): ATOMIC AND MOLECULAR PHYSICS
    Materialart: Chemical Physics Letters (ISSN 0009-2614); 201; 4-Jan; p. 27-32.
    Format: text
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    NASA TECHNICAL REPORTS
  • 7
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    All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4 (1991)
    In:  Other Sources
    Details
    Publikationsdatum: 2019-07-12
    Beschreibung: A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but none of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.
    Schlagwort(e): ATOMIC AND MOLECULAR PHYSICS
    Materialart: Journal of Chemical Physics (ISSN 0021-9606); 95; 2583-259
    Format: text
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    NASA TECHNICAL REPORTS
  • 8
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    Kinetic balance and variational bounds failure in the solution of the Dirac equation in a finite Gaussian basis set (1990)
    In:  Other Sources
    Details
    Publikationsdatum: 2019-07-12
    Beschreibung: The paper investigates bounds failure in calculations using Gaussian basis sets for the solution of the one-electron Dirac equation for the 2p1/2 state of Hg(79+). It is shown that bounds failure indicates inadequacies in the basis set, both in terms of the exponent range and the number of functions. It is also shown that overrepresentation of the small component space may lead to unphysical results. It is concluded that it is important to use matched large and small component basis sets with an adequate size and exponent range.
    Schlagwort(e): ATOMIC AND MOLECULAR PHYSICS
    Materialart: Chemical Physics Letters (ISSN 0009-2614); 174; 25-32
    Format: text
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  • 9
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    Die „Riesenhirschfundstelle" von Endingen: geowissenschaftliche und archäologische Untersuchungen an einem spätglazialen Fundplatz in Vorpommern (2011)
    Geozon Science Media
    Details
    Publikationsdatum: 2021-03-29
    Beschreibung: Vorgestellt werden Neuuntersuchungen an einem 1899 beim Sandabbau entdeckten spätglazialen Fundplatz im Kr. Nordvorpommern. Die z. T. Bearbeitungsspuren aufweisenden Knochenartefakte stammen zum größten Teil vom Elch, je einmal sind Riesenhirsch und Pferd vertreten. Lithische Artefakte sind nicht überliefert. Der in das frühe Alleröd datierende Elchjägerplatz Endingen VI repräsentiert den ältesten absolut datierten Nachweis einer menschlichen Besiedlung in Nordostdeutschland. Die Fundschicht selbst ist offenbar vollständig zerstört worden. Unmittelbar benachbarte Profile weisen eine Abfolge basaler Geschiebemergel, fluvialer Sand des Pleniglazials, spätglaziale Silikatmudde und fluvialer Sand der Jüngeren Dryas auf. Ein Pollendiagramm aus der Silikatmudde zeigt eine Palynostratigraphie vom „Bölling" (neu: „Hippophaë-Phase") bis zum mittleren Alleröd. Die Sedimentbildung und die Vegetationsentwicklung am Fundplatz werden erläutert sowie spätglaziale Nachweise des Riesenhirsches im nördlichen Mitteleuropa diskutiert.
    Beschreibung: research
    Schlagwort(e): 551.7 ; VAR 000 ; Glazialgeologie ; vorpommern ; alleröd ; sedimentation ; elk ; giant deer ; palynostratigraphy ; northeastern germany ; bölling
    Sprache: Deutsch
    Materialart: article , publishedVersion
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    CITATION GEO-LEO
  • 10
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    Late Weichselian landscape development and human settlement in Mecklenburg-Vorpommern (NE Germany) (2011)
    Geozon Science Media
    Details
    Publikationsdatum: 2021-03-29
    Beschreibung: research
    Schlagwort(e): 551.7 ; VAR 000 ; Glazialgeologie ; palaeoecology ; human settlement ; late weichselian ; ne germany ; landscape development
    Sprache: Englisch
    Materialart: article , publishedVersion
    Standort Signatur Erwartet Verfügbarkeit
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    CITATION GEO-LEO
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