arXiv subjects

Andreas Hermann

Publications and source records attributed to Andreas Hermann.

At least 19 recordsLinked to original sources

arXiv2025

Non-local Chemistry Driven by Cation-Anion Size Disparity in Helium Inserted Compounds under High Pressure

Opposing the theory that Helium (He) cannot be inserted into AB-type ionic compounds due to the Madelung energy increase, our crystal structure search and first-principles calculations found that He can form stable compounds with sodium halides (NaX, X=Cl, Br, I) under high-pressure. These reactions are driven by the non-local chemistry arising from the cation-anion size disparity, distinctly different from the He insertion reaction with A2B-type compounds. The large size differences between Na+ and X- enable structures that can effectively host He insertions through volume and inter-atomic distance disproportionation. Furthermore, the insertion of He atoms can significantly relieve the elevated Madelung energy that builds up in NaX under high pressure. This energy increase arises from structural transitions driven by cation-anion size disparity, which are necessary for reducing volume under pressure. The insertion of He allows the reduction of the total volume under high pressure without increasing the Madelung energy. Our predicted compounds and stability analysis reveal a new example of He reactivity governed not by local chemical bond formation, but by long-range electrostatic interactions.

cond-mat.mtrl-sci↗

arXiv2025

The distinction between Ice phases VII, VIII and X

Ice phases VII, VIII and X are all based on a body-centered cubic arrangement of molecules, the differences coming from molecular orientation. There is some debate as to whether these should even be considered distinct phases. The standard definition of a transition between distinct phases involves a discontinuity in any derivative of the free energy. This can be hard to prove experimentally, and most previous theoretical works have been based on models which either have continuously differentiable free energies, or no straightforward way to determine the free energy. Here we build a free energy model based on the common definitions of the phases ; ordered ice-VIII, orientationally disordered ice VII and proton-disordered ice X. All transitions in this model might or might not be associated with a discontinuity in the specific heat, depending on paramaterization. By comparing with data, we find that a VII-X transition line exists, but it ends in a critical point hidden within the stability field of phase VIII. If the model is correct, there is a discontinuity between VII and X, so they are separate phases. We propose that the hidden phase boundary might be demonstrated experimentally by compression of supercooled ice VII.

cond-mat.stat-mech↗

arXiv2024

When can we see micromotion? Experimental and theoretical analysis of the ChiSCAT scheme

We present an in-depth analysis of ChiSCAT, a recently introduced interferometric microscopy scheme to detect recurring micromotion events in cells. Experimentally, we demonstrate that illumination with low-coherence sources can greatly improve the robustness of the scheme to vibrations. Theoretically, we analyze the performance of ChiSCAT under various noise models, in particular photon shot noise and noise dominated by cellular motions other than the signal. We finally propose ways to improve performance, especially in a setting dominated by cell motions, and conclude with an outlook on potential future directions.

physics.optics↗

arXiv2023

Domain-Specific Fine-Tuning of Large Language Models for Interactive Robot Programming

Industrial robots are applied in a widening range of industries, but robot programming mostly remains a task limited to programming experts. We propose a natural language-based assistant for programming of advanced, industrial robotic applications and investigate strategies for domain-specific fine-tuning of foundation models with limited data and compute.

cs.RO↗

arXiv2023

EfficientPPS: Part-aware Panoptic Segmentation of Transparent Objects for Robotic Manipulation

The use of autonomous robots for assistance tasks in hospitals has the potential to free up qualified staff and im-prove patient care. However, the ubiquity of deformable and transparent objects in hospital settings poses signif-icant challenges to vision-based perception systems. We present EfficientPPS, a neural architecture for part-aware panoptic segmentation that provides robots with semantically rich visual information for grasping and ma-nipulation tasks. We also present an unsupervised data collection and labelling method to reduce the need for human involvement in the training process. EfficientPPS is evaluated on a dataset containing real-world hospital objects and demonstrated to be robust and efficient in grasping transparent transfusion bags with a collaborative robot arm.

cs.RO↗

arXiv2023

HoLLiE C -- A Multifunctional Bimanual Mobile Robot Supporting Versatile Care Applications

Care robotics as a research field has developed a lot in recent years, driven by the rapidly increasing need for it. However, these technologies are mostly limited to a very concrete and usually relatively simple use case. The bimanual robot House of Living Labs intelligent Escort (HoLLiE) includes an omnidirectional mobile platform. This paper presents how HoLLiE is adapted, by flexible software and hardware modules, for different care applications. The design goal of HoLLiE was to be human-like but abstract enough to ensure a high level of acceptance, which is very advantageous for its use in hospitals. After a short retrospect of previous generations of HoLLiE, it is highlighted how the current version is equipped with a variety of additional sensors and actuators to allow a wide range of possible applications. Then, the software stack of HoLLiE is depicted, with the focus on navigation and force sensitive intention recognition.

cs.RO↗

arXiv2021

Stabilization of S3O4 at High Pressure-Implications for the Sulfur Excess Paradox

