DAMASK: The Düsseldorf Advanced MAterial Simulation Kit for studying crystal plasticity using an FE based or a spectral numerical solver

AbstractThe solution of a continuum mechanical boundary value problem requires a constitutive response that connects deformation and stress at each material point. Such connection can be regarded as three separate hierarchical problems. At the top-most level, partitioning of the (mean) boundary values of the material point among its microstructural constituents and the associated homogenization of their response is required, provided there is more than one constituent present. Second, based on an elastoplastic decomposition of (finite strain) deformation, these responses follow from explicit or implicit time integration of the plastic deformation rate per constituent. Third, to establish the latter, a state variable-based constitutive law needs to be interrogated and its state updated.The Düsseldorf Advanced MAterial Simulation Kit (DAMASK) reflects this hierarchy as it is built in a strictly modular way. This modular structure makes it easy to add additional constitutive models as well as homogenization schemes. Moreover it interfaces with a number of FE solvers as well as a spectral solver using an FFT.We demonstrate the versatility of such a modular framework by considering three scenarios: Selective refinement of the constitutive material description within a single geometry, component-scale forming simulations comparing di_erent homogenization schemes, and comparison of representative volume element simulations based on the FEM and the spectral solver

Parasympathetic Reactivity in Fibromyalgia and Temporomandibular Disorder: Associations With Sleep Problems, Symptom Severity, and Functional Impairment

Despite evidence of autonomic disturbances in chronic multi-symptom illnesses such as temporomandibular joint disorder (TMD) and fibromyalgia (FM), additional work is needed to characterize the role of parasympathetic reactivity in these disorders. Given the high levels of comorbidity with psychiatric disorders characterized by stronger parasympathetic reductions than controls in safe contexts (leading to higher arousal), it was hypothesized that individuals with TMD and FM would respond similarly. In this preliminary investigation, 43 women with TMD (n = 17), TMD + FM (n = 11), or neither (controls; n = 15) completed a baseline assessment of respiratory sinus arrhythmia (RSA; a measure of parasympathetic activity) followed by ongoing parasympathetic assessment during a questionnaire period. As predicted, patients showed greater parasympathetic decline in response to the questionnaire period, suggesting an autonomic stance that supports defensive rather than engagement behaviors. Individual differences in parasympathetic reduction during the questionnaire period were related to a variety of physical and psychosocial variables. Although this study has a number of key limitations, including a convenience sampling approach and the small group sizes, if replicated in larger samples, the findings would have important implications for the treatment of patients with these disorders

Effect of strain rate on tensile mechanical properties of high-purity niobium single crystals for SRF applications

An investigation of the mechanical properties of high-purity niobium single crystals is presented. Specimens were cut with different crystallographic orientations from a large grain niobium disk and uniaxial tensile tests were conducted at strain rates between 10-4 and 103 s-1. The logarithmic strain rate sensitivity for crystals oriented close to the center of a tensile axis inverse pole figure (IPF) is ~0.14 for all strain rates. The strain at failure (ranging from 0.4 to 0.9) is very sensitive to crystal orientation and maximal at ~10-2 s-1 for crystals oriented close to the center of an IPF. The high anisotropy observed at quasi-static strain rates decreased with increasing strain rate. The activation of multiple slip systems in the dynamic tests could account for this reduction in anisotropy. A transition from strain hardening to softening in the plastic domain was observed at strain rates greater than approximately 6 × 10-2 s-1 for crystals oriented close to the center of a tensile axis IPF. Shear bands were observed in specimens with orientations having similarly high Schmid factors on both {110} and {112} slip families, and they are correlated with reduced ductility. Crystal rotations at fracture are compared for the different orientations using scanning electron microscopy images and EBSD orientation maps. A rotation toward the terminal stable [101] orientation was measured for the majority of specimens (with tensile axes more than ~17° from the [001] direction) at strain rates between 1.28 × 10-2 and 1000 s-1.The authors would like to acknowledge the work of CERN's Materials, Metrology and Non-Destructive Testing (EN-MME-MM) section for granting access to their equipment for specimen preparation and scanning electron microscope (SEM) analyses. The authors would also like to thank Mr. Larry Vladic of Elite Motion LLC for lending us the high-speed camera during the high strain rate tests performed ASU. This Marie Sklodowska-Curie Action (MSCA) Innovative Training Network (ITN) receives funding from the European Union's H2020 Framework Programme under grant agreement no. 764879. T.R. Bieler, D. Kang, E. Pai Kulyadi, P. Eisenlohr, C. Kale, and K.N. Solanki acknowledge support from DOE/OHEP grant DE-SC0009962

Gas seepage and seismogenic structures along the North Anatolian Fault in the eastern Sea of Marmara

