1,838 research outputs found
Geometric approach to Fletcher's ideal penalty function
Original article can be found at: www.springerlink.com Copyright Springer. [Originally produced as UH Technical Report 280, 1993]In this note, we derive a geometric formulation of an ideal penalty function for equality constrained problems. This differentiable penalty function requires no parameter estimation or adjustment, has numerical conditioning similar to that of the target function from which it is constructed, and also has the desirable property that the strict second-order constrained minima of the target function are precisely those strict second-order unconstrained minima of the penalty function which satisfy the constraints. Such a penalty function can be used to establish termination properties for algorithms which avoid ill-conditioned steps. Numerical values for the penalty function and its derivatives can be calculated efficiently using automatic differentiation techniques.Peer reviewe
Antiferromagnetic ordering and dipolar interactions of YbAlO
In this paper we report low-temperature magnetic properties of the rare-earth
perovskite material YbAlO. Results of elastic and inelastic neutron
scattering experiment, magnetization measurements along with the crystalline
electrical field (CEF) calculations suggest that the ground state of Yb moments
is a strongly anisotropic Kramers doublet, and the moments are confined in the
-plane, pointing at an angle of to the
-axis. With temperature decreasing below K, Yb moments
order into the coplanar, but non-collinear antiferromagnetic (AFM) structure
, where the moments are pointed along their easy-axes. In addition, we
highlight the importance of the dipole-dipole interaction, which selects the
type of magnetic ordering and may be crucial for understanding magnetic
properties of other rare-earth orthorhombic perovskites. Further analysis of
the broad diffuse neutron scattering shows that one-dimensional interaction
along the -axis is dominant, and suggests YbAlO as a new member of one
dimensional quantum magnets.Comment: 8 pages, 6 figure
Competition and coexistence of antiferromagnetism and superconductivity in underdoped Ba(Fe0.953Co0.047)2As2
Neutron and x-ray diffraction studies show that the simultaneous first-order
transition to an orthorhombic and antiferromagnetic (AFM) ordered state in
BaFe2As2 splits into two transitions with Co doping. For
Ba(Fe0.953Co0.047)2As2, a tetragonal-orthorhombic transition occurs at TS = 60
K, followed by a second-order transition to AFM order at TN = 47 K.
Superconductivity (SC) occurs in the orthorhombic state below TC = 15 K and
coexists with AFM. Below TC, the static Fe moment is reduced and a 4 meV spin
gap develops indicating competition between coexisting SC and AFM order.Comment: 15 pages, 4 figure
Stabilization of Polar Nano Regions in Pb-free ferroelectrics
Formation of polar nano regions through solid-solution additions are known to
enhance significantly the functional properties of ferroelectric materials.
Despite considerable progress in characterizing the microscopic behavior of
polar nano regions, understanding their real-space atomic structure and
dynamics of formation remains a considerable challenge. Here, using the method
of dynamic pair distribution function, we provide direct insights into the role
of solid-solution additions towards the stabilization of polar nano regions in
the Pb-free ferroelectric of Ba(Zr,Ti)O3. It is shown that for an optimum level
of substitution of Ti by larger Zr ions, the dynamics of atomic displacements
for ferroelectric polarization are slowed sufficiently, which leads to
increased local correlation among dipoles below THz frequencies. The dynamic
pair distribution function technique demonstrates unique capability to obtain
insights into locally correlated atomic dynamics in disordered materials,
including new Pb-free ferroelectrics, which is necessary to understand and
control their functional properties
Revisiting the ground state of CoAlO: comparison to the conventional antiferromagnet MnAlO
The A-site spinel material, CoAl2O4, is a physical realization of the
frustrated diamond-lattice antiferromagnet, a model in which is predicted to
contain unique incommensurate or `spin-spiral liquid' ground states. Our
previous single-crystal neutron scattering study instead classified it as a
`kinetically-inhibited' antiferromagnet, where the long ranged correlations of
a collinear Neel ground state are blocked by the freezing of domain wall motion
below a first-order phase transition at T* = 6.5 K. The current paper expands
on our original results in several important ways. New elastic and inelastic
neutron measurements are presented that show our initial conclusions are
affected by neither the sample measured nor the instrument resolution, while
measurements to temperatures as low as T = 250 mK limit the possible role being
played by low-lying thermal excitations. Polarized diffuse neutron measurements
confirm reports of short-range antiferromagnetic correlations and diffuse
streaks of scattering, but major diffuse features are explained as signatures
of overlapping critical correlations between neighboring Brillouin zones.
Finally, and critically, this paper presents detailed elastic and inelastic
measurements of magnetic correlations in a single-crystal of MnAl2O4, which
acts as an unfrustrated analogue to CoAl2O4. The unfrustrated material is shown
to have a classical continuous phase transition to Neel order at T_N = 39 K,
with collective spinwave excitations and Lorentzian-like critical correlations
which diverge at the transition. Direct comparison between the two compounds
indicates that CoAl2O4 is unique, not in the nature of high-temperature diffuse
correlations, but rather in the nature of the frozen state below T*. The higher
level of cation inversion in the MnAl2O4 sample indicates that this novel
behavior is primarily an effect of greater next-nearest-neighbor exchange.Comment: 13 pages, 8 figures, acccepted for publication in Physical Review
- …