Evolution of spin correlations in SrDy2O4 in an applied magnetic field

The development of short- and long-range magnetic order induced in a frustrated zig-zag ladder compound SrDy2O4 by an applied field is studied using neutron diffraction techniques. In zero field, SrDy2O4 lacks long-range magnetic order down to temperatures as low as 60 mK, and the observed powder neutron diffraction (PND) patterns are dominated by very broad diffuse scattering peaks. Single crystal neutron diffraction reveals that the zero-field magnetic structure consists of a collection of antiferromagnetic chains running along the c axis and that there is very little correlation between the chains in the ab plane. In an applied magnetic field, the broad diffuse scattering features in PND are gradually replaced by much sharper peaks, however, the pattern remains rather complex, reflecting the highly anisotropic nature of SrDy2O4. Single crystal neutron diffraction shows that a moderate field applied along the b axis induces an up-up-down magnetic order associated with a 1/3-magnetisation plateau, in which magnetic correlation length in the ab plane is significantly increased, but it nevertheless remains finite. The resolution limited k = 0 peaks associated with a ferromagnetic arrangement appear in powder and single crystal neutron diffraction patterns in fields of 2.5 T and above.Comment: 10 pages, 11 figure

Magnetic charge and ordering in kagome spin ice

We present a numerical study of magnetic ordering in spin ice on kagome, a two-dimensional lattice of corner-sharing triangles. The magnet has six ground states and the ordering occurs in two stages, as one might expect for a six-state clock model. In spin ice with short-range interactions up to second neighbors, there is an intermediate critical phase separated from the paramagnetic and ordered phases by Kosterlitz-Thouless transitions. In dipolar spin ice, the intermediate phase has long-range order of staggered magnetic charges. The high and low-temperature phase transitions are of the Ising and 3-state Potts universality classes, respectively. Freeze-out of defects in the charge order produces a very large spin correlation length in the intermediate phase. As a result of that, the lower-temperature transition appears to be of the Kosterlitz-Thouless type.Comment: 20 pages, 12 figures, accepted version with minor change

Magnetic phase diagram of the antiferromagnetic pyrochlore Gd2Ti2O7

Gd2Ti2O7 is a highly frustrated antiferromagnet on a pyrochlore lattice, where apart from the Heisenberg exchange the spins also interact via dipole-dipole forces. We report on low-temperature specific heat measurements performed on single crystals of Gd2Ti2O7 for three different directions of an applied magnetic field. The measurements reveal the strongly anisotropic behaviour of Gd2Ti2O7 in a magnetic field despite the apparent absence of a significant single-ion anisotropy for Gd3+. The H-T phase diagrams are constructed for H//111], H//[110] and H//[112]. The results indicate that further theoretical work beyond a simple mean-field model is required.Comment: 4 figure

