Controlling interdependent meso-nanosecond dynamics and defect generation in metal 3D printing

State-of-the-art metal 3D printers promise to revolutionize manufacturing, yet they have not reached optimal operational reliability. The challenge is to control complex laser–powder–melt pool interdependency (dependent upon each other) dynamics. We used high-fidelity simulations, coupled with synchrotron experiments, to capture fast multitransient dynamics at the meso-nanosecond scale and discovered new spatter-induced defect formation mechanisms that depend on the scan strategy and a competition between laser shadowing and expulsion. We derived criteria to stabilize the melt pool dynamics and minimize defects. This will help improve build reliability.

Femtosecond-to-nanosecond dynamics of flavin mononucleotide monitored by stimulated Raman spectroscopy and simulations

The ultrafast excited-state dynamics of flavin mononucleotide (FMN) was monitored upon light irradiation by a hybrid experimental/computational approach.

Characterization of the dynamics and the conformational entropy in the binding between TAZ1 and CTAD-HIF-1α

The interaction between the C-terminal transactivation domain of HIF-1α (CTAD-HIF-1α) and the transcriptional adapter zinc binding 1 (TAZ1) domain of CREB binding protein participate in the initiation of gene transcription during hypoxia. Unbound CTAD-HIF-1α is disordered but undergoes a disorder-to-order transition upon binding to TAZ1. We have here performed NMR side chain and backbone relaxation studies on TAZ1 and side chain relaxation measurements on CTAD-HIF-1α in order to investigate the role of picosecond to nanosecond dynamics. We find that the internal motions are significantly affected upon binding, both on the side chain and the backbone level. The dynamic response corresponds to a conformational entropy change that contributes substantially to the binding thermodynamics for both binding partners. Furthermore, the conformational entropy change for the well-folded TAZ1 varies upon binding to different IDP targets. We further identify a cluster consisting of side chains in bound TAZ1 and CTAD-HIF-1α that experience extensive dynamics and are part of the binding region that involves the N-terminal end of the LPQL motif in CTAD-HIF-1α; a feature that might have an important role in the termination of the hypoxic response.

Emergence of Hierarchical Modularity in Evolving Networks Uncovered by Phylogenomic Analysis

Networks describe how parts associate with each other to form integrated systems which often have modular and hierarchical structure. In biology, network growth involves two processes, one that unifies and the other that diversifies. Here, we propose a biphasic (bow-tie) theory of module emergence. In the first phase, parts are at first weakly linked and associate variously. As they diversify, they compete with each other and are often selected for performance. The emerging interactions constrain their structure and associations. This causes parts to self-organize into modules with tight linkage. In the second phase, variants of the modules diversify and become new parts for a new generative cycle of higher level organization. The paradigm predicts the rise of hierarchical modularity in evolving networks at different timescales and complexity levels. Remarkably, phylogenomic analyses uncover this emergence in the rewiring of metabolomic and transcriptome-informed metabolic networks, the nanosecond dynamics of proteins, and evolving networks of metabolism, elementary functionomes, and protein domain organization.