The geological conundrum of sulfur excess refers to the finding that predicted amounts of sulfur, in the form of SO2, discharged in volcanic eruptions much exceeds the sulfur available for degassing from the erupted magma. Exploring the source of the excess sulfur has been the subject of considerable interest. Here, from a systematic computational investigation of sulfur-oxygen compounds under pressure, a hitherto unknown S3O4 compound containing a mixture of sulfur oxidation states +II and +IV emerges and is predicted to be stabilized above a pressure of 79 GPa. We predict that S3O4 can be produced via multiple redox reactions involving subducted S-bearing minerals (e.g., sulfates and sulfides) at high pressure conditions relevant to the deep lower mantle, and conversely be decomposed into SO2 and S at shallow depths of Earth. Therefore, S3O4 can be considered as a key intermediate compound to promote the decomposition of sulfates to release SO2, which offers an alternative source of the excess sulfur released during explosive eruptions. These findings provide a possible resolution to the geological paradox of excess sulfur degassing and a viable mechanism for the understanding of S exchange between surface and the lower mantle for the deep sulfur cycle.

physics.comp-ph↗

arXiv2021

Localization and Tracking of User-Defined Points on Deformable Objects for Robotic Manipulation

This paper introduces an efficient procedure to localize user-defined points on the surface of deformable objects and track their positions in 3D space over time. To cope with a deformable object's infinite number of DOF, we propose a discretized deformation field, which is estimated during runtime using a multi-step non-linear solver pipeline. The resulting high-dimensional energy minimization problem describes the deviation between an offline-defined reference model and a pre-processed camera image. An additional regularization term allows for assumptions about the object's hidden areas and increases the solver's numerical stability. Our approach is capable of solving the localization problem online in a data-parallel manner, making it ideally suitable for the perception of non-rigid objects in industrial manufacturing processes.

cs.CV↗

arXiv2021

Two state model for critical points and the negative slope of the melting-curve

We present a thermodynamic model which explains the presence of a negative slope in the melt curve, as observed in systems as diverse as the alkali metals and molecular hydrogen at high pressure. We assume that components of the system can be in one of two well defined states - one associated with low energy, the other with low volume. The model exhibits a number of measurable features which are also observed in these systems and are therefore expected to be associated with all negative Clapeyron-slope systems: first order phase transitions, thermodynamic anomalies along Widom lines. The melt curve maximum is a feature of the model, but appears well below the pressures where the change in state occurs in the solid: the solid-solid transition is related to the melt line minimum. An example of the model fitted to the electride transition in potassium is discussed.

cond-mat.stat-mech↗

arXiv2020

On stable H-C-N-O compounds at high pressure

The make-up of the outer planets, and many of their moons, are dominated by matter from the H-C-N-O chemical space, commonly assumed to originate from mixtures of hydrogen and the planetary ices H$_2$O, CH$_4$, and NH$_3$. In their interiors, these ices experience extreme pressure conditions, around 5 Mbar at the Neptune mantle-core boundary, and it is expected that they undergo phase transitions, decompose, and form entirely new compounds. In turn, this determines planets' interior structure, thermal history, magnetic field generation, etc. Despite its importance, the H-C-N-O space has not been surveyed systematically. Asked simply: at high-pressure conditions, what compounds emerge within this space, and what governs their stability? Here, we report on results from an unbiased crystal structure search amongst H-C-N-O compounds at 5 Mbar to answer this question.

cond-mat.mtrl-sci↗

arXiv2020

Changes of Fermi Surface Topology due to the Rhombohedral Distortion in SnTe

Stoichiometric SnTe is theoretically a small gap semiconductor that undergoes a ferroelectric distortion on cooling. In reality however, crystals are always non-stoichiometric and metallic; the ferroelectric transition is therefore more accurately described as a polar structural transition. Here we study the Fermi surface using quantum oscillations as a function of pressure. We find the oscillation spectrum changes at high pressure, due to the suppression of the polar transition and less than 10 kbar is sufficient to stabilize the undistorted cubic lattice. This is accompanied by a large decrease in the Hall and electrical resistivity. Combined with our density functional theory (DFT) calculations and angle resolved photoemission spectroscopy (ARPES) measurements this suggests the Fermi surface $L$-pockets have lower mobility than the tubular Fermi surfaces that connect them. Also captured in our DFT calculations is a small widening of the band gap and shift in density of states for the polar phase. Additionally we find the unusual phenomenon of a linear magnetoresistance that exists irrespective of the distortion that we attribute to regions of the Fermi surface with high curvature.

