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We prove the local Lipschitz regularity of the local minimizers of scalar integral functionals of the form \begin{equation*} \mathcal{F}(v;\Omega)= \int_{\Omega} f (x, Dv) dx \end{equation*} under $(p,q)$-growth conditions. The main novelty is that, beside a suitable regularity assumption on the partial map $x\mapsto f(x,\xi)$, we do not assume any special structure for the energy density as a function of the $\xi$-variable.

We present an experimental study of the magnetoelectric coupling (MEC) in the Fe-Ga/PMN-PT thin film multiferroic composite by means of x-ray magnetic circular dichroism (XMCD) and ferromagnetic resonance (FMR). Our measurements show evidence for a charge mediated coupling mechanism, suggested by the asymmetric magnetic remanence (M$_{rem}$) behaviour under opposite electric fields ($\pm$ E) and the asymmetric resonance field (H$_r$) in the FMR measurements. Also, the FMR measurements reveal a perpendicular magnetic anisotropy (PMA), that can be related to an interface charge effect. and it is tunable by E field. Ab initio calculations support the existence of a charge mediated coupling at the Fe-Ga/PMN-PT interface., Comment: 7 pages, 5 figures, Supplemental Material

We consider local weak solutions of widely degenerate or singular elliptic PDEs of the type \begin{equation*} -\,\mathrm{div}\left((\vert Du\vert-\lambda)_{+}^{p-1}\frac{Du}{\vert Du\vert}\right)=f \,\,\,\,\,\,\, \text{in}\,\,\Omega, \end{equation*} where $\Omega$ is an open subset of $\mathbb{R}^{n}$ for $n\geq2$, $\lambda$ is a positive constant and $(\,\cdot\,)_{+}$ stands for the positive part. We establish some higher differentiability results, under essentially sharp conditions on the datum $f$. For $\lambda=0$, our results give back those contained in [12, 25].

$Ab$ $initio$ calculations show the presence of a strong magnetoelectric interfacial coupling in CaMnO$_3$ ultra-thin film grown on a strained BaTiO$_3$ ferroelectric film. This heterostructure presents a polarization driven magnetic transition from a G-type to an A-type antiferromagnetic structure. Together with this magnetic transition we find a metallic behaviour at the interface between these two insulators, where the charge character of the carriers can be tuned from electrons to holes by switching the electric polarization direction of the FE film. Besides, the electron gas is spin-polarized while the hole-gas is not., Comment: 8 pages, 5 figures, supplementary

We establish the Lipschitz regularity of the a priori bounded local minimizers of integral functionals with non autonomous energy densities satisfying non standard growth conditions under a sharp bound on the gap between the growth and the ellipticity exponent.

As supercomputers become larger with powerful Graphics Processing Unit (GPU), traditional direct eigensolvers struggle to keep up with the hardware evolution and scale efficiently due to communication and synchronization demands. Conversely, subspace eigensolvers, like the Chebyshev Accelerated Subspace Eigensolver (ChASE), have a simpler structure and can overcome communication and synchronization bottlenecks. ChASE is a modern subspace eigensolver that uses Chebyshev polynomials to accelerate the computation of extremal eigenpairs of dense Hermitian eigenproblems. In this work we show how we have modified ChASE by rethinking its memory layout, introducing a novel parallelization scheme, switching to a more performing communication-avoiding algorithm for one of its inner modules, and substituting the MPI library by the vendor-optimized NCCL library. The resulting library can tackle dense problems with size up to $N=\mathcal{O}(10^6)$, and scales effortlessly up to the full 900 nodes -- each one powered by 4$\times$A100 NVIDIA GPUs -- of the JUWELS Booster hosted at the J\"ulich Supercomputing Centre., Comment: 8 pages, accepted at the proceedings of ScalAH23 workshop within the SC23 conference

In the last decade, the use of Machine and Deep Learning (MDL) methods in Condensed Matter physics has seen a steep increase in the number of problems tackled and methods employed. A number of distinct MDL approaches have been employed in many different topics; from prediction of materials properties to computation of Density Functional Theory potentials and inter-atomic force fields. In many cases the result is a surrogate model which returns promising predictions but is opaque on the inner mechanisms of its success. On the other hand, the typical practitioner looks for answers that are explainable and provide a clear insight on the mechanisms governing a physical phenomena. In this work, we describe a proposal to use a sophisticated combination of traditional Machine Learning methods to obtain an explainable model that outputs an explicit functional formulation for the material property of interest. We demonstrate the effectiveness of our methodology in deriving a new highly accurate expression for the enthalpy of formation of solid solutions of lanthanides orthophosphates., Comment: 24 pages, 5 figures

In this paper, we study the regularity of weak solutions to the following strongly degenerate parabolic equation \begin{equation*} u_t-\div\left(\left(\left|Du\right|-1\right)_+^{p-1}\frac{Du}{\left|Du\right|}\right)=f\qquad\mbox{ in }\Omega_T, \end{equation*} where $\Omega$ is a bounded domain in $\mathbb{R}^{n}$ for $n\geq2$, $p\geq2$ and $\left(\,\cdot\,\right)_{+}$ stands for the positive part. We prove the higher differentiability of a nonlinear function of the spatial gradient of the weak solutions, assuming only that $f\in L^{2}_{\loc}\left(\Omega_T\right)$. This allows us to establish the higher integrability of the spatial gradient under the same minimal requirement on the datum $f$.

