8,662 research outputs found
Orbital-Free Density Functional Theory: Kinetic Potentials and Ab-Initio Local Pseudopotentials
In the density functional (DF) theory of Kohn and Sham, the kinetic energy of
the ground state of a system of noninteracting electrons in a general external
field is calculated using a set of orbitals. Orbital free methods attempt to
calculate this directly from the electron density by approximating the
universal but unknown kinetic energy density functional. However simple local
approximations are inaccurate and it has proved very difficult to devise
generally accurate nonlocal approximations. We focus instead on the kinetic
potential, the functional derivative of the kinetic energy DF, which appears in
the Euler equation for the electron density. We argue that the kinetic
potential is more local and more amenable to simple physically motivated
approximations in many relevant cases, and describe two pathways by which the
value of the kinetic energy can be efficiently calculated. We propose two
nonlocal orbital free kinetic potentials that reduce to known exact forms for
both slowly varying and rapidly varying perturbations and also reproduce exact
results for the linear response of the density of the homogeneous system to
small perturbations. A simple and systematic approach for generating accurate
and weak ab-initio local pseudopotentials which produce a smooth slowly varying
valence component of the electron density is proposed for use in orbital free
DF calculations of molecules and solids. The use of these local
pseudopotentials further minimizes the possible errors from the kinetic
potentials. Our theory yields results for the total energies and ionization
energies of atoms, and for the shell structure in the atomic radial density
profiles that are in very good agreement with calculations using the full
Kohn-Sham theory.Comment: To be published in Phys. Rev.
Mice lacking C1q or C3 show accelerated rejection of minor H disparate skin grafts and resistance to induction of tolerance
Complement activation is known to have deleterious effects on organ transplantation. On the other hand, the complement system is also known to have an important role in regulating immune responses. The balance between these two opposing effects is critical in the context of transplantation. Here, we report that female mice deficient in C1q (C1qa(−/−)) or C3 (C3(−/−)) reject male syngeneic grafts (HY incompatible) at an accelerated rate compared with WT mice. Intranasal HY peptide administration, which induces tolerance to syngeneic male grafts in WT mice, fails to induce tolerance in C1qa(−/−) or C3(−/−) mice. The rejection of the male grafts correlated with the presence of HY D(b)Uty-specific CD8(+) T cells. Consistent with this, peptide-treated C1qa(−/−) and C3(−/−) female mice rejecting male grafts exhibited more antigen-specific CD8(+)IFN-γ(+) and CD8(+)IL-10(+) cells compared with WT females. This suggests that accumulation of IFN-γ- and IL-10-producing T cells may play a key role in mediating the ongoing inflammatory process and graft rejection. Interestingly, within the tolerized male skin grafts of peptide-treated WT mice, IFN-γ, C1q and C3 mRNA levels were higher compared to control female grafts. These results suggest that C1q and C3 facilitate the induction of intranasal tolerance
Application of bifurcation methods for the prediction of low-speed aircraft ground performance
The design of aircraft for ground maneuvers is an essential part in satisfying the demanding requirements of the aircraft operators. Extensive analysis is done to ensure that a new civil aircraft type will adhere to these requirements, for which the nonlinear nature of the problem generally adds to the complexity of such calculations. Small perturbations in velocity, steering angle, or brake application may lead to significant differences in the final turn widths that can be achieved. Here, the U-turn maneuver is analyzed in detail, with a comparison between the two ways in which this maneuver is conducted. A comparison is also made between existing turn-width prediction methods that consist mainly of geometric methods and simulations and a proposed new method that uses dynamical systems theory. Some assumptions are made with regard to the transient behavior, for which it is shown that these assumptions are conservative when an upper bound is chosen for the transient distance. Furthermore, we demonstrate that the results from the dynamical systems analysis are sufficiently close to the results from simulations to be used as a valuable design tool. Overall, dynamical systems methods provide an order-of-magnitude increase in analysis speed and capability for the prediction of turn widths on the ground when compared with simulations. Nomenclature co = oleo damping coefficient, N s2 =m2 cz = tire vertical damping coefficient Fco = damping force in oleo due to the orifice,
