Search results for "Gradient"
showing 10 items of 725 documents
Spin caloric effects in antiferromagnets assisted by an external spin current
2018
Searching for novel spin caloric effects in antiferromagnets we study the properties of thermally activated magnons in the presence of an external spin current and temperature gradient. We predict the spin Peltier effect -- generation of a heat flux by spin accumulation -- in an antiferromagnetic insulator with cubic or uniaxial magnetic symmetry. This effect is related with spin-current induced splitting of the relaxation times of the magnons with opposite spin direction. We show that the Peltier effect can trigger antiferromagnetic domain wall motion with a force whose value grows with the temperature of a sample. At a temperature, larger than the energy of the low-frequency magnons, this…
Momentum transfer across shear flows in Smoothed Particle Hydrodynamic simulations of galaxy formation
2003
We investigate the evolution of angular momentum in SPH simulations of galaxy formation, paying particular attention to artificial numerical effects. We find that a cold gas disc forming in an ambient hot gas halo receives a strong hydrodynamic torque from the hot gas. By splitting the hydrodynamic force into artificial viscosity and pressure gradients, we find that the angular momentum transport is caused not by the artificial viscosity but by the pressure gradients. Using simple test simulations of shear flows, we conclude that the pressure gradient-based viscosity can be divided into two components: one due to the noisiness of SPH and the other to ram pressure. The former is problematic …
IBSIMU: a three-dimensional simulation software for charged particle optics.
2010
A general-purpose three-dimensional (3D) simulation code IBSIMU for charged particle optics with space charge is under development at JYFL. The code was originally developed for designing a slit-beam plasma extraction and nanosecond scale chopping for pulsed neutron generator, but has been developed further and has been used for many applications. The code features a nonlinear FDM Poisson's equation solver based on fast stabilized biconjugate gradient method with ILU0 preconditioner for solving electrostatic fields. A generally accepted nonlinear plasma model is used for plasma extraction. Magnetic fields can be imported to the simulations from other programs. The particle trajectories are …
A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities
2005
The frequency-dependent polarizabilities and hyperpolarizabilities of HF, CO, H2O and para-nitroaniline calculated by density-functional theory are compared with accurate coupled-cluster results. Whereas the local-density approximation and the generalized gradient approximation (BLYP) perform very similarly and overestimate polarizabilities and, in particular, the hyperpolarizabilities, hybrid density-functional theory (B3LYP) performs better and produces results similar to those obtained by coupled-cluster singles-and-doubles theory. Comparisons are also made for singlet excitation energies, calculated using linear response theory.
Quorum-sensing active particles with discontinuous motility
2019
We develop a dynamic mean-field theory for polar active particles that interact through a self-generated field, in particular one generated through emitting a chemical signal. While being a form of chemotactic response, it is different from conventional chemotaxis in that particles discontinuously change their motility when the local concentration surpasses a threshold. The resulting coupled equations for density and polarization are linear and can be solved analytically for simple geometries, yielding inhomogeneous density profiles. Specifically, here we consider a planar and circular interface. Our theory thus explains the observed coexistence of dense aggregates with an active gas. There…
Fully Developed Mixed Magnetohydrodynamic Convection in a Vertical Square Duct
2008
The fully developed flow of an electrically conducting, internally heated fluid in a vertical square duct under the influence of buoyancy and magnetohydrodynamic forces is studied. The flow being parallel, the governing equations are two-dimensional and linear; an analytical solution exists for temperature, while velocity and electric potential are computed by a finite difference technique under different electric boundary conditions, forced to natural convection intensity ratios and values of the magnetic induction. Limiting values of pressure gradient and mean velocity are determined for the flow to be unidirectional throughout the duct's section; recirculation occurs for intermediate val…
Convection in the Surface Layers of Neutron Stars
1997
During some phases of a neutron star's evolution, the temperature gradient in the surface layers, calculated assuming only radiative and conductive transport, may exceed the adiabatic gradient. This superadiabatic gradient is the necessary (but not sufficient) condition for convective instability. The present paper examines the sufficiency condition for the onset of convection in neutron stars in the presence of a strong magnetic field. It is shown that the large fields typically found in neutron stars—about 1011 to 1013 G—stabilize the atmosphere against convection. Convective instability can arise only in neutron stars with very weak magnetic fields, ≤108-109 G. Convective motions in such…
Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.
2009
The general theory of analytic energy gradients is presented for the state-specific multireference coupled cluster method introduced by Mukherjee and co-workers [Mol. Phys. 94, 157 (1998)], together with an implementation within the singles and doubles approximation, restricted to two closed-shell determinants and Hartree-Fock orbitals. Expressions for the energy gradient are derived based on a Lagrangian formalism and cast in a density-matrix notation suitable for implementation in standard quantum-chemical program packages. In the present implementation, we exploit a decomposition of the multireference coupled cluster gradient expressions, i.e., lambda equations and the corresponding dens…
An energy residual-based approach to gradient effects within the mechanics of generalized continua
2012
AbstractGeneralized continua exhibiting gradient effects are addressed through a method grounded on the energy residual (ER)-based gradient theory by the first author and coworkers. A main tool of this theory is the Clausius-Duhem inequality cast in a form differing from the classical one only by a nonstandard extra term, the (nonlocality) ER, required to satisfy the insulation condition (its global value has to vanish or to take a known value). The ER carries in the nonlocality features of the mechanical problem through a strain-like rate field, being the specific nonlocality source, and a concomitant higher-order long-range stress (or microstress) field. The thermodynamic restrictions on …
Numerical Stochastic Perturbation Theory and the Gradient Flow
2013
We study the Yang-Mills gradient flow using numerical stochastic perturbation theory. As an application of the method we consider the recently proposed gradient flow coupling in the Schr\"odinger functional for the pure SU(3) gauge theory.