Atom-probe tomography (APT) provides atomic-scale spatial and compositional resolution that is ideally suited for the analysis of grain boundaries. The small sample volume analyzed in APT presents, however, a challenge for capturing mesoscale features, such as grain boundaries. A new site-specific method utilizing transmission electron microscopy (TEM) for the precise selection and isolation of mesoscale microstructural features in a focused-ion-beam (FIB) microscope lift-out sample, from below the original surface of the bulk sample, for targeted preparation of an APT microtip by FIB-SEM microscopy is presented. This methodology is demonstrated for the targeted extraction of a prior austenite grain boundary in a martensitic steel alloy; it can, however, be easily applied to other mesoscale features, such as heterophase interfaces, precipitates, and the tips of cracks.
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Biomimetics (Basel)
December 2024
Departments of Biological Sciences and Mathematical Sciences, University of Delaware, Newark, DE 19716, USA.
This work presents a novel application of additive manufacturing in the design of self-assembling helical viral capsids using 3D-printed components. Expanding on prior work with 3D-printed self-assembling spherical capsids, we developed helical models that integrate geometric parameters and magnetic interactions to mimic key features of the assembly process of helical viral capsids. Using dual-helix phyllotactic patterns and simplified electrostatic simulations, these models consistently self-assemble into a cylinder, providing unique insights into the structural organization and stability of helical capsids.
View Article and Find Full Text PDFPhys Rev E
November 2024
Heidelberg Institute for Theoretical Studies, 69118 Heidelberg, Germany.
Collagen, the most abundant protein in the human body, must withstand high mechanical loads due to its structural role in tendons, skin, bones, and other connective tissue. It was recently found that tensed collagen creates mechanoradicals by homolytic bond scission. We here employ scale-bridging simulations to determine the influence of collagen's mesoscale fibril structure on molecular breakages, combining atomistic molecular dynamics simulations with a newly developed mesoscopic ultra-coarse-grained description of a collagen fibril.
View Article and Find Full Text PDFJ Chem Inf Model
December 2024
Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218, United States.
A challenge to materials discovery is the identification of the physical features that are most correlated to a given target material property without redundancy. Such variables necessarily comprise the optimal search domain in subsequent material design. Here, we introduce a reinforcement learning-based material model (ReLMM) as a tool for analyzing a given database in identifying a minimal or near minimal subset of physical features for the design of a material with a given target property.
View Article and Find Full Text PDFMaterials (Basel)
November 2024
National Key Laboratory of Transient Physics, Nanjing University of Science and Technology, Nanjing 210094, China.
As an important civil and military infrastructure, airport runway pavement is faced with threats from cluster munitions, since it is vulnerable to projectile impacts with internal explosions. Aiming at the damage assessment of an island airport runway pavement under impact, this work dealt with discrete modeling of rigid projectile penetration into concrete pavement and the calcareous sand subgrade multi-layer structure. First, the Discrete Element Method (DEM) is introduced to model concrete and calcareous sand granular material features, like cohesive fracture and strain hardening due to compression, with mesoscale constitutive laws governing the normal and shear interactions between adjacent particles.
View Article and Find Full Text PDFIn research on mesoscale structure and correlations, small-angle neutron scattering (SANS) is increasingly being employed to map fully three-dimensional distributions of scattered intensity at low momentum transfer. While traditionally SANS experiments and data analysis methods are designed to prioritize the determination of salient information in only one or two dimensions, the trend towards volumetric intensity mapping experiments calls for new software tools to assist with analyzing the resulting datasets. In this paper, we describe the development of a new software module, the ().
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