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We use a novel real-time formulation of the functional renormalization group (FRG) for dynamical systems with reversible mode couplings to study Model H, the conjectured dynamic universality class of the QCD critical point. We emphasize the structural similarities with Model G, conjectured to be the dynamic universality class of the chiral phase transition in the limit of two massless quark flavors. Importantly, our formulation of the real-time FRG preserves all relevant symmetries throughout the FRG flow which, e.g., guarantees the non-renormalization of the reversible mode couplings, as but one exact result. We derive non-perturbative RG flow equations for the kinetic coefficients of both, Model G and H, in parallel, and discuss commonalities and differences in the resulting fixed-point structure and dynamic critical exponents, such as weak-scaling relations which hold in either case versus the characteristic strong scaling of Model G which is absent in Model H., Comment: 8 pages, 1 figure

In the chiral limit the complicated many-body dynamics around the second-order chiral phase transition of two-flavor QCD can be understood by appealing to universality. We present a novel formulation of the real-time functional renormalization group that describes the stochastic hydrodynamic equations of motion for systems in the same dynamic universality class, which corresponds to Model G in the Halperin-Hohenberg classification. Our approach preserves all relevant symmetries of such systems with reversible mode couplings. We show that the calculations indeed produce the non-trivial value $z=d/2$ for the dynamic critical exponent, where $d$ is the number of spatial dimensions. From the momentum and temperature dependence of the diffusion coefficient of the conserved charge densities, we extract the dimensionless universal scaling function., Comment: 80 pages, 13 figures

We present first calculations of critical spectral functions of the relaxational Models A, B, and C in the Halperin-Hohenberg classification using a real-time formulation of the functional renormalization group (FRG). We revisit the prediction by Son and Stephanov that the linear coupling of a conserved density to the non-conserved order parameter of Model A gives rise to critical Model-B dynamics. We formulate both 1-loop and 2-loop self-consistent expansion schemes in the 1PI vertex functions as truncations of the effective average action suitable for real-time applications, and analyze in detail how the different critical dynamics are properly incorporated in the framework of the FRG on the closed-time path. We present results for the corresponding critical spectral functions, extract the dynamic critical exponents for Models A, B, and C, in two and three spatial dimensions, respectively, and compare the resulting values with recent results from the literature., Comment: 52 pages, 9 figures

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

In this paper we develop and compare different real-time methods to calculate spectral functions. These are classical-statistical simulations, the Gaussian state approximation (GSA), and the functional renormalization group (FRG) formulated on the Keldysh closed-time path. Our test-bed system is the quartic anharmonic oscillator, a single self-interacting bosonic degree of freedom, coupled to an external heat bath providing dissipation analogous to the Caldeira-Leggett model. As our benchmark we use the spectral function from exact diagonalization with constant Ohmic damping. To extend the GSA for the open system, we solve the corresponding Heisenberg-Langevin equations in the Gaussian approximation. For the real-time FRG, we introduce a novel general prescription to construct causal regulators based on introducing scale-dependent fictitious heat baths. Our results explicitly demonstrate how the discrete transition lines of the quantum system gradually build up the broad continuous structures in the classical spectral function as temperature increases. At sufficiently high temperatures, classical, GSA and exact-diagonalization results all coincide. The real-time FRG is able to reproduce the effective thermal mass, but overestimates broadening and only qualitatively describes higher excitations, at the present order of our combined vertex and loop expansion. As temperature is lowered, the GSA follows the ensemble average of the exact solution better than the classical spectral function. In the low-temperature strong-coupling regime, the qualitative features of the exact result are best captured by our real-time FRG calculation, with quantitative improvements to be expected at higher truncation orders., Comment: 35 pages, 8 figures, revised version accepted for publication in PRD

Irradiating materials with ultra-short laser pulses generates unwanted shock waves which distort the interesting physics. Advanced boundary conditions are presented to erase even very strong shock waves. Depending on the wave length, laser light which leads to ablation may penetrate very deep into the sample. Connection conditions are presented to consistently couple atomistics and continuum description of the sample even at high temperatures together with a discussion of the temperature definition.

Laser ablation of Al-Ni alloys and Al films on Ni substrates has been studied by molecular dynamics simulations (MD). The MD method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons and the atoms. The challenge for alloys and mixtures is to find the electronic parameters: electron heat conductivity, electron heat capacity and electron-phonon coupling parameter. The challenge for layered systems is to run simulations of an inhomogeneous system which requires modification of the simulation code. Ablation and laser-induced melting was studied for several Al-Ni compounds. At low fluences above the threshold ordinary ablation behavior occurred while at high fluences the ablation mechanism changed in Al$_3$Ni and AlNi$_3$ from phase explosion to vaporization. Al films of various thicknesses on a Ni substrate have also been simulated. Above threshold, 8 nm Al films are ablated as a whole while 24 nm Al films are only partially removed. Below threshold, alloying with a mixture gradient has been observed in the thin layer system.

Force matching is an established technique to generate effective potentials for molecular dynamics simulations from first-principles data. This method has been implemented in the open source code potfit. Here, we present a review of the method and describe the main features of the code. Particular emphasis is placed on the features added since the initial release: interactions represented by analytical functions, differential evolution as optimization method, and a greatly extended set of interaction models. Beyond the initially present pair and embedded-atom method potentials, potfit can now also optimize angular dependent potentials, charge and dipolar interactions, and electron-temperature-dependent potentials. We demonstrate the functionality of these interaction models using three example systems: phonons in type I clathrates, fracture of {\alpha}-alumina, and laser-irradiated silicon., Comment: 18 pages, 4 figures. Force Fields 2014, IAS FZ J\"ulich. v3: Added text and references v2: Updated references