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An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an efficient approach to address these properties via a Monte Carlo simulation, using ab initio-based effective interaction models. The temperature evolution of self- and Cu diffusion coefficients in α-iron are successfully predicted, particularly the diffusion acceleration around the Curie point, which requires a quantum treatment of spins. We point out a dominance of magnetic disorder over chemical effects on diffusion in the very dilute systems.Computer simulations of the fluid-to-solid phase transition in the hard sphere system were instrumental for our understanding of crystallization processes. But while colloid experiments and theory have been predicting the stability of several binary hard sphere crystals for many years, simulations were not successful to confirm this phenomenon. Here, we report the growth of binary hard sphere crystals isostructural to Laves phases, AlB_2, and NaZn_13 in simulation directly from the fluid. We analyze particle kinetics during Laves phase growth using event-driven molecular dynamics simulations with and without swap moves that speed up diffusion. The crystallization process transitions from nucleation and growth to spinodal decomposition already deep within the fluid-solid coexistence regime. Finally, we present packing fraction-size ratio state diagrams in the vicinity of the stability regions of three binary crystals.Higher-order topological insulators (HOTIs) have emerged as a new class of phases, whose robust in-gap "corner" modes arise from the bulk higher-order multipoles beyond the dipoles in conventional topological insulators. Here, we incorporate Floquet driving into HOTIs, and report for the first time a dynamical polarization theory with anomalous nonequilibrium multipoles. Further, a proposal to detect not only corner states but also their dynamical origin in cold atoms is demonstrated, with the latter one never achieved before. Experimental determination of anomalous Floquet corner modes is also proposed.A novel method to calculate mode Grüneisen parameters of a material from first principles is presented. This method overcomes the difficulties and limitations of existing approaches, based on the calculation of either third-order force constants or phonon frequencies at different volumes. Our method requires the calculation of phonon frequencies of a material at only the volume of interest, it is based on the second-order differentiation of a corrected stress tensor with respect to normal mode coordinates, and it yields simultaneously all the components of the mode Grüneisen parameters tensor. In this work, after discussing conceptual and technical aspects, the method is applied to silicon, aluminum, scandium fluoride, and a metallic alloy. These calculations show that our method is straightforward and it is suited to be applied to the broad class of materials prone to exhibit structural instabilities, or presenting anisotropy, or chemical and/or structural disorder.We consider the number N_θ_A(θ) of eigenvalues e^iθ_j of a random unitary matrix, drawn from CUE_β(N), in the interval θ_j∈[θ_A,θ]. The deviations from its mean, N_θ_A(θ)-E[N_θ_A(θ)], form a random process as function of θ. see more We study the maximum of this process, by exploiting the mapping onto the statistical mechanics of log-correlated random landscapes. By using an extended Fisher-Hartwig conjecture supplemented with the freezing duality conjecture for log-correlated fields, we obtain the cumulants of the distribution of that maximum for any β>0. It exhibits combined features of standard counting statistics of fermions (free for β=2 and with Sutherland-type interaction for β≠2) in an interval and extremal statistics of the fractional Brownian motion with Hurst index H=0. The β=2 results are expected to apply to the statistics of zeroes of the Riemann Zeta function.We present a microwave electron spin resonance study of the quantum spin dimer system TlCuCl_3, which shows the magnetic-field-induced ordering with both antiferromagnetic spin order and ferroelectricity by the Bose-Einstein condensation (BEC) of triplon quasiparticles. Our main achievement is an electrical switching of the nonreciprocal directional microwave response in the triplon BEC phase. High-speed directional control of microwave absorption by applying an electric field has been accomplished in this Letter. The strength of the observed nonreciprocal microwave response well agrees with the calculation based on Kubo theory with the parameters, evaluated from the static electric polarization in this material.We show the directional dichroism in a collinear antiferromagnet MnTiO_3. The dichroism between two distinctive antiferromagnetic states with opposite signs of staggered magnetic moments can be regarded as magnetochiral dichroism in the absence of external fields. Electric-field reversal of antiferromagnetic domain causes a change in the absorption intensity of unpolarized light around 2.15 eV. The difference in optical absorption between two antiferromagnetic states is reversed for the light propagating in the opposite direction. The absorption coefficient displays a hysteretic behavior for a cycle of sweeping the external electric or magnetic field.A search for the decays B_s^0→e^+e^- and B^0→e^+e^- is performed using data collected with the LHCb experiment in proton-proton collisions at center-of-mass energies of 7, 8, and 13 TeV, corresponding to integrated luminosities of 1, 2, and 2 fb^-1, respectively. No signal is observed. Assuming no contribution from B^0→e^+e^- decays, an upper limit on the branching fraction B(B_s^0→e^+e^-) less then 9.4(11.2)×10^-9 is obtained at 90(95)% confidence level. If no B_s^0→e^+e^- contribution is assumed, a limit of B(B^0→e^+e^-) less then 2.5(3.0)×10^-9 is determined at 90(95)% confidence level. These upper limits are more than one order of magnitude lower than the previous values.
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