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Cc statt Bcc: Datenpanne um Aufarbeitung von Missbrauch in englischer Kirche
In England soll es für Missbrauchsopfer der Kirche eine Wiedergutmachung geben. Informationen dazu kamen per E-Mail. Dabei gab es jetzt eine schwere Panne.

Cc statt Bcc: Datenpanne um Aufarbeitung von Missbrauch in englischer Kirche
In England soll es für Missbrauchsopfer der Kirche eine Wiedergutmachung geben. Informationen dazu kamen per E-Mail. Dabei gab es jetzt eine schwere Panne.

Lattice distortions and non-sluggish diffusion in BCC refractory high entropy alloys
Jingfeng Zhang, Xiang Xu, Fritz K\"ormann, Wen Yin, Xi Zhang, Christian Gadelmeier, Uwe Glatzel, Blazej Grabowski, Runxia Li, Gang Liu, Biao Wang, Gerhard Wilde, Sergiy V. Divinski
https://arxiv.org/abs/2508.15558…

Lattice distortions and non-sluggish diffusion in BCC refractory high entropy alloys
Refractory high-entropy alloys (RHEAs) have emerged as promising candidates for extreme high-temperature applications, for example, in next-generation turbines and nuclear reactors. In such applications, atomic diffusion critically governs essential properties including creep resistance and microstructural stability. The present study systematically investigates impurity diffusion of Co, Mn, and Zn in single phase (BCC solid solution) HfTiZrNbTa and HfTiZrNbV RHEAs applying the radiotracer tech…

Asymptotic size of the Karp-Sipser Core in Configuration Model
Arnab Chatterjee, Joon Hyung Lee, Haodong Zhu
https://arxiv.org/abs/2508.19453 https://arxiv…

Asymptotic size of the Karp-Sipser Core in Configuration Model
We study the asymptotic size of the Karp-Sipser core in the configuration model with arbitrary degree distributions. The Karp-Sipser core is the induced subgraph obtained by iteratively removing all leaves and their neighbors through the leaf-removal process, and finally discarding any isolated vertices \cite{BCC}. Our main result establishes the convergence of the Karp-Sipser core size to an explicit fixed-point equation under general degree assumptions.The approach is based on analyzing the c…

Model-Based Testing of an Intermediate Verifier Using Executable Operational Semantics
Lidia Losavio, Marco Paganoni, Carlo A. Furia
https://arxiv.org/abs/2508.17895 https://

Model-Based Testing of an Intermediate Verifier Using Executable Operational Semantics
Lightweight validation technique, such as those based on random testing, are sometimes practical alternatives to full formal verification -- providing valuable benefits, such as finding bugs, without requiring a disproportionate effort. In fact, they can be useful even for fully formally verified tools, by exercising the parts of a complex system that go beyond the reach of formal models. In this context, this paper introduces BCC: a model-based testing technique for the Boogie intermediate v…

CarAT: Carbon Atom Tracing across Industrial Chemical Value Chains via Chemistry Language Models
Emma Pajak, David Walz, Olga Walz, Laura Marie Helleckes, Klaus Hellgardt, Antonio del Rio Chanona
https://arxiv.org/abs/2508.10216

CarAT: Carbon Atom Tracing across Industrial Chemical Value Chains via Chemistry Language Models
The chemical industry is increasingly prioritising sustainability, with a focus on reducing carbon footprints to achieve net zero. By 2026, the Together for Sustainability (TfS) consortium will require reporting of biogenic carbon content (BCC) in chemical products, posing a challenge as BCC depends on feedstocks, value chain configuration, and process-specific variables. While carbon-14 isotope analysis can measure BCC, it is impractical for continuous industrial monitoring. This work presents…

Laser-induced ultrafast structural transformations in thin Fe layer revealed by time-resolved X-ray diffraction
O. Liubchenko, J. Antonowicz, K. Sokolowski-Tinten, P. Zalden, R. Minikayev, I. Milov, T. J. Albert, C. Bressler, M. Chojnacki, P. D{\l}u\.zewski, P. Dzi\k{e}gielewski, A. Rodriguez-Fernandez, K. Fronc, W. Gawe{\l}da, K. Georgarakis, A. L. Greer, I. Jacyna, R. W. E. van de Kruijs, R. Kami\'nski, D. Khakhulin, D. Klinger, K. Kosyl, K. Kubicek, A. Olczak, N. T. Panagiotopou…

Laser-induced ultrafast structural transformations in thin Fe layer revealed by time-resolved X-ray diffraction
The ultrafast response of iron lattice to sub-ps pulsed laser-induced heating has been investigated using time-resolved XRD in the partial melting regime. Strong electron-phonon coupling in Fe leads to rapid heating within 1-2 ps post laser-irradiation, followed by lattice expansion and melting on the 2-5 ps timescale. A tetragonal distortion of the remaining bcc-phase emerges at 6 ps and the unit-cell volume increases up to a value characteristic for the bcc-Fe phase. Under the experimental co…

