arXiv subjects

Tobias Kramer

Publications and source records attributed to Tobias Kramer.

At least 19 recordsLinked to original sources

arXiv2026

Probing Non-equilibrium baths: Frequency-Resolved Thermometry and Quantum Heat Current Turnover

Quantum heat transport for non-equilibrium steady state (NESS) exhibits a characteristic turnover effect, where the heat current reaches a maximum and subsequently declines as system-bath coupling increases. Although numerically exact methods can simulate this non-monotonic behavior, they offer limited information on the thermal state of the heat baths. Here, we introduce a frequency-selective thermometric protocol to probe the baths sustaining an NESS. By extracting a frequency-resolved effective temperature spectrum using a tunable two-level probe, we demonstrate that spectral dispersion serves as a direct witness for the non-equilibrium state of the heat baths. To demonstrate the protocol, we applied the hierarchical equations of motion to spin-boson and two-qubit models, though any exact method can be used. For both models, the turnover effect can be explained by how the thermal state of the heat baths evolves as the system-bath coupling strength increases.

quant-ph↗

arXiv2026

Pulsar scintillation arcs formed from correlated volume scattering

Radio waves propagating through the interstellar medium are influenced by variations in plasma density. For spatially localised plasma structures along the line of sight, time-delay Doppler analyses of pulsars often reveal scintillation arcs in the secondary spectrum, frequently exhibiting a parabolic morphology. In the thin-screen approximation, the arc curvature is commonly used to infer the distance to the plasma concentration, which is modelled - via Kirchhoff-Fresnel diffraction theory - as an effective phase screen imposed by the column density of a localised disturbance. Here, we identify several limitations of this model that necessitate a fully three-dimensional treatment, without reducing the problem to a projected screen density. When volume propagation is considered, asymmetries and a richer variety of features emerge in the secondary spectrum compared to those predicted by the thin-screen approximation. For some cases the arc curvature varies depending on the three-dimensional structure of the plasma, rendering it a less reliable indicator of distance. We conjecture that these phenomena are linked to the onset of branched flow produced by a sequence of weak but correlated scattering events.

astro-ph.HE↗

arXiv2025

Rotation dynamics and torque efficiency of cometary nuclei

The dynamics of a rigid cometary nucleus is described by the evolutions of its center-of-mass and of its rotation state. Solar irradiation that reaches the surface of a cometary nucleus causes the sublimation of volatiles that form the coma around the nucleus. The sublimation process transfers linear momentum and rotational angular momentum from the nucleus to the surrounding space, and thus affects the dynamics via nongravitational forces and nongravitational torques. The 2014-2016 Rosetta mission accompanying the comet 67P/Churyumov-Gerasimenko provides the longest continuous observational data to track its rotation state. The observed change in the rotation state is not explained by a low heat conductivity thermophysical model in combination with a homogeneous surface ice coverage of comet 67P. Spatially and/or temporally varying weights for effective active fraction with respect to a prescribed set of surface regions provide a potential solution to this problem. Here, we present a methodology for classifying the surface based on vectorial efficiency of the torque. On any cometary surface without geometric symmetry, the methodology highlights the decomposition into eight characteristic regions that encode the signs of torque efficiency with respect to all vector components. We analyze in detail rotation states close to lowest energy and different thermophysical models, and we discuss how the uncertainties of observations affect the model parameters. We study the occurrence of these regions for an oblate ellipsoid, a near-prolate ellipsoid, a bilobed shape, and a shape model analogous to that of comet 67P. The sensitivity analysis for comet 67P indicates that the observations constrain only one of the eight weights uniquely. The other directions are poorly constrained and show the limitation of the rotational data in determining regional activity.

astro-ph.EP↗

arXiv2024

Scattering model of scintillation arcs in pulsar secondary spectra

The dynamic spectra of pulsars frequently exhibit diverse interference patterns, often associated with parabolic arcs in the Fourier-transformed (secondary) spectra. Our approach differs from previous ones in two ways: first, we extend beyond the traditional Fresnel-Kirchhoff method by using the Green's function of the Helmholtz equation, i.e.\ we consider spherical waves originating from three dimensional space, not from a two dimensional screen. Secondly, the discrete structures observed in the secondary spectrum result from discrete scatterer configurations, namely plasma concentrations in the interstellar medium, and not from the selection of points by the stationary phase approximation. Through advanced numerical techniques, we model both the dynamic and secondary spectra, providing a comprehensive framework that describes all components of the latter spectra in terms of physical quantities. Additionally, we provide a thorough analytical explanation of the secondary spectrum.

