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Preprint
Balanced Viscosity solutions to a rate-independent system for damage
(2017-05-02)
This article is the third one in a series of papers by the authors on vanishing-viscosity solutions to rate-independent damage systems. While in the first two papers [KRZ13, KRZ15] the assumptions on the spatial domain $\Omega$ were kept as general as possible (i.e. nonsmooth domain with mixed boundary conditions), we assume here that $\partial\Omega$ is smooth and that the type of boundary conditions does not change. This smoother setting allows us to derive enhanced regularity spatial properties both for the ...
Aufsatz
Ionization potentials and radii of atoms and ions of element 104 (unnilquadium) and of hafnium (2+) derived from multiconfiguration Dirac-Fock calculations
(1990)
Multiconfiguration relativistic Dirac-Fock (MCDF) values have been computed for the first four ionization potentials (IPs) of element 104 (unnilquadium) and of the other group 4 elements (Ti, Zr, and Hf). Factors were calculated that allowed correction of the systematic errors between the MCDF IPs and the experimental IPs. Single "experimental" IPs evaluated in eV (to ± 0.1 eV) for element 104 are: [104(0),6.5]; [104( 1 + ),14.8]; [104(2 + ),23.8]; [104(3 + ),31.9]. Multiple experimental IPs evaluated in eV for element ...
Aufsatz
Ionization potentials and radii of atoms and ions of element 105 (unnilpentium) and ions of tantalum derived from multiconfiguration Dirac-Fock calculations
(1993)
Multiconfiguration relativistic Dirac-Fock (MCDF) values were calculated for the first five ionization potentials of element 105 (unnilpentium) and of the other group 5b elements (V, Nb, and Ta). Some of these ionization potentials in electron volts (eV) with uncertainties are: 105(0), 7.4±0.4; 105(1 +), 16.3 ±0.2; 105(2 +), 24.3 ± 0.2; 105(3 + ), 34.9 ± 0.5; and 105(4 + ), 44.9 ± 0.1. Ionization potentials for Ta(1+), Ta(2 +), and Ta(3 + ) were also calculated. Accurate experimental values for these ionization ...
Aufsatz
Prediction of some thermodynamic properties of selected compounds of element 104
(1991)
A set of parametrized equations has been published by Bratsch and Lagowski for calculating thermodynamic properties of the lanthanides, actinides, element 104, and certainrelated elements. Since these equations were applied to element 104, new values for the first four ionization energies and radii of the ions of charge +1, +2, +3, and +4 have been calculated for this element. The parametrized equations are used here with these new values to calculate some thermodynamic properties of element 104.
Aufsatz
Application of inclusive probability theory to heavy ion-atom collisions
(1992)
Using the independent particle model as our basis we present a scheme to reduce the complexity and computational effort to calculate inclusive probabilities in many-electron collision system. As an example we present an application to K - K charge transfer in collisions of 2.6 MeV Ne{^9+} on Ne. We are able to give impact parameter-dependent probabilities for many-particle states which could lead to KLL-Auger electrons after collision and we compare with experimental values.
Aufsatz
Electronic structure calculations of small AI_n (n = 2 - 8) clusters
(1992)
The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra.
Aufsatz
Retardation effects in ion-ion collisons [collisions]
(1978)
The modification of the two center screened electronic Coulomb potential due to relativistic kinematical effects is investigated in the Coulomb gauge. Both nuclear and electronic charges were approximated by Gaussian distributions. For ion velocities v/c =0.1 the effect may roughly be approximated by a 0.1% increase in the effective strength for the monopole term of the two center potential. Thus for ion kinetic energies not exceeding a few MeV/nucleon this relativistic contribution induces small effects on the binding ...
Aufsatz
Two-photon decay of the 1s2s ^1S_0 state in _36Kr^34+ produced by resonant transfer and excitation
(1991)
The doubly excited 2s2p ^1P_1 level of Kr^{34+} populated via resonant transfer and excitation (RTE) feeds selectively the metastable ls2s ^1 S_0 state which can only decay via simultaneous emission of two photons to the ground state 1s^2 ^1 S_0. X-ray/X-ray coincidence measurements in heavy ionatom collisions enable the direct measurement of the spectral distribution of the two-photon decay in He-like ions. In addition, we observe strong photon cascades indueed by radiative electron capture.
Dissertation
A semi-phenomenological approach to the structure and transport properties of macromolecules in solution
(2006-08-03)
Motiviert durch die Lebenswissenschaften (Life sciences) haben sich Untersuchungen zur Dynamik von Makromolekülen in Lösungen in den vergangenen Jahren zu einem zukunftsweisenden Forschungsgebiet etabliert, dessen Anwendungen von der Biophysik über die physikalische Chemie bis hin zu den Materialwissenschaften reichen. Neben zahlreichen experimentellen Forschungsprogrammen zur räumlichen Struktur und den Transporteigenschaften grosser MolekÄule, wie sie heute praktisch an allen (Synchrotron-) Strahlungsquellen ...
Dissertation
Strukturelle und funktionelle Charakterisierung des Dnmt2-Homologs DnmA von Dictyostelium discoideum
(2016-04-08)
In dieser Arbeit wurde die DNA Methyltransferase 2 aus Dictyostelium discoideum strukturell und funktionell untersucht. Sie vermittelt die Methylierung des Cytosin an Position 38 nahe des Anticodons der tRNAAsp (Goll et al., 2006; Müller et al., 2013). Jedoch ist die biologische Funktion dieser Methylierung bis heute nicht hinreichend geklärt.
In der Vergangenheit konnten erhebliche Unterschiede in der in vivo- und in vitro-Methylierungsaktivität von DnmA, dem Dnmt2-Homolog aus D. discoideum, beobachtet werden. So ...