How Soft is Too Soft? Tuning Order and Disorder in Dimeric Core-Soft Colloids with Bond Flexibility
Leandro B. Krott, Davi Felipe Kray Silva, A. de J. R\'ios-Roldan, Victor M. Trejos, J. Antonio Moreno-Razo, Jos\'e Rafael Bordin
https://arxiv.org/abs/2507.18377

How Soft is Too Soft? Tuning Order and Disorder in Dimeric Core-Soft Colloids with Bond Flexibility
We employ molecular dynamics simulations to explore how internal flexibility affects phase transitions in soft-matter systems composed of dimers interacting via a core-softened potential with two characteristic length scales. Monomers are connected by harmonic springs with varying stiffness, allowing us to tune the dimer rigidity from highly flexible to nearly rigid. Flexible dimers reproduce the behavior of monomeric systems, displaying well-defined BCC and HCP crystalline phases separated by …

Quantum Monte Carlo simulation of light and superlight bipolarons in extended Hubbard-Holstein models on face- and body-centered-cubic lattices
G. D. Adebanjo, J. P. Hague, P. E. Kornilovitch
https://arxiv.org/abs/2507.17398

Quantum Monte Carlo simulation of light and superlight bipolarons in extended Hubbard-Holstein models on face- and body-centered-cubic lattices
Superlight pairing of bipolarons driven by electron-phonon interactions (EPIs) in face-center-cubic (FCC) and body-center-cubic (BCC) lattices is investigated using a continuous-time path-integral quantum Monte Carlo (QMC) algorithm. The EPIs are of the Holstein and extended Holstein types, and a Hubbard interaction is also included. The number of phonons associated with the bipolaron, inverse mass, and radius are calculated and used to construct a phase diagram for bipolaron pairing (identifyi…

On the adsorption of oxygen to high entropy alloy surfaces up to 2ML coverage using Density Functional Theory and Monte Carlo calculations
Tyler D. Dole\v{z}al, Adib J. Samin
https://arxiv.org/abs/2507.20084

On the adsorption of oxygen to high entropy alloy surfaces up to 2ML coverage using Density Functional Theory and Monte Carlo calculations
To enhance our understanding of oxidation in high-entropy alloys, the early stages of oxidation on the surface of Al10Nb15Ta5Ti30Zr40 were studied using density functional theory and thermodynamic modeling. Surface slabs were generated from bulk configurations sampled from equilibrium using a multicell Monte Carlo method for phase prediction. The bulk structure was found to be a single BCC phase in good agreement with experimental observations. The oxygen adsorbed with a strong preference for s…

On the Relationship and Distinction Between Atomic Density and Coordination Number in Describing Grain Boundaries
Reza Darvishi Kamachali, Theophilus Wallis
https://arxiv.org/abs/2508.16808

On the Relationship and Distinction Between Atomic Density and Coordination Number in Describing Grain Boundaries
Crystal defects are often rationalized through broken-bond counting via the nearest neighbor coordination number. In this work, we highlight that this perspective overlooks intrinsic heterogeneities in interatomic spacing that decisively shape defect properties. We analyze excess free volume, energy, and entropy for a large set of BCC-Fe grain boundaries relaxed by molecular statics and demonstrate that an atomic-density field, as a systematically coarse-grained field variable, provides a more …

A molecular dynamics investigation of the dependence of mechanical properties of steel nanowires on C concentration
J. K. Liyanage, M. D. Nadeesha Tharundi, Laalitha S. I. Liyanage
https://arxiv.org/abs/2507.10751

A molecular dynamics investigation of the dependence of mechanical properties of steel nanowires on C concentration
The temperature dependence of mechanical properties of steel nanowires with varying carbon content was studied using molecular dynamics simulations. Four interatomic potentials were assessed, with the Modified Embedded Atom Method (MEAM) potential developed by Liyanage et al. selected for its accuracy in predicting the behavior of BCC Fe, FeC in the B1 rock salt structure, and BCC iron with carbon. Uniaxial tensile tests were conducted on FeC nanowires with carbon concentrations of 0-10% at tem…

External magnetic field suppression of carbon diffusion in iron
Luke J. Wirth (Department of Materials Science,Engineering, University of Illinois, Urbana-Champaign, Illinois, USA), Dallas R. Trinkle (Department of Materials Science,Engineering, University of Illinois, Urbana-Champaign, Illinois, USA)
https://arxiv.org/abs/2507.…

External magnetic field suppression of carbon diffusion in iron
External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at high temperatures and with field. Our model reproduces the measured suppression of diffusivity from field. We find that increasing magnetic disorder flattens the electron density of states compared with the ferromagnetic case, which distorts the octahedral cages…