astro-ph.HE↗

arXiv2024

Open quantum system simulation of time and frequency resolved spectroscopy

The dynamics of excitonic energy transfer in molecular complexes triggered by interaction with laser pulses offers a unique window into the underlying physical processes. The absorbed energy moves through the network of interlinked pigments and in photosynthetic complexes reaches a reaction center. The efficiency and time-scale depend not only on the excitonic couplings, but are also affected by the dissipation of energy to vibrational modes of the molecules. An open quantum system description provides a suitable tool to describe the involved processes and connects the decoherence and relaxation dynamics to measurements of the time-dependent polarization.

quant-ph↗

arXiv2023

The ice composition close to the surface of comet 67P/Churyumov-Gerasimenko

The relation between ice composition in the nucleus of comet 67P/Churyumov-Gerasimenko on the one hand and relative abundances of volatiles in the coma on the other hand is important for the interpretation of density measurements in the environment of the cometary nucleus. For the 2015 apparition, in situ measurements from the two ROSINA (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis) sensors COPS (COmet Pressure Sensor) and DFMS (Double Focusing Mass Spectrometer) determined gas densities at the spacecraft position for the 14 gas species H2O, CO2, CO, H2S, O2, C2H6, CH3OH, H2CO, CH4, NH3, HCN, C2H5OH, OCS, and CS2. We derive the spatial distribution of the gas emissions on the complex shape of the nucleus separately for 50 subintervals of the two-year mission time. The most active patches of gas emission are identified on the surface. We retrieve the relation between solar irradiation and observed emissions from these patches. The emission rates are compared to a minimal thermophysical model to infer the surface active fraction of H2O and CO2. We obtain characteristic differences in the ice composition close to the surface between the two hemispheres with a reduced abundance of CO2 ice on the northern hemisphere (locations with positive latitude). We do not see significant differences for the ice composition on the two lobes of 67P/C-G.

astro-ph.EP↗

arXiv2020

The gas production of 14 species from comet 67P/Churyumov-Gerasimenko based on DFMS/COPS data from 2014-2016

The coma of comet 67P/Churyumov-Gerasimenko has been probed by the Rosetta spacecraft and shows a variety of different molecules. The ROSINA COmet Pressure Sensor and the Double Focusing Mass Spectrometer provide in-situ densities for many volatile compounds including the 14 gas species H2O, CO2, CO, H2S, O2, C2H6, CH3OH, H2CO, CH4, NH3, HCN, C2H5OH, OCS, and CS2. We fit the observed densities during the entire comet mission between August 2014 and September 2016 to an inverse coma model. We retrieve surface emissions on a cometary shape with 3996 triangular elements for 50 separated time intervals. For each gas we derive systematic error bounds and report the temporal evolution of the production, peak production, and the time-integrated total production. We discuss the production for the two lobes of the nucleus and for the northern and southern hemispheres. Moreover we provide a comparison of the gas production with the seasonal illumination.

astro-ph.EP↗

arXiv2020

Transient capture of electrons in magnetic fields, or: comets in the restricted three-body problem

The motion of celestial bodies in astronomy is closely related to the orbits of electrons encircling an atomic nucleus. Bohr and Sommerfeld presented a quantization scheme of the classical orbits to analyze the eigenstates of the hydrogen atom. Here we discuss another close connection of classical trajectories and quantum mechanical states: the transient dynamics of objects around a nucleus. In this setup a comet (or an electron) is trapped for a while in the vicinity of an parent object (Jupiter or an atomic nucleus), but eventually escapes after many revolutions around the center of attraction.

nlin.CD↗

arXiv2019

Effect of disorder and polarization sequences on two-dimensional spectra of light harvesting complexes

Two-dimensional electronic spectra (2DES) provide unique ways to track the energy transfer dynamics in light-harvesting complexes. The interpretation of the peaks and structures found in experimentally recorded 2DES is often not straightforward, since several processes are imaged simultaneously. The choice of specific pulse polarization sequences helps to disentangle the sometimes convoluted spectra, but brings along other disturbances. We show by detailed theoretical calculations how 2DES of the Fenna-Matthews-Olson complex are affected by rotational and conformational disorder of the chromophores.

