9,692 research outputs found
Dynamic rotor mode in antiferromagnetic nanoparticles
We present experimental, numerical, and theoretical evidence for a new mode
of antiferromagnetic dynamics in nanoparticles. Elastic neutron scattering
experiments on 8 nm particles of hematite display a loss of diffraction
intensity with temperature, the intensity vanishing around 150 K. However, the
signal from inelastic neutron scattering remains above that temperature,
indicating a magnetic system in constant motion. In addition, the precession
frequency of the inelastic magnetic signal shows an increase above 100 K.
Numerical Langevin simulations of spin dynamics reproduce all measured neutron
data and reveal that thermally activated spin canting gives rise to a new type
of coherent magnetic precession mode. This "rotor" mode can be seen as a
high-temperature version of superparamagnetism and is driven by exchange
interactions between the two magnetic sublattices. The frequency of the rotor
mode behaves in fair agreement with a simple analytical model, based on a high
temperature approximation of the generally accepted Hamiltonian of the system.
The extracted model parameters, as the magnetic interaction and the axial
anisotropy, are in excellent agreement with results from Mossbauer
spectroscopy
Partly Occupied Wannier Functions
We introduce a scheme for constructing partly occupied, maximally localized
Wannier functions (WFs) for both molecular and periodic systems. Compared to
the traditional occupied WFs the partly occupied WFs posses improved symmetry
and localization properties achieved through a bonding-antibonding closing
procedure. We demonstrate the equivalence between bonding-antibonding closure
and the minimization of the average spread of the WFs in the case of a benzene
molecule and a linear chain of Pt atoms. The general applicability of the
method is demonstrated through the calculation of WFs for a metallic system
with an impurity: a Pt wire with a hydrogen molecular bridge.Comment: 5 pages, 4 figure
Exact enumeration of Hamiltonian circuits, walks, and chains in two and three dimensions
We present an algorithm for enumerating exactly the number of Hamiltonian
chains on regular lattices in low dimensions. By definition, these are sets of
k disjoint paths whose union visits each lattice vertex exactly once. The
well-known Hamiltonian circuits and walks appear as the special cases k=0 and
k=1 respectively. In two dimensions, we enumerate chains on L x L square
lattices up to L=12, walks up to L=17, and circuits up to L=20. Some results
for three dimensions are also given. Using our data we extract several
quantities of physical interest
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Thiourea-Catalyzed Enantioselective Iso-Pictet-Spengler Reactions
A one-pot condensation of isotryptamines and aldehydes that affords enantiomerically enriched 4-substituted tetrahydro--carbolines is reported. The reaction is induced by a chiral thiourea/benzoic acid dual catalyst system. Purification of the N-Boc-protected products by trituration or crystallization provides the optically pure tetrahydro--carboline derivatives in a scalable and highly practical procedure.Chemistry and Chemical Biolog
Dense loops, supersymmetry, and Goldstone phases in two dimensions
Loop models in two dimensions can be related to O(N) models. The
low-temperature dense-loops phase of such a model, or of its reformulation
using a supergroup as symmetry, can have a Goldstone broken-symmetry phase for
N<2. We argue that this phase is generic for -2< N <2 when crossings of loops
are allowed, and distinct from the model of non-crossing dense loops first
studied by Nienhuis [Phys. Rev. Lett. 49, 1062 (1982)]. Our arguments are
supported by our numerical results, and by a lattice model solved exactly by
Martins et al. [Phys. Rev. Lett. 81, 504 (1998)].Comment: RevTeX, 5 pages, 3 postscript figure
Oncologic Emergencies
This article is made available for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic.It has been estimated that genitourinary malignancies will account for 25% of new cancer diagnoses in the United States in 2005 (Jemal et al. 2005). While the incidence of many of these malignancies has increased over the past two decades, the mortality rates appear to be decreasing. Early cancer detection combined with improvements in surgical and nonsurgical oncologic therapy account for these trends. Although not common, newly diagnosed cancer patients occasionally present in an emergent, life-threatening manner that warrants immediate medical or surgical intervention. As the prevalence of genitourinary malignancies continues to expand, additional patients can be expected to develop disease or treatment-related complications. This chapter will serve to review the diagnosis and management of oncologic emergencies as they pertain to the urologist
