Graph Theoretical Description of Phase Transitions in Complex Multiscale Phases with Supramolecular Assemblies DOI Creative Commons
Ruochen Yang, Kalil Bernardino, Xiongye Xiao

et al.

Advanced Science, Journal Year: 2024, Volume and Issue: 11(33)

Published: July 1, 2024

Phase transitions are typically quantified using order parameters, such as crystal lattice distances and radial distribution functions, which can identify subtle changes in crystalline materials or high-contrast phases with large structural differences. However, the identification of high complexity, multiscale organization complex patterns during fluctuations preceding phase transitions, essential for understanding system pathways between phases, is challenging those traditional analyses. Here, it shown that two model systems- thermotropic liquid crystals a lyotropic water/surfactant mixtures-graph theoretical (GT) descriptors successfully combining molecular nanoscale levels hard to characterize methodologies. Furthermore, GT also reveal different phases. Specifically, centrality parameters node-based fractal dimension quantify behavior capturing fluctuation-induced breakup aggregates their long-range cooperative interactions. parameterization be generalized wide range chemical systems instrumental growth mechanisms nanostructures.

Language: Английский

Topology in soft and biological matter DOI Creative Commons
Luca Tubiana, Gareth P. Alexander, Agnese Barbensi

et al.

Physics Reports, Journal Year: 2024, Volume and Issue: 1075, P. 1 - 137

Published: May 16, 2024

The last years have witnessed remarkable advances in our understanding of the emergence and consequences topological constraints biological soft matter. Examples are abundant relation to (bio)polymeric systems range from characterization knots single polymers proteins that whole chromosomes polymer melts. At same time, considerable been made description interplay between physical properties complex fluids, with development techniques now allow researchers control formation interaction defects diverse classes liquid crystals. Thanks technological progress integration experiments increasingly sophisticated numerical simulations, matter is a vibrant area research attracting scientists broad disciplines. However, owing high degree specialization modern science, many results remained confined their own particular fields, different jargon making it difficult for share ideas work together towards comprehensive view phenomena at play. Compelled by these motivations, here we present overview effects ranging DNA genome organization entangled proteins, polymeric materials, crystals, theoretical physics, intention reducing barriers fields biophysics. Particular care has taken providing coherent formal introduction continuum materials highlighting underlying common aspects concerning emergence, characterization, objects systems. second half review dedicated presentation latest selected problems, specifically, on viscoelastic materials; organization; discussion possible other entanglements proteins; solitons fluids. This memory Marek Cieplak.

Language: Английский

Citations

29
Toward atomic-scale understanding of structure-dynamics-properties relations for metallic glasses DOI
Zhen-Ya Zhou, Qun Yang, Hai‐Bin Yu

et al.

Progress in Materials Science, Journal Year: 2024, Volume and Issue: 145, P. 101311 - 101311

Published: May 12, 2024

Language: Английский

Citations

27
Freezing Shrinkage Dynamics and Surface Dendritic Growth of Floating Refractory Alloy Droplets in Outer Space DOI
Haipeng Wang,

Hui Liao,

Liang Hu

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(24)

Published: March 10, 2024

The freezing shrinkage and dendritic growth are of great importance for various alloys solidified from high-temperature liquids to solids since they dominate microstructure patterns follow-up processing. However, the microgravity dynamics is scarcely explored on ground as it hard suppress strong natural convection inside liquid alloys. Here, a series in-orbit solidification experiments conducted aboard China Space Station with long-term stable 10

Language: Английский

Citations

20
Topological linking determines elasticity in limited valence networks DOI Creative Commons
Giorgia Palombo,

Simon Weir,

Davide Michieletto

et al.

Nature Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 31, 2025

Understanding the relationship between microscopic structure and topology of a material its macroscopic properties is fundamental challenge across wide range systems. Here we investigate viscoelasticity DNA nanostar hydrogels-a model system for physical networks with limited valence-by coupling rheology measurements, confocal imaging molecular dynamics simulations. We discover that these display large degree interpenetration loops within network are topologically linked, forming percolating network-within-network structure. Below overlapping concentration, fraction branching points pore size determine high-frequency elasticity gels. At higher concentrations, this elastic response dictated by abundance topological links looped motifs in gel. Our findings highlight emergence 'topological elasticity' as previously overlooked mechanism generic network-forming liquids gels inform design controllable behaviours.

Language: Английский

Citations

2
Frustration in Super‐Ionic Conductors Unraveled by the Density of Atomistic States DOI Creative Commons
Shuo Wang, Yunsheng Liu, Yifei Mo

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 62(15)

Published: Feb. 7, 2023

The frustration in super-ionic conductors enables their exceptionally high ionic conductivities, which are desired for many technological applications including batteries and fuel cells. A key challenge the study of is difficulties analyzing a large number disordered atomistic configurations. Using lithium as model systems, we propose demonstrate density states (DOAS) analytics to quantitatively characterize onset degree disordering, reveal energetics local disorder, elucidate how enhances diffusion through broadening overlapping energy levels states. Furthermore, material design strategies aided by DOAS devised demonstrated new conductors. generally applicable unraveling fundamental mechanisms complex systems guiding design.

