Bis(triphenylphosphine)iminium bromide acetonitrile monosolvate

The title compound, C36H30NP2 +·Br−·C2H3N, crystallized from a CH3CN/OEt2 solution as an acetonitrile solvate. The central P—N—P angle [142.88 (10)°] is significantly larger than in the corresponding chloride and iodide structures

Bis(triphenyl-λ5-phosphanylidene)ammonium hydrogen dichloride

In the title compound, [(Ph3P)2N]+·[Cl-H-Cl]− or C36H30NP2 +·Cl2H−, the H atom of the [Cl—H—Cl]− anion and the N atom of the [(Ph3P)2N]+ cation are located on a twofold axis, yielding overall symmetry 2 for both the cation and the anion. The central P—N—P angle [144.12 (13)°] of the cation is in the expected range and indicates only weak cation–anion inter­actions. The almost linear [Cl—H—Cl]− anion is a rare example of a symmetric hydrogen bridge in a hydrogen dichloride anion. The Cl⋯Cl distance and two equal Cl—H bonds are typical of such a symmetric hydrogen dichloride anion

Solvate-free bis­(triphenylphosphine)iminium chloride

The title compound, C36H30NP2 +·Cl−, crystallized in the solvate-free form from a CH3CN/OEt2 solution. The chloride anion and the N atom of the [(Ph3P)2N]+ cation are located on a twofold axis, yielding overall symmetry 2 for the cation. The central P—N—P angle [133.0 (3)°] is at the low end of the range of observed P—N—P angles

Enabling hybrid tree-based Adaptive Mesh Refinement using Pyramids

We present a space-filling curve for pyramids to enable fully hybrid adaptive mesh refinement. The SFC is based on the tetrahedral Morton-curve. We show how to solve the difficulty, that a pyramid divides into pyramids and tetrahedral and how to reuse the already existing SFC for the tetrahedral children of a pyramid. Our results proof, that the algorithms scale very good and that our algorithms are efficient

An Optimized, Parallel Computation of the Ghost Layer for Adaptive Hybrid Forest Meshes

We discuss parallel algorithms to compute the ghost layer in computational, distributed memory, recursively adapted meshes. Its creation is a fundamental, necessary task in executing most parallel, element-based computer simulations. Common methods differ in that the ghost layer may either be inherently part of the mesh data structure that is maintained and modified, or kept separate and constructed/deleted as needed. In this work, we present a design following the latter approach, which we chose for its modularity of algorithms and data structures. We target arbitrary adaptive, nonconforming forest-of-trees meshes of mixed element shapes, such as cubes, prisms, and tetrahedra, and restrict ourselves to ghost elements across mesh faces. Our algorithm has low code complexity and redundancy since we reduce it to generic codimension-1 subalgorithms that can be flexibly combined. We recover older algorithms for cubic elements as special cases and optimize further using recursive, amortized tree searches and traversals

Evaluation of the effect of prospective biomarker testing on progression-free survival in diffuse large B-cell lymphoma.

Novel treatment regimens combining chemotherapy with targeted agents are being developed for diffuse large B-cell lymphoma (DLBCL). These regimens are expected to show efficacy in biomarker-defined..

t8code - scalable and modular adaptive mesh refinement

t8code is a versatile open source library for parallel adaptive mesh refinement on hybrid meshes. [1] It is exascale-ready and capable of efficiently managing meshes with up to a trillion elements distributed on a million of cores as already shown in a peer-reviewed research paper. [2] On the top-level, t8code uses forests of trees to represent unstructured meshes with complex geometries. Space-filling curves index individual elements within a forest, which requires only minimal amounts of memory allowing for efficient and scalable algorithms of mesh management. In contrast to existing solutions, t8code has the capability to manage an arbitrary number of tetrahedra, hexahedra, prisms and pyramids within the same mesh. With this poster we want to present the first official release (v1.0) of our software and give a quick overview over its main features. Besides presenting the core algorithms of t8code, we give application scenarios on how our library integrates into major simulation frameworks for weather forecasting, climate modeling and engineering; and how they benefit from our approach to do AMR. [1] https://github.com/DLR-AMR/t8code [2] https://epubs.siam.org/doi/abs/10.1137/20M138303

Structural insights into the formation and voltage degradation of lithium- and manganese-rich layered oxides.

One major challenge in the field of lithium-ion batteries is to understand the degradation mechanism of high-energy lithium- and manganese-rich layered cathode materials. Although they can deliver 30 % excess capacity compared with today's commercially- used cathodes, the so-called voltage decay has been restricting their practical application. In order to unravel the nature of this phenomenon, we have investigated systematically the structural and compositional dependence of manganese-rich lithium insertion compounds on the lithium content provided during synthesis. Structural, electronic and electrochemical characterizations of LixNi0.2Mn0.6Oy with a wide range of lithium contents (0.00 ≤ x ≤ 1.52, 1.07 ≤ y < 2.4) and an analysis of the complexity in the synthesis pathways of monoclinic-layered Li[Li0.2Ni0.2Mn0.6]O2 oxide provide insight into the underlying processes that cause voltage fading in these cathode materials, i.e. transformation of the lithium-rich layered phase to a lithium-poor spinel phase via an intermediate lithium-containing rock-salt phase with release of lithium/oxygen

Search for supersymmetry in events with one lepton and multiple jets in proton-proton collisions at root s=13 TeV

Peer reviewe