physics.bio-ph↗

arXiv2019

Branched Flow

In many physical situations involving diverse length scales, waves or rays representing them travel through media characterized by spatially smooth, random, modest refactive index variations. "Primary" diffraction (by individual sub-wavelength features) is absent. Eventually the weak refraction leads to imperfect focal "cusps". Much later, a statistical regime characterized by momentum diffusion is manifested. An important intermediate regime is often overlooked, one that is diffusive only in an ensemble sense. Each realization of the ensemble possesses dramatic ray limit structure that guides the waves (in the same sense that ray optics is used to design lens systems). This structure is a universal phenomenon called branched flow. Many important phenomena develop in this intermediate regime. Here we give examples and some of the physics of this emerging field.

physics.class-ph↗

arXiv2019

Outgassing induced acceleration of comet 67P/Churyumov-Gerasimenko

Cometary activity affects the orbital motion and rotation state due to sublimation induced forces. The availability of precise rotation-axis orientation and position data from the Rosetta mission allows one to accurately determine the outgassing of comet Churyumov-Gerasimenko/67P. We derive the observed non-gravitational acceleration of 67P directly from the Rosetta spacecraft trajectory. From the non-gravitational acceleration we recover the diurnal outgassing variations and study a possible delay of the sublimation response with respect to the peak solar illumination. This allows us to compare the non-gravitational acceleration of 67P with expectations based on empirical models and common assumptions about the sublimation process. We use an iterative orbit refinement and Fourier decomposition of the diurnal activity to derive the outgassing induced non-gravitational acceleration. The uncertainties of the data reduction are established by a sensitivity analysis of an ensemble of best-fit orbits for comet 67P. We find that the Marsden non-gravitational acceleration parameters reproduce part of the non-gravitational acceleration but need to be augmented by an analysis of the nucleus geometry and surface illumination to draw conclusions about the sublimation process on the surface. The non-gravitational acceleration follows closely the subsolar latitude (seasonal illumination), with a small lag angle with respect to local noon around perihelion. The observed minor changes of the rotation axis do not favour forced precession models for the non-gravitational acceleration. In contrast to the sublimation induced torques, the non-gravitational acceleration does not put strong constraints on localized active areas on the nucleus. We find a close agreement of the orbit deduced non-gravitational acceleration and the water production independently derived from Rosetta in-situ measurement.

astro-ph.EP↗

arXiv2018

Machine Learning of Two-Dimensional Spectroscopic Data

Two-dimensional electronic spectroscopy has become one of the main experimental tools for analyzing the dynamics of excitonic energy transfer in large molecular complexes. Simplified theoretical models are usually employed to extract model parameters from the experimental spectral data. Here we show that computationally expensive but exact theoretical methods encoded into a neural network can be used to extract model parameters and infer structural information such as dipole orientation from two dimensional electronic spectra (2DES) or reversely, to produce 2DES from model parameters. We propose to use machine learning as a tool to predict unknown parameters in the models underlying recorded spectra and as a way to encode computationally expensive numerical methods into efficient prediction tools. We showcase the use of a trained neural network to efficiently compute disordered averaged spectra and demonstrate that disorder averaging has non-trivial effects for polarization controlled 2DES.

physics.chem-ph↗

arXiv2018

Comet 67P/Churyumov-Gerasimenko rotation changes derived from sublimation induced torques

(Context) The change of the rotation period and the orientation of the rotation axis of comet 67P/Churyumov-Gerasimenko (67P/C-G) is deducible from images taken by the scientific imaging instruments on-board the Rosetta mission with high precision. Non gravitational forces are a natural explanation for these data. (Aims) We describe observed changes for the orientation of the rotation axis and the rotation period of 67P/C-G. For these changes we give an explanation based on a sublimation model with a best-fit for the surface active fraction (model P). Torque effects of periodically changing gas emissions on the surface are considered. (Methods) We solve the equation of state for the angular momentum in the inertial and the body-fixed frames and provide an analytic theory of the rotation changes in terms of Fourier coefficients, generally applicable to periodically forced rigid body dynamics. (Results) The torque induced changes of the rotation state constrain the physical properties of the surface, the sublimation rate and the local active fraction of the surface. (Conclusions) We determine a distribution of the local surface active fraction in agreement with the rotation properties, period and orientation, of 67P/C-G. The torque movement confirms that the sublimation increases faster than the insolation towards perihelion. The derived relatively uniform activity pattern is discussed in terms of related surface features.