The packing of two species of polygons on the square lattice
We decorate the square lattice with two species of polygons under the
constraint that every lattice edge is covered by only one polygon and every
vertex is visited by both types of polygons. We end up with a 24 vertex model
which is known in the literature as the fully packed double loop model. In the
particular case in which the fugacities of the polygons are the same, the model
admits an exact solution. The solution is obtained using coordinate Bethe
ansatz and provides a closed expression for the free energy. In particular we
find the free energy of the four colorings model and the double Hamiltonian
walk and recover the known entropy of the Ice model. When both fugacities are
set equal to two the model undergoes an infinite order phase transition.Comment: 21 pages, 4 figure
Studies on the Weak Itinerant Ferromagnet SrRuO3 under High Pressure to 34 GPa
The dependence of the Curie temperature Tc on nearly hydrostatic pressure has
been determined to 17.2 GPa for the weak itinerant ferromagnetic SrRuO3 in both
polycrystalline and single-crystalline form. Tc is found to decrease under
pressure from 162 K to 42.7 K at 17.2 GPa in nearly linear fashion at the rate
dTc/dP = -6.8 K/GPa. No superconductivity was found above 4 K in the pressure
range 17 to 34 GPa. Room-temperature X-ray diffraction studies to 25.3 GPa
reveal no structural phase transition but indicate that the average Ru-O-Ru
bond angle passes through a minimum near 15 GPa. The bulk modulus and its
pressure derivative were determined to be B =192(3) GPa and B' = 5.0(3),
respectively. Parallel ac susceptibility studies on polycrystalline CaRuO3 at 6
and 8 GPa pressure found no evidence for either ferromagnetism or
superconductivity above 4 K
Simulations of energetic beam deposition: from picoseconds to seconds
We present a new method for simulating crystal growth by energetic beam
deposition. The method combines a Kinetic Monte-Carlo simulation for the
thermal surface diffusion with a small scale molecular dynamics simulation of
every single deposition event. We have implemented the method using the
effective medium theory as a model potential for the atomic interactions, and
present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to
35 eV. The method is capable of following the growth of several monolayers at
realistic growth rates of 1 monolayer per second, correctly accounting for both
energy-induced atomic mobility and thermal surface diffusion. We find that the
energy influences island and step densities and can induce layer-by-layer
growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag),
which correlates with where the net impact-induced downward interlayer
transport is at a maximum. A high step density is needed for energy induced
layer-by-layer growth, hence the effect dies away at increased temperatures,
where thermal surface diffusion reduces the step density. As part of the
development of the method, we present molecular dynamics simulations of single
atom-surface collisions on flat parts of the surface and near straight steps,
we identify microscopic mechanisms by which the energy influences the growth,
and we discuss the nature of the energy-induced atomic mobility
Mechanical properties and formation mechanisms of a wire of single gold atoms
A scanning tunneling microscope (STM) supplemented with a force sensor is
used to study the mechanical properties of a novel metallic nanostructure: a
freely suspended chain of single gold atoms. We find that the bond strength of
the nanowire is about twice that of a bulk metallic bond. We perform ab initio
calculations of the force at chain fracture and compare quantitatively with
experimental measurements. The observed mechanical failure and nanoelastic
processes involved during atomic wire fabrication are investigated using
molecular dynamics (MD) simulations, and we find that the total effective
stiffness of the nanostructure is strongly affected by the detailed local
atomic arrangement at the chain bases.Comment: To be published in Phys. Rev. Lett. 4 pages with 3 figure
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