We carried out a combined geophysical and gas-geochemical survey on an active fault strand along the North Anatolian Fault (NAF) system in the Gulf of İzmit (eastern Sea of Marmara), providing for the first time in this area data on the distribution of methane (CH4) and other gases dissolved in the bottom seawater, as well as the CH4isotopic composition. Based on high-resolution morphobathymetric data and chirp-sonar seismic reflection profiles we selected three areas with different tectonic features associated to the NAF system, where we performed visual and instrumental seafloor inspections, including in situ measurements of dissolved CH4, and sampling of the bottom water. Starting from background values of 2–10 nM, methane concentration in the bottom seawater increases abruptly up to 20 nM over the main NAF trace. CH4 concentration peaks up to ∼120 nM were detected above mounds related probably to gas and fluids expulsion. Methane is microbial (δ13CCH4: −67.3 and −76‰ versus VPDB), and was found mainly associated with pre-Holocene deposits topped by a 10–20 m thick draping of marine mud. The correlation between tectonic structures and gas-seepages at the seafloor suggests that the NAF in the Gulf of İzmit could represent a key site for long-term combined monitoring of fluid exhalations and seismicity to assess their potential as earthquake precursors

The dynamics of language and ethnicity in Mauritius

The link between ethnicity and language has been well established in research but its contextual, perspectual and variable nature demands that this connection be re-examined in each attempt to understand a nation. This paper is about Mauritius, a postcolonial context where French and British colonisation has left salient features which continue to influence the dynamics around language and ethnicity in the country. By describing its demographic characteristics and its linguistic and political situation, I retrieve some of the key facets of this multi-ethnic and multi-lingual nation which evidence resistance by both the state and the populace against the established colonial languages. To compensate for the lack of appropriate theoretical framework in existing research on Mauritius, I use Homi Bhabha’s postcolonial theoretical framework to uncover the realities faced by both the state and the people of this country and the impacts these may have in the workplace

Reaction mechanism for the replacement of calcite by dolomite and siderite: Implications for geochemistry, microstructure and porosity evolution during hydrothermal mineralisation

Carbonate reactions are common in mineral deposits due to CO2-rich mineralising fluids. This study presents the first in-depth, integrated analysis of microstructure and microchemistry of fluid-mediated carbonate reaction textures at hydrothermal conditions. In doing so, we describe the mechanisms by which carbonate phases replace one another, and the implications for the evolution of geochemistry, rock microstructures and porosity. The sample from the 1.95 Moz Junction gold deposit, Western Australia, contains calcite derived from carbonation of a metamorphic amphibole—plagioclase assemblage that has further altered to siderite and dolomite. The calcite is porous and contains iron-rich calcite blebs interpreted to have resulted from fluid-mediated replacement of compositionally heterogeneous amphiboles. The siderite is polycrystalline but nucleates topotactically on the calcite. As a result, the boundaries between adjacent grains are low-angle boundaries (<10°), which are geometrically similar to those formed by crystal–plastic deformation and recovery. Growth zoning within individual siderite grains shows that the low-angle boundaries are growth features and not due to deformation. Low-angle boundaries develop due to the propagation of defects at grain faces and zone boundaries and by impingement of grains that nucleated with small misorientations relative to each other during grain growth.The cores of siderite grains are aligned with the twin planes in the parent calcite crystal showing that the reactant Fe entered the crystal along the twin boundaries. Dolomite grains, many of which appear to in-fill space generated by the siderite replacement, also show alignment of cores along the calcite twin planes, suggesting that they did not grow into space but replaced the calcite. Where dolomite is seen directly replacing calcite, it nucleates on the Fe-rich calcite due to the increased compatibility of the Fe-bearing calcite lattice relative to the pure calcite. Both reactions are interpreted as fluid-mediated replacement reactions which use the crystallography and elemental chemistry of the calcite. Experiments of fluid-mediated replacement reactions show that they proceed much faster than diffusion-based reactions. This is important when considering the rates of reactions relative to fluid flow in mineralising systems

HSPVdb—the Human Short Peptide Variation Database for improved mass spectrometry-based detection of polymorphic HLA-ligands

T cell epitopes derived from polymorphic proteins or from proteins encoded by alternative reading frames (ARFs) play an important role in (tumor) immunology. Identification of these peptides is successfully performed with mass spectrometry. In a mass spectrometry-based approach, the recorded tandem mass spectra are matched against hypothetical spectra generated from known protein sequence databases. Commonly used protein databases contain a minimal level of redundancy, and thus, are not suitable data sources for searching polymorphic T cell epitopes, either in normal or ARFs. At the same time, however, these databases contain much non-polymorphic sequence information, thereby complicating the matching of recorded and theoretical spectra, and increasing the potential for finding false positives. Therefore, we created a database with peptides from ARFs and peptide variation arising from single nucleotide polymorphisms (SNPs). It is based on the human mRNA sequences from the well-annotated reference sequence (RefSeq) database and associated variation information derived from the Single Nucleotide Polymorphism Database (dbSNP). In this process, we removed all non-polymorphic information. Investigation of the frequency of SNPs in the dbSNP revealed that many SNPs are non-polymorphic “SNPs”. Therefore, we removed those from our dedicated database, and this resulted in a comprehensive high quality database, which we coined the Human Short Peptide Variation Database (HSPVdb). The value of our HSPVdb is shown by identification of the majority of published polymorphic SNP- and/or ARF-derived epitopes from a mass spectrometry-based proteomics workflow, and by a large variety of polymorphic peptides identified as potential T cell epitopes in the HLA-ligandome presented by the Epstein–Barr virus cells