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Current fundamental electronic-structure theory allows for the accurate prediction and characterization of elemental metals adopting any allotropic structure, intermetallic compounds, and other metal-rich phases. From an engineering perspective, there is a need for structural materials that are suitable for mechanical and civil engineering as well as energy production and conversion. While different microstructural features influence the macroscopic behaviour, quantum-mechanical simulation may enormously accelerate and guide the entire development process since atomistic modelling allows for the generation of structural models and the calculation of enthalpies and other free energies as a function of pressure and temperature. Among other things, this volume covers high-manganese steels, some of which have come to light within Collaborative Research Centre 761 (“Steel ab initio”). In particular, it deals with short-range ordering from experiment and theory, also highlighting carbide-like precipitates, and it bridges the gap between atomistic and continuum levels, in particular for hydrogen embrittlement. Molecular dynamics simulates crack propagation, and first-principles theory helps in growing better intermetallic thin films and predicts structural and elastic properties. Eventually, multiscale modelling of hydrogen transport is provided, and the chemical reasons for H-trapping κ-carbides are highlighted. First-principles theory has acquired a powerful role in the fundamental and applied research of metals, alloys, and metallic compounds.

high-manganese steels --- electronic-structure theory --- first principles --- stacking-fault energy --- density-functional theory --- precipitates --- hydrogen embrittlement --- scale transfer --- deformation mechanism

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The Special Issue ‘Physical Metallurgy of High Manganese Steels’ addresses the highly fascinating class of manganese-alloyed steels with manganese contents well above 3 mass%. The book gathers manuscripts from internationally recognized researchers with stimulating new ideas and original results. It consists of fifteen original research papers. Seven contributions focus on steels with manganese contents above 12 mass%. These contributions cover fundamental aspects of process-microstrcuture-properties relationships with processes ranging from cold and warm rolling over deep rolling to heat treatment. Novel findings regarding the fatigue and fracture behavior, deformation mechanisms, and computer-aided design are presented. Additionally, the Special Issue also reflects the current trend of reduced Mn content (3-12 mass%) in advanced high strength steels (AHSS). Eight contributions were dedicated to these alloys, which are often referred to as 3rd generation AHSS, medium manganese steels or quenching and partitioning (Q&P/Q+P) steels. The interplay between advanced processing, mainly novel annealing variants, and microstructure evolution has been addressed using computational and experimental approaches. A deeper understanding of strain-rate sensitivity, hydrogen embrittlement, phase transformations, and the consequences for the materials’ properties has been developed. Hence, the topics included are manifold, fundamental-science oriented and, at the same time, relevant to industrial application.

medium-manganese steel --- TRIP --- strain-rate sensitivity --- Lüders band --- serrated flow --- in-situ DIC tensile tests --- TWIP steel --- deformation twinning --- serrated flow --- dynamic strain aging --- damage --- fracture --- medium-manganese --- forging --- austenite reversion --- mechanical properties --- microstructure --- D&amp --- P steel --- processing --- microstructure --- phase transformation --- dislocation density --- mechanical properties --- MMn steel X20CrNiMnVN18-5-10 --- V alloying --- corrosion resistance --- precipitations --- ultrafine grains --- high-manganese steels --- high-entropy alloys --- alloy design --- plastic deformation --- annealing --- microstructure --- texture --- mechanical properties --- neutron diffraction --- austenite stability --- medium manganese steel --- double soaking --- localized deformation --- medium-Mn steel --- hot-stamping --- double soaking --- continuous annealing --- quenching and partitioning --- high strength steel --- high manganese steel --- crash box --- lightweight --- multiscale simulation --- high-Mn steels --- twinning induced plasticity --- cold rolling --- recrystallization annealing --- grain refinement --- strengthening --- austenitic high nitrogen steel (HNS) --- cold deformation --- fatigue --- high manganese steel --- warm rolling --- processing --- microstructure --- texture --- mechanical properties --- deformation behavior --- high-manganese steel --- deep rolling --- TWIP --- TRIP --- near surface properties --- residual stresses --- fatigue behavior --- intercritical annealing --- medium manganese steel --- phase field simulation --- medium-Mn steel --- austenite-reversed-transformation --- retained austenite --- hydrogen embrittlement --- ultrafine-grained microstructure --- strain-hardening behavior --- n/a