Insights into ALS pathomechanisms:from flies to humans
Amyotrophic Lateral Sclerosis (ALS) is a devastating neurodegenerative disease causing the death of motor neurons with consequent muscle atrophy and paralysis. Several neurodegenerative diseases have been modeled in Drosophila and genetic studies on this model organism led to the elucidation of crucial aspects of disease mechanisms. ALS, however, has lagged somewhat behind possibly because of the lack of a suitable genetic model. We were the first to develop a fly model for ALS and over the last few years, we have implemented and used this model for a large scale, unbiased modifier screen. We also report an extensive bioinformatic analysis of the genetic modifiers and we show that most of them are associated in a network of interacting genes controlling known as well as novel cellular processes involved in ALS pathogenesis. A similar analysis for the human homologues of the Drosophila modifiers and the validation of a subset of them in human tissues confirm and expand the significance of the data for the human disease. Finally, we analyze a possible application of the model in the process of therapeutic discovery in ALS and we discuss the importance of novel “non-obvious” models for the disease
DR-Cache: Distributed Resilient Caching with Latency Guarantees
The dominant application in today’s Internet is content streaming, which is increasingly relying on caches to meet the stringent conditions on the latency between content servers and end-users. These systems routinely face the challenges of limited bandwidth capacities and network server failures, which degrade caching performance. In this paper, we study the problem of optimally allocating content over a resilient caching network, in which each cache may fail under some situations. Given content request rates and multiple routing paths, we formulate an optimization problem to maximize the expected caching gain, i.e., the reduction of latency due to intermediate caching. The offline version of this problem is NP-hard. We first propose a centralized, offline algorithm and show that a solution with (1-1/e) approximation ratio to the optimal can be constructed. We then propose a distributed ascent algorithm based on the concave relaxation of the expected gain. Informed by the results of our analysis, we finally propose a distributed resilient caching algorithm (DR-Cache) that is simple and adaptive to network failures. We show numerically that DR-Cache significantly outperforms other candidate algorithms under synthetic requests, as well as real world traces over a class of network topologies
Closing the gap: Pre-service teachers' perceptions of an ICT based, student centred learning curriculum
As technology continues to influence many aspects of our social and work lives, it is important that school experiences equip students the skills and knowledge that will enable them to develop into effective independent, creative, and lifelong learners to cope with the influx of changes. Given that teachers play a key role in the effective use of technology in education, there is a need to ensure that teacher education programs prepare teachers for the effective integration of ICT in the classrooms. We believe that there is a need to adopt a student-centered learning framework to design our ICT based Student-Centred Learning (SCL) curriculum for all pre-service teachers. In this paper, we presents parts of the findings from a curriculum review which evaluated 483 pre-service teachers' overall satisfaction level towards an ICT based SCL course. We also provide some recommendations to the ICT curriculum based on the results found. © 2007 Chwee Beng Lee, Timothy Teo, Ching Sing Chai, Doris Choy, Ashley Tan and Jimmy Seah
The SHER-HIAF Ring Lattice Design
Super Heavy Experimental Ring (SHER) is one of the rings of the next
accelerator complex High Intensity Heavy Ion Accelerator Facility (HIAF) at
IMP[4]. Here, present ideas of the lattice design for the operation of the
large acceptance ring are presented. The SHER ring has to be optimized for
e-cooling and the lattice is designed for different modes. First of all, it is
designed in the so called isochronous mode as time-of-flight mass spectrometer
for short-lived secondary nuclei. Secondly, SHER can also be used to be a
storage ring for collecting and cooling the secondary rare isotope beams from
the transport line. In order to fulfil it's purpose, the ion optics can be set
to different ion optical modes
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