astro-ph.EP↗

arXiv2018

Modeling of Transient Absorption Spectra in Exciton Charge-Transfer Systems

Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop numerical exact theoretical models. The finite duration of the laser-molecule interactions and the reorganization process during the exciton migration affect the location and strength of spectroscopic signals. We show that the non-perturbative hierarchical equations of motion (HEOM) method captures these processes in a model exciton system, including the charge transfer state.

physics.chem-ph↗

arXiv2018

Surface localization of gas sources on comet 67P/Churyumov-Gerasimenko based on DFMS/COPS data

We reconstruct the temporal evolution of the source distribution for the four major gas species H2O, CO2, CO, and O2 on the surface of comet 67P/Churyumov-Gerasimenko during its 2015 apparition. The analysis applies an inverse coma model and fits to data between August 6th 2014 and September 5th 2016 measured with the Double Focusing Mass Spectrometer (DFMS) of the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) and the COmet Pressure Sensor (COPS). The spatial distribution of gas sources with their temporal variation allows one to construct surface maps for gas emissions and to evaluate integrated productions rates. For all species peak production rates and integrated productions rates per orbit are evaluated separately for the northern and the southern hemisphere. The nine most active emitting areas on the comet's surface are defined and their correlation to emissions for each of the species is discussed.

astro-ph.EP↗

arXiv2018

Energy flow in the Photosystem I supercomplex: comparison of approximative theories with DM-HEOM

We analyze the exciton dynamics in PhotosystemI from Thermosynechococcus elongatus using the distributed memory implementation of the hierarchical equation of motion (DM-HEOM) for the 96 Chlorophylls in the monomeric unit. The exciton-system parameters are taken from a first principles calculation. A comparison of the exact results with Foerster rates and Markovian approximations allows one to validate the exciton transfer times within the complex and to identify deviations from approximative theories. We show the optical absorption, linear, and circular dichroism spectra obtained with DM-HEOM and compare them to experimental results.

physics.chem-ph↗

arXiv2018

Efficient calculation of open quantum system dynamics and time-resolved spectroscopy with Distributed Memory HEOM (DM-HEOM)

Time- and frequency resolved optical signals provide insights into the properties of light harvesting molecular complexes, including excitation energies, dipole strengths and orientations, as well as in the exciton energy flow through the complex. The hierarchical equations of motion (HEOM) provide a unifying theory, which allows one to study the combined effects of system-environment dissipation and non-Markovian memory without making restrictive assumptions about weak or strong couplings or separability of vibrational and electronic degrees of freedom. With increasing system size the exact solution of the open quantum system dynamics requires memory and compute resources beyond a single compute node. To overcome this barrier, we developed a scalable variant of HEOM. Our distributed memory HEOM, DM-HEOM, is a universal tool for open quantum system dynamics. It is used to accurately compute all experimentally accessible time- and frequency resolved processes in light harvesting molecular complexes with arbitrary system-environment couplings for a wide range of temperatures and complex sizes.

physics.chem-ph↗

arXiv2018

Dust and gas emission from cometary nuclei: the case of comet 67P/Churyumov-Gerasimenko

Comets display with decreasing solar distance an increased emission of gas and dust particles, leading to the formation of the coma and tail. Spacecraft missions provide insight in the temporal and spatial variations of the dust and gas sources located on the cometary nucleus. For the case of comet 67P/Churyumov-Gerasimenko (67P/C-G), the long-term observations from the Rosetta mission point to a homogeneous dust emission across the entire illuminated surface. Despite the homogeneous initial distribution, a collimation in jet-like structures becomes visible. We propose that this observation is linked directly to the complex shape of the nucleus and projects concave topographical features into the dust coma. To test this hypothesis, we put forward a gas-dust description of 67P/C-G, where gravitational and gas forces are accurately determined from the surface mesh and the rotation of the nucleus is fully incorporated. The emerging jet-like structures persist for a wide range of gas-dust interactions and show a dust velocity dependent bending.

astro-ph.EP↗