422 research outputs found
Configuration management for Lyee software
This article presents a configuration management concept for software projects using Lyee methodology. To illustrate this concept, an introduction in configuration management is given. Then, the structure of Lyee programs is defined by sets and their dependencies. From this structure, the actual configuration management concept is deduced and discussed by rendering the structure for an existing configuration
management testbed and describing the involved key players as well as the necessary procedures
Electronic polarization in pentacene crystals and thin films
Electronic polarization is evaluated in pentacene crystals and in thin films
on a metallic substrate using a self-consistent method for computing charge
redistribution in non-overlapping molecules. The optical dielectric constant
and its principal axes are reported for a neutral crystal. The polarization
energies P+ and P- of a cation and anion at infinite separation are found for
both molecules in the crystal's unit cell in the bulk, at the surface, and at
the organic-metal interface of a film of N molecular layers. We find that a
single pentacene layer with herring-bone packing provides a screening
environment approaching the bulk. The polarization contribution to the
transport gap P=(P+)+(P-), which is 2.01 eV in the bulk, decreases and
increases by only ~ 10% at surfaces and interfaces, respectively. We also
compute the polarization energy of charge-transfer (CT) states with fixed
separation between anion and cation, and compare to electroabsorption data and
to submolecular calculations. Electronic polarization of ~ 1 eV per charge has
a major role for transport in organic molecular systems with limited overlap.Comment: 10 revtex pages, 6 PS figures embedde
Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
Here, we review the basic concepts and applications of the
phase-field-crystal (PFC) method, which is one of the latest simulation
methodologies in materials science for problems, where atomic- and microscales
are tightly coupled. The PFC method operates on atomic length and diffusive
time scales, and thus constitutes a computationally efficient alternative to
molecular simulation methods. Its intense development in materials science
started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88
(2002), p. 245701]. Since these initial studies, dynamical density functional
theory and thermodynamic concepts have been linked to the PFC approach to serve
as further theoretical fundaments for the latter. In this review, we summarize
these methodological development steps as well as the most important
applications of the PFC method with a special focus on the interaction of
development steps taken in hard and soft matter physics, respectively. Doing
so, we hope to present today's state of the art in PFC modelling as well as the
potential, which might still arise from this method in physics and materials
science in the nearby future.Comment: 95 pages, 48 figure
Topological Defects in Nematic Droplets of Hard Spherocylinders
Using computer simulations we investigate the microscopic structure of the
singular director field within a nematic droplet. As a theoretical model for
nematic liquid crystals we take hard spherocylinders. To induce an overall
topological charge, the particles are either confined to a two-dimensional
circular cavity with homeotropic boundary or to the surface of a
three-dimensional sphere. Both systems exhibit half-integer topological point
defects. The isotropic defect core has a radius of the order of one particle
length and is surrounded by free-standing density oscillations. The effective
interaction between two defects is investigated. All results should be
experimentally observable in thin sheets of colloidal liquid crystals.Comment: 13 pages, 16 figures, Phys. Rev.
Treosulfan-fludarabine-thiotepa-based conditioning treatment before allogeneic hematopoietic stem cell transplantation for pediatric patients with hematological malignancies
Treosulfan-based conditioning prior to allogeneic transplantation has been shown to have myeloablative, immunosuppressive, and antineoplastic effects associated with reduced non-relapse mortality (NRM) in adults. Therefore, we prospectively evaluated the safety and efficacy of treosulfan-based conditioning in children with hematological malignancies in this phase II trial. Overall, 65 children with acute lymphoblastic leukemia (35.4%), acute myeloid leukemia (44.6%), myelodysplastic syndrome (15.4%), or juvenile myelomonocytic leukemia (4.6%) received treosulfan intravenously at a dose of 10 mg/m2/day (7.7%), 12 g/m2/day (35.4%), or 14 g/m2/day (56.9%) according to their individual body surface area in combination with fludarabine and thiotepa. The incidence of complete donor chimerism at day +28 was 98.4% with no primary and only one secondary graft failure. At 36 months, NRM was only 3.1%, while relapse incidence was 21.7%, and overall survival was 83.0%. The cumulative incidence of acute graft-vs.-host disease was 45.3% for grades I–IV and 26.6% for grades II–IV. At 36 months, 25.8% overall and 19.4% moderate/severe chronic graft-vs.-host disease were reported. These data confirm the safe and effective use of treosulfan-based conditioning in pediatric patients with hematological malignancies. Therefore, treosulfan/fludarabine/thiotepa can be recommended for myeloablative conditioning in children with hematological malignancies
Measurement of negative particle multiplicity in S - Pb collisions at 200 GeV/c per nucleon with the NA36 TPC
A high statistics study of the negative multiplicity distribution from S-Pb collisions at 200 GeV/c per nucleon is presented. The NA36 TPC was used to detect charged particles; corrections are based upon the maximum entropy method.A high statistics study of the negative multiplicity distribution from S-Pb collisions at 200 GeV/c per nucleon is presented. The NA36 TPC was used to detect charged particles; corrections are based upon the maximum entropy method.A high statistics study of the negative particle multiplicity distribution from S–Pb collisions at 200 GeV/ c per nucleon is presented. The NA36 TPC was used to detect charged particles; corrections are based upon the maximum entropy method
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