cond-mat.str-el↗

arXiv2019

NESSi: The Non-Equilibrium Systems Simulation package

The nonequilibrium dynamics of correlated many-particle systems is of interest in connection with pump-probe experiments on molecular systems and solids, as well as theoretical investigations of transport properties and relaxation processes. Nonequilibrium Green's functions are a powerful tool to study interaction effects in quantum many-particle systems out of equilibrium, and to extract physically relevant information for the interpretation of experiments. We present the open-source software package NESSi (The Non-Equilibrium Systems Simulation package) which allows to perform many-body dynamics simulations based on Green's functions on the L-shaped Kadanoff-Baym contour. NESSi contains the library libcntr which implements tools for basic operations on these nonequilibrium Green's functions, for constructing Feynman diagrams, and for the solution of integral and integro-differential equations involving contour Green's functions. The library employs a discretization of the Kadanoff-Baym contour into time $N$ points and a high-order implementation of integration routines. The total integrated error scales up to $\mathcal{O}(N^{-7})$, which is important since the numerical effort increases at least cubically with the simulation time. A distributed-memory parallelization over reciprocal space allows large-scale simulations of lattice systems. We provide a collection of example programs ranging from dynamics in simple two-level systems to problems relevant in contemporary condensed matter physics, including Hubbard clusters and Hubbard or Holstein lattice models. The libcntr library is the basis of a follow-up software package for nonequilibrium dynamical mean-field theory calculations based on strong-coupling perturbative impurity solvers.

cs.CE↗

arXiv2018

Mass functions of a compact manifold

Let $M$ be a compact manifold of dimension $n$. In this paper, we introduce the {\em Mass Function} $a \geq 0 \mapsto \xp{M}{a}$ (resp. $a \geq 0 \mapsto \xm{M}{a}$) which is defined as the supremum (resp. infimum) of the masses of all metrics on $M$ whose Yamabe constant is larger than $a$ and which are flat on a ball of radius~$1$ and centered at a point $p \in M$. Here, the mass of a metric flat around~$p$ is the constant term in the expansion of the Green function of the conformal Laplacian at~$p$. We show that these functions are well defined and have many properties which allow to obtain applications to the Yamabe invariant (i.e. the supremum of Yamabe constants over the set of all metrics on $M$).

math.DG↗

arXiv2017

An Inelastic X-Ray investigation of the Ferroelectric Transition in SnTe

We report that the lowest energy transverse-optic phonon in metallic SnTe softens to near zero energy at the structural transition at $T_C=75 \text{~K}$ and importantly show that the energy of this mode below $T_C$ increases as the temperature decreases. Since the mode is a polar displacement this proves unambiguously that SnTe undergoes a ferroelectric displacement below $T_C$. Concentration gradients and imperfect stoichiometry in large crystals may explain why this was not seen in previous inelastic neutron scattering studies. Despite SnTe being metallic we find that the ferroelectric transition is similar to that in ferroelectric insulators, unmodified by the presence of conduction electrons: we find that (i) the damping of the polar mode is dominated by coupling to acoustic phonons rather than electron-phonon coupling (ii) the transition is almost an ideal continuous transition (iii) comparison with density functional calculations identifies the importance of dipolar-dipolar screening for understanding this behaviour.

cond-mat.mtrl-sci↗

arXiv2015

Mass endomorphism, surgery and perturbations

We prove that the mass endomorphism associated to the Dirac operator on a Riemannian manifold is non-zero for generic Riemannian metrics. The proof involves a study of the mass endomorphism under surgery, its behavior near metrics with harmonic spinors, and analytic perturbation arguments.

math.DG↗

arXiv2014

Zero sets of eigenspinors for generic metrics

Let $M$ be a closed connected spin manifold of dimension $2$ or $3$ with a fixed orientation and a fixed spin structure. We prove that for a generic Riemannian metric on $M$ the non-harmonic eigenspinors of the Dirac operator are nowhere zero. The proof is based on a transversality theorem and the unique continuation property of the Dirac operator.

math.DG↗

arXiv2014

About the mass of certain second order elliptic operators

Let $(M,g)$ be a closed Riemannian manifold of dimension $n \geq 3$ and let $f\in C^{\infty}(M)$, such that the operator $P_f:= Δ_g+f$ is positive. If $g$ is flat near some point $p$ and $f$ vanishes around $p$, we can define the mass of $P_f$ as the constant term in the expansion of the Green function of $P_f$ at $p$. In this paper, we establish many results on the mass of such operators. In particular, if $f:= \frac{n-2}{4(n-1)} \scal_g$, i.e. if $P_f$ is the Yamabe operator, we show the following result: assume that there exists a closed simply connected non-spin manifold $M$ such that the mass is non-negative for every metric $g$ as above on $M$, then the mass is non-negative for every such metric on every closed manifold of the same dimension as $M$.

math.DG↗

arXiv2012

Dirac eigenspinors for generic metrics

We consider a Riemannian spin manifold (M,g) with a fixed spin structure. The zero sets of solutions of generalized Dirac equations on M play an important role in some questions arising in conformal spin geometry and in mathematical physics. In this setting the mass endomorphism has been defined as the constant term in an expansion of Green's function for the Dirac operator. One is interested in obtaining metrics, for which it is not zero. In this thesis we study the dependence of the zero sets of eigenspinors of the Dirac operator on the Riemannian metric. We prove that on closed spin manifolds of dimension 2 or 3 for a generic Riemannian metric the non-harmonic eigenspinors have no zeros. Furthermore we prove that on closed spin manifolds of dimension 3 the mass endomorphism is not zero for a generic Riemannian metric.

math.DG↗