Micellar Crystals in Solution from Molecular Dynamics Simulations

Polymers with both soluble and insoluble blocks typically self-assemble into micelles, aggregates of a finite number of polymers where the soluble blocks shield the insoluble ones from contact with the solvent. Upon increasing concentration, these micelles often form gels that exhibit crystalline order in many systems. In this paper, we present a study of both the dynamics and the equilibrium properties of micellar crystals of triblock polymers using molecular dynamics simulations. Our results show that equilibration of single micelle degrees of freedom and crystal formation occurs by polymer transfer between micelles, a process that is described by transition state theory. Near the disorder (or melting) transition, bcc lattices are favored for all triblocks studied. Lattices with fcc ordering are also found, but only at lower kinetic temperatures and for triblocks with short hydrophilic blocks. Our results lead to a number of theoretical considerations and suggest a range of implications to experimental systems with a particular emphasis on Pluronic polymers.Comment: 12 pages, 11 figures. Note that some figures are extremely low quality to meet arXiv's file size limit

Magnetic shape-memory effect in SrRuO3_3

Like most perovskites, SrRuO$_3$ exhibits structural phase transitions associated with rotations of the RuO$_6$ octahedra. The application of moderate magnetic fields in the ferromagnetically ordered state allows one to fully control these structural distortions, although the ferromagnetic order occurs at six times lower temperature than the structural distortion. Our neutron diffraction and macroscopic measurements unambiguously show that magnetic fields rearrange structural domains, and that for the field along a cubic [110]$_c$ direction a fully detwinned crystal is obtained. Subsequent heating above the Curie temperature causes a magnetic shape-memory effect, where the initial structural domains recover

Radiation Generated by Charge Migration Following Ionization

Electronic many-body effects alone can be the driving force for an ultrafast migration of a positive charge created upon ionization of molecular systems. Here we show that this purely electronic phenomenon generates a characteristic IR radiation. The situation when the initial ionic wave packet is produced by a sudden removal of an electron is also studied. It is shown that in this case a much stronger UV emission is generated. This emission appears as an ultrafast response of the remaining electrons to the perturbation caused by the sudden ionization and as such is a universal phenomenon to be expected in every multielectron system.Comment: 5 pages, 4 figure

Nonequilibrium processes from Generalised Langevin Equations: realistic nanoscale systems connected to two thermal baths

We extend the Generalised Langevin Equation (GLE) method [Phys. Rev. B 89, 134303 (2014)] to model a central classical region connected to two realistic thermal baths at two different temperatures. In such nonequilibrium conditions a heat flow is established, via the central system, in between the two baths. The GLE-2B (GLE two baths) scheme permits us to have a realistic description of both the dissipative central system and its surrounding baths. Following the original GLE approach, the extended Langevin dynamics scheme is modified to take into account two sets of auxiliary degrees of freedom corresponding to the mapping of the vibrational properties of each bath. These auxiliary variables are then used to solve the non-Markovian dissipative dynamics of the central region. The resulting algorithm is used to study a model of a short Al nanowire connected to two baths. The results of the simulations using the GLE-2B approach are compared to the results of other simulations that were carried out using standard thermostatting approaches (based on Markovian Langevin and Nose-Hoover thermostats). We concentrate on the steady state regime and study the establishment of a local temperature profile within the system. The conditions for obtaining a flat profile or a temperature gradient are examined in detail, in agreement with earlier studies. The results show that the GLE-2B approach is able to treat, within a single scheme, two widely different thermal transport regimes, i.e. ballistic systems, with no temperature gradient, and diffusive systems with a temperature gradient.Comment: present version accepted for publication in Phys. Rev. B (Apr 2016

Hyperextended Scalar-Tensor Gravity

We study a general Scalar-Tensor Theory with an arbitrary coupling funtion $\omega (\phi )$ but also an arbitrary dependence of the ``gravitational constant'' $G(\phi )$ in the cases in which either one of them, or both, do not admit an analytical inverse, as in the hyperextended inflationary scenario. We present the full set of field equations and study their cosmological behavior. We show that different scalar-tensor theories can be grouped in classes with the same solution for the scalar field.Comment: latex file, To appear in Physical Review

The Active Mirror Control of the MAGIC Telescope

One of the main design goals of the MAGIC telescopes is the very fast repositioning in case of Gamma Ray Burst (GRB) alarms, implying a low weight of the telescope dish. This is accomplished by using a space frame made of carbon fiber epoxy tubes, resulting in a strong but not very rigid support structure. Therefore it is necessary to readjust the individual mirror tiles to correct for deformations of the dish under varying gravitational load while tracking an object. We present the concept of the Active Mirror Control (AMC) as implemented in the MAGIC telescopes and the actual performance reached. Additionally we show that also telescopes using a stiff structure can benefit from using an AMC.Comment: Contribution to the 30th ICRC, Merida, Mexico, July 2007 on behalf of the MAGIC Collaboratio

Ricci Collineations of the Bianchi Type II, VIII, and IX Space-times

Ricci and contracted Ricci collineations of the Bianchi type II, VIII, and IX space-times, associated with the vector fields of the form (i) one component of $\xi^a(x^b)$ is different from zero and (ii) two components of $\xi^a(x^b)$ are different from zero, for $a,b=1,2,3,4$, are presented. In subcase (i.b), which is $\xi^a= (0,\xi^2(x^a),0,0)$, some known solutions are found, and in subcase (i.d), which is $\xi^a =(0,0,0,\xi^4(x^a))$, choosing $S(t)=const.\times R(t)$, the Bianchi type II, VIII, and IX space-times is reduced to the Robertson-Walker metric.Comment: 12 Pages, LaTeX, 1 Table, no figure

Some exact non-vacuum Bianchi VI0 and VII0 instantons

We report some new exact instantons in general relativity. These solutions are K\"ahler and fall into the symmetry classes of Bianchi types VI0 and VII0, with matter content of a stiff fluid. The qualitative behaviour of the solutions is presented, and we compare it to the known results of the corresponding self-dual Bianchi solutions. We also give axisymmetric Bianchi VII0 solutions with an electromagnetic field.Comment: latex, 15 pages with 3 eps figure