Positive effective Q12 electrostrictive coefficient in perovskites

It is demonstrated that for classical perovskites such as BaTiO3, SrTiO3 and PbTiO3 electrostrictive strain induced by an electric field may not obey traditionally considered "extension along the field, contraction perpendicular to it" behavior if a sample is cut obliquely to the cubic crystallographic directions

Optimal configuration of microstructure in ferroelectric materials by stochastic optimization

An optimization procedure determining the ideal configuration at the microstructural level of ferroelectric (FE) materials is applied to maximize piezoelectricity. Piezoelectricity in ceramic FEs differ significantly from that of single crystals because of the presence of crystallites (grains) possessing crystallographic axes aligned imperfectly. The piezoelectric properties of a polycrystalline (ceramic) FE is inextricably related to the grain orientation distribution (texture). The set of combination of variables, known as solution space, which dictates the texture of a ceramic is unlimited and hence the choice of the optimal solution which maximizes the piezoelectricity is complicated. Thus a stochastic global optimization combined with homogenization is employed for the identification of the optimal granular configuration of the FE ceramic microstructure with optimum piezoelectric properties. The macroscopic equilibrium piezoelectric properties of polycrystalline FE is calculated using mathematical homogenization at each iteration step. The configuration of grains characterised by its orientations at each iteration is generated using a randomly selected set of orientation distribution parameters. Apparent enhancement of piezoelectric coefficient $d_{33}$ is observed in an optimally oriented BaTiO$_3$ single crystal. A configuration of crystallites, simultaneously constraining the orientation distribution of the c-axis (polar axis) while incorporating ab-plane randomness, which would multiply the overall piezoelectricity in ceramic BaTiO$_{3}$ is also identified. The orientation distribution of the c-axes is found to be a narrow Gaussian distribution centred around ${45^\circ}$. The piezoelectric coefficient in such a ceramic is found to be nearly three times as that of the single crystal.Comment: 11 pages, 7 figure

Spatio-temporal vortex beams and angular momentum

We present a space-time generalization of the known spatial (monochromatic) wave vortex beams carrying intrinsic orbital angular momentum (OAM) along the propagation direction. Generic spatio-temporal vortex beams are polychromatic and can carry intrinsic OAM at an arbitrary angle to the mean momentum. Applying either (i) a transverse wave-vector shift or (ii) a Lorentz boost to a monochromatic Bessel beam, we construct a family of either (i) time-diffracting or (ii) non-diffracting spatio-temporal Bessel beams, which are exact solutions of the Klein-Gordon wave equations. The proposed spatio-temporal OAM states are able to describe either photon or electron vortex states (both relativistic and nonrelativistic), and can find applications in particle collisions, optics of moving media, quantum communications, and astrophysics.Comment: 9 pages, 6 figures, to appear in Phys. Rev.

Modeling Factions for \u27Effects Based Operations\u27: Part I Leader and Follower Behaviors

This paper presents a synthetic approach for generating role playing simulation games intended to support analysts (and trainees) interested in testing alternative competing courses of action (operations) and discovering what effects they are likely to precipitate in potential ethno-political conflict situations. Simulated leaders and followers capable of playing these games are implemented in a cognitive modeling framework, called PMFserv, which covers value systems, personality and cultural factors, emotions, relationships, perception, stress/coping style and decision making. Of direct interest, as Sect. 1.1 explains, is mathematical representation and synthesis of best-of-breed behavioral science models within this framework to reduce dimensionality and to improve the realism and internal validity of the agent implementations. Sections 2 and 3 present this for leader profiling instruments and group membership decision-making, respectively. Section 4 serves as an existence proof that the framework has generated several training and analysis tools, and Sect. 5 concludes with lessons learned. Part II turns to the question of assessment of the synthesis and its usage in course of action studies

American power and identities in the age of Obama

Although the election of Barack Obama to the US presidency represents a landmark event in the history of that country, questions remain over its broader political significance. What is the likelihood of Obama's foreign and national security policies differing fundamentally from those of the Bush administrations Does Obama's election signal a post-racial phase in American national life What are the factors that suggest opportunities to change and expand American identities as opposed to those that limit Obama's sphere of action This article introduces the special issue and suggests that although Obama's room for manoeuvre is limited by legacies inherited from the Bush administration, Obama's own appointments to high office as well as other actions, despite the availability of alternative courses, indicate that he is not the transformational president he claimed to be. American identities, therefore, are deeply embedded and remain heavily imbued with racial, religious and imperial features