In this paper we prove the Lipschitz regularity for local minimizers of convex variational integrals of the form \[ \mathfrak{F}( v, \Omega )= \int_{\Omega} \! F(x, Dv(x)) \, dx, \] where, for ${n > 2}$ and $N\ge 1$, $\Omega$ is a bounded open set in $\mathbb{R}^n$, $u \in W^{1,1}(\Omega , \mathbb{R}^N)$ and the energy density $F:\Omega\times \mathbb{R}^{N \times n}\to \mathbb{R}$ satisfies the so called variable growth conditions. The main novelty of the paper is that we assume an almost critical regularity in the Orlicz Sobolev setting for the energy density as a function of the $x$ variable.

We analyze the electronic structure of topological surface states in the family of magnetic topological insulators MnBi$_{2n}$Te$_{3n+1}$. We show that, at natural-cleavage surfaces, the Dirac cone warping changes its symmetry from hexagonal to trigonal at the magnetic ordering temperature. In particular, an energy splitting develops between the surface states of same band index but opposite surface momenta upon formation of the long-range magnetic order. As a consequence, measurements of such energy splittings constitute a simple protocol to detect the magnetic ordering via the surface electronic structure, alternative to the detection of the surface magnetic gap. Interestingly, while the latter signals a nonzero surface magnetic flux, the trigonal warping predicted here is, in addition, sensitive to the direction of the surface magnetic flux.

As modern massively parallel clusters are getting larger with beefier compute nodes, traditional parallel eigensolvers, such as direct solvers, struggle keeping the pace with the hardware evolution and being able to scale efficiently due to additional layers of communication and synchronization. This difficulty is especially important when porting traditional libraries to heterogeneous computing architectures equipped with accelerators, such as Graphics Processing Unit (GPU). Recently, there have been significant scientific contributions to the development of filter-based subspace eigensolver to compute partial eigenspectrum. The simpler structure of these type of algorithms makes for them easier to avoid the communication and synchronization bottlenecks typical of direct solvers. The Chebyshev Accelerated Subspace Eigensolver (ChASE) is a modern subspace eigensolver to compute partial extremal eigenpairs of large-scale Hermitian eigenproblems with the acceleration of a filter based on Chebyshev polynomials. In this work, we extend our previous work on ChASE by adding support for distributed hybrid CPU-multi-GPU computing architectures. Our tests show that ChASE achieves very good scaling performance up to 144 nodes with 526 NVIDIA A100 GPUs in total on dense eigenproblems of size up to $360$k., Comment: Accepted for publication on the Proceedings of the PASC22 Conference

Motivated by applications to gas filtration problems, we study the regularity of weak solutions to the strongly degenerate parabolic PDE $u_{t}-\mathrm{div}\left((\vert Du\vert-\nu)_{+}^{p-1}\frac{Du}{\vert Du\vert}\right)=f$ in $\Omega_{T}=\Omega\times(0,T)$, where $\Omega$ is a bounded domain in $\mathbb{R}^{n}$ for $n\geq2$, $p\geq2$, $\nu$ is a positive constant and $\left(\,\cdot\,\right)_{+}$ stands for the positive part. Assuming that the datum $f$ belongs to a suitable Lebesgue-Sobolev parabolic space, we establish the Sobolev spatial regularity of a nonlinear function of the spatial gradient of the weak solutions, which in turn implies the existence of the weak time derivative $u_{t}$. The main novelty here is that the structure function of the above equation satisfies standard growth and ellipticity conditions only outside a ball with radius $\nu$ centered at the origin. We would like to point out that the first result obtained here can be considered, on the one hand, as the parabolic counterpart of an elliptic result established in [5], and on the other hand as the extension to a strongly degenerate context of some known results for less degenerate parabolic equations.

We prove a sharp higher differentiability result for local minimizers of functionals of the form $$\mathcal{F}\left(w,\Omega\right)=\int_{\Omega}\left[ F\left(x,Dw(x)\right)-f(x)\cdot w(x)\right]dx$$ with non-autonomous integrand $F(x,\xi)$ which is convex with respect to the gradient variable, under $p$-growth conditions, with $1

We study the higher differentiability for nonlinear elliptic equation in divergence form $\mathcal{A}(x,Du)=b(x)$. The result covers the cases in which $\mathcal{A}(x, \xi)$ satisfies $p,q$ growth, with $1