GRAPHO-ANALYTICAL MODELING OF PROCESSES OF INTERACTION OF ELEMENTARY COMPONENTS OF A MANAGEMENT PAIR

In order to analyze and justify the choice of the recommended modes of interaction of people in organizational entities, the article covers the main possibilities of increasing the effectiveness of human interaction on the basis of interpreting a typical management pair in the form of two elementary components that can interact in the "subject-object", "subject-subject”, “object-subject” and “object-object” modes, taking into account the fact that each component is characterized by a certain level of subjectivity. At the same time, the authors take into account the fact that during the life of a person and its life cycle in an organizational formation the level of subjectivity of any person varies within the boundary of the linear continuum object - subject, and its subjectity in organizational formation is defined by no means other, as the current state of the ratio of the number of formal and informal influences of the individual as a subject to other members of the organization to the number of the same effects on it as an object from other members of the organization. Due to the fact that the life cycles of the elementary components are characterized by the presence of each of the periods of increase in subjectivity with the achievement of each peak value and the subsequent gradual loss after release or retirement, it is demonstrated that the joint and equally effective activity of the components is possible only provided that they maintain the subject-subject mode of interaction, which corresponds to the dialogue of the two parties, rather than management of or management by one side of the other. Using the superposition of graph- analytic dependencies of Dunig-Kruger and changes in subjectivity throughout life, it is proved that the basic condition for the implementation of such a managerial dialogue is the awareness of both components of the managerial pair of the fact that the concept of the subject loses meaning without the existence of the object, and therefore maintaining the process of dialogue-cooperation is possible only under the condition of equality and freedom of the participants and the inter-orientation of each of the partners as the subject, the tool for establishing partnerships is management on the basis of the dialogue communication process with the mutual recognition of each of the participants in their freedom, equality and value - subjectivity. It has been established that the priority factors determining the results of the operation of a typical management pair are not the structure and the relationship between its constituent elements, but the intellectual, moral and psychological characteristics of these elements and the awareness of the latter as partners that jointly solve the problem with the achievement of mutually established and harmonized goals.In order to analyze and justify the choice of the recommended modes of interaction of people in organizational entities, the article covers the main possibilities of increasing the effectiveness of human interaction on the basis of interpreting a typical management pair in the form of two elementary components that can interact in the "subject-object", "subject-subject”, “object-subject” and “object-object” modes, taking into account the fact that each component is characterized by a certain level of subjectivity. At the same time, the authors take into account the fact that during the life of a person and its life cycle in an organizational formation the level of subjectivity of any person varies within the boundary of the linear continuum object - subject, and its subjectity in organizational formation is defined by no means other, as the current state of the ratio of the number of formal and informal influences of the individual as a subject to other members of the organization to the number of the same effects on it as an object from other members of the organization. Due to the fact that the life cycles of the elementary components are characterized by the presence of each of the periods of increase in subjectivity with the achievement of each peak value and the subsequent gradual loss after release or retirement, it is demonstrated that the joint and equally effective activity of the components is possible only provided that they maintain the subject-subject mode of interaction, which corresponds to the dialogue of the two parties, rather than management of or management by one side of the other. Using the superposition of graph- analytic dependencies of Dunig-Kruger and changes in subjectivity throughout life, it is proved that the basic condition for the implementation of such a managerial dialogue is the awareness of both components of the managerial pair of the fact that the concept of the subject loses meaning without the existence of the object, and therefore maintaining the process of dialogue-cooperation is possible only under the condition of equality and freedom of the participants and the inter-orientation of each of the partners as the subject, the tool for establishing partnerships is management on the basis of the dialogue communication process with the mutual recognition of each of the participants in their freedom, equality and value - subjectivity. It has been established that the priority factors determining the results of the operation of a typical management pair are not the structure and the relationship between its constituent elements, but the intellectual, moral and psychological characteristics of these elements and the awareness of the latter as partners that jointly solve the problem with the achievement of mutually established and harmonized goals

Energy benchmarks for water clusters and ice structures from an embedded many-body expansion

We show how an embedded many-body expansion (EMBE) can be used to calculate accurate \emph{ab initio} energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave \emph{et al.} (J. Chem. Phys. \textbf{137}, 164102 (2012)), in which the terms in the expansion are obtained from calculations on monomers, dimers, etc. acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order M\o{}ller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 m$E_{\rm h}$/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested

Extreme 13C depletion of CCl2F2 in firn air samples from NEEM, Greenland

A series of 12 high volume air samples collected from the S2 firn core during the North Greenland Eemian Ice Drilling (NEEM) 2009 campaign have been measured for mixing ratio and stable carbon isotope composition of the chlorofluorocarbon CFC-12 (CCl2F2). While the mixing ratio measurements compare favorably to other firn air studies, the isotope results show extreme 13C depletion at the deepest measurable depth (65 m), to values lower than d13C = -80‰ vs. VPDB (the international stable carbon isotope scale), compared to present day surface tropospheric measurements near -40‰. Firn air modeling was used to interpret these measurements. Reconstructed atmospheric time series indicate even larger depletions (to -120‰) near 1950 AD, with subsequent rapid enrichment of the atmospheric reservoir of the compound to the present day value. Mass-balance calculations show that this change is likely to have been caused by a large change in the isotopic composition of anthropogenic CFC-12 emissions, probably due to technological advances in the CFC production process over the last 80 yr, though direct evidence is lacking

Free energy landscapes for homogeneous nucleation of ice for a monatomic water model

We simulate the homogeneous nucleation of ice from supercooled liquid water at 220 K in the isobaric-isothermal ensemble using the MW monatomic water potential. Monte Carlo simulations using umbrella sampling are performed in order to determine the nucleation free energy barrier. We find the Gibbs energy profile to be relatively consistent with that predicted by classical nucleation theory; the free energy barrier to nucleation was determined to be ~18 kT and the critical nucleus comprised ~85 ice particles. Growth from the supercooled liquid gives clusters that are predominantly cubic, whilst starting with a pre-formed subcritical nucleus of cubic or hexagonal ice results in the growth of predominantly that phase of ice only.Comment: 11 pages, 6 figures; updated with nucleation rates and additional comparisons with some newly published paper