Quasiharmonic elastic constants corrected for deviatoric thermal stresses

The quasiharmonic approximation (QHA), in its simplest form also called the statically constrained (SC) QHA, has been shown to be a straightforward method to compute thermoelastic properties of crystals. Recently we showed that for non-cubic solids SC-QHA calculations develop deviatoric thermal stresses at high temperatures. Relaxation of these stresses leads to a series of corrections to the free energy that may be taken to any desired order, up to self-consistency. Here we show how to correct the elastic constants obtained using the SC-QHA. We exemplify the procedure by correcting to first order the elastic constants of MgSiO$_3$-perovskite and MgSiO$_3$-post-perovskite, the major phases of the Earth's lower mantle. We show that this first order correction is quite satisfactory for obtaining the aggregated elastic averages of these minerals and their velocities in the lower mantle. This type of correction is also shown to be applicable to experimental measurements of elastic constants in situations where deviatoric stresses can develop, such as in diamond anvil cells.Comment: 4 figures, 1 table, submitted to Phys. Rev. B, July 200

The modalities of Iranian soft power: from cultural diplomacy to soft war

Through exploring Iran's public diplomacy at the international level, this article demonstrates how the Islamic Republic's motives should not only be contextualised within the oft-sensationalised, material or ‘hard’ aspects of its foreign policy, but also within the desire to project its cultural reach through ‘softer’ means. Iran's utilisation of culturally defined foreign policy objectives and actions demonstrates its understanding of soft power's potentialities. This article explores the ways in which Iran's public diplomacy is used to promote its soft power and craft its, at times, shifting image on the world stage

Probing Cold Dark Matter Cusps by Gravitational Lensing

I elaborate on my prediction that an indirect detection of cold dark matter (CDM) may be possible by observing the gravitational lensing effects of the CDM cusp caustics at cosmological distances. Cusps in the distribution of CDM are plentiful once density perturbations enter the nonlinear regime of structure formation. Caustic ring model of galactic halo formation provides a well defined density profile and geometry near the cusps of the caustic rings. I calculate the gravitational lensing effects of the cusps in this model. As a pointlike background source passes behind a cusp of a cosmological foreground halo, the magnification in its image may be detected by present instruments. Depending on the strength of detected effect and the time scale of brightness change, it may even be possible to discriminate between the CDM candidates: axions and weakly interacting massive particles.Comment: Invited Contribution to the IJMPD Special Issue on Dark Matter and Dark Energy edited by D. Ahluwalia-Khalilova and D. Grumiller. To appear in Int. J. Mod. Phys. D Special December 2006 issu

Modeling the iron oxides and oxyhydroxides for the prediction of environmentally sensitive phase transformations

Iron oxides and oxyhydroxides are challenging to model computationally as competing phases may differ in formation energies by only several kJ/mol, they undergo magnetization transitions with temperature, their structures may contain partially occupied sites or long-range ordering of vacancies, and some loose structures require proper description of weak interactions such as hydrogen bonding and dispersive forces. If structures and transformations are to be reliably predicted under different chemical conditions, each of these challenges must be overcome simultaneously, while preserving a high level of numerical accuracy and physical sophistication. Here we present comparative studies of structure, magnetization, and elasticity properties of iron oxides and oxyhydroxides using density functional theory calculations with plane-wave and locally-confined-atomic-orbital basis sets, which are implemented in VASP and SIESTA packages, respectively. We have selected hematite, maghemite, goethite, lepidocrocite, and magnetite as model systems from a total of 13 known iron oxides and oxyhydroxides; and use same convergence criteria and almost equivalent settings in order to make consistent comparisons. Our results show both basis sets can reproduce the energetic stability and magnetic ordering, and are in agreement with experimental observations. There are advantages to choosing one basis set over the other, depending on the intended focus. In our case, we find the method using PW basis set most appropriate, and combine our results to construct the first phase diagram of iron oxides and oxyhydroxides in the space of competing chemical potentials, generated entirely from first principlesComment: 46 pages - Accepted for publication in PRB (19 journal pages), January 201