Language: Английский

Citations

37
When stars make loopy networks DOI
Emanuela Del Gado

Nature Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 21, 2025

Language: Английский

Citations

1
The physics behind water irregularity DOI Creative Commons
Chang Q. Sun, Yongli Huang, Xi Zhang

et al.

Physics Reports, Journal Year: 2022, Volume and Issue: 998, P. 1 - 68

Published: Dec. 10, 2022

The notion of asymmetrical Hydrogen Bond (O:H-O) Cooperativity and Polarizability (HBCP) has enabled exploration the core physics behind irregularities water ice, particularly, evolution mass density, phase stability, energy exchange, their transition velocity under perturbation. We humbly share initiatives quasisolidity presented between Liquid Ice, supersolidity pertained to polarization by electrification or molecular undercoordination, H↔H O:⇔:O repulsivity owing respective injection excessive protons lone pairs liquid solvation. O—O forms key that drives O:H-O bond cooperatively relax its segmental length, cohesive energy, vibration frequency, specific heat upon perturbation, which establishes an efficient set parameters feature bonding electronic dynamics in frequency–space–time domains. An interplay heats defines densities, boundaries, exotic quasisolid (QS) exhibits negative thermal expansivity through H-O contracting less than scale O:H expansion cooling. However, undergoes cooling elongation Ice-I remains silent XI phase. absorbs contraction does it inverse at expansion. nonbond always relaxes more contrasting direction. Mechanical compression symmetrizes length associated with polarization, disperses inwardly QS boundary lower Tm for melting but raise temperature TN ice nucleation TV evaporation, resulting phenomena regelation instant-ice formation. Polarization, however, contrast effect on hydrogen relaxation transition. converts pristine into gel-like, hydrophobic, viscoelastic supersolid is less-dense thermally diffusive stable, entitling surface premelting, superheating Tm, supercooling TV. Polarization enhances dielectrics widens bandgap ice. ensures 120 K superelasticity microfibers 330 stability electrified bridge crossing rims infilled containers. high elasticity softer interface electrostatic secure slipperiness superfluidity traveling fine channels. skin memorability uniquely foster Mpemba — warm cools quickly. modifies network solution properties solvent elongation, solute contraction, polarization. HBCP premise thus correlated irregularity Further extension aqueous assemblies involved electron coupling interactions could be even fascinating profoundly promising.

Language: Английский

Citations

34
Frustration in Super‐Ionic Conductors Unraveled by the Density of Atomistic States DOI Creative Commons
Shuo Wang, Yunsheng Liu, Yifei Mo

et al.

Angewandte Chemie, Journal Year: 2023, Volume and Issue: 135(15)

Published: Feb. 7, 2023

Abstract The frustration in super‐ionic conductors enables their exceptionally high ionic conductivities, which are desired for many technological applications including batteries and fuel cells. A key challenge the study of is difficulties analyzing a large number disordered atomistic configurations. Using lithium as model systems, we propose demonstrate density states (DOAS) analytics to quantitatively characterize onset degree disordering, reveal energetics local disorder, elucidate how enhances diffusion through broadening overlapping energy levels states. Furthermore, material design strategies aided by DOAS devised demonstrated new conductors. generally applicable unraveling fundamental mechanisms complex systems guiding design.

Language: Английский

Citations

15
Deciphering Density Fluctuations in the Hydration Water of Brownian Nanoparticles via Upconversion Thermometry DOI Creative Commons
Fernando E. Maturi, Ramon S. Raposo Filho, Carlos D. S. Brites

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2024, Volume and Issue: 15(9), P. 2606 - 2615

Published: Feb. 29, 2024

We investigate the intricate relationship among temperature, pH, and Brownian velocity in a range of differently sized upconversion nanoparticles (UCNPs) dispersed water. These UCNPs, acting as nanorulers, offer insights into assessing relative proportion high-density low-density liquid surrounding hydration The study reveals size-dependent reduction onset temperature liquid-water fluctuations, indicating an augmented presence domains at nanoparticle surfaces. observed upper-temperature threshold is consistent with hypothetical phase diagram water, validating two-state model. Moreover, increase pH disrupts organization water molecules, similar to external pressure effects, allowing simulation effects on hydrogen bonding networks. findings underscore significance surface suspended for understanding high- fluctuations behavior charged interfaces.

Language: Английский

Citations

5
A Unified Description of the Liquid Structure, Static and Dynamic Anomalies, and Criticality of TIP4P/2005 Water by a Hierarchical Two-State Model DOI
Zhenhao Yu, Rui Shi, Hajime Tanaka

et al.

The Journal of Physical Chemistry B, Journal Year: 2023, Volume and Issue: 127(15), P. 3452 - 3462

Published: April 12, 2023

Water has anomalous thermodynamic and kinetic properties distinct from ordinary liquids. The famous examples are the density maximum at 4 °C viscosity decrease upon pressurization. presence of second critical point been considered to be responsible for these anomalies since its discovery in ST2 water. Recently, existence confirmed firmly TIP4P/2005, which is one most successful classical models water, by Debenedetti et al. [Debenedetti Science 2020, 369, 289]. Here, we study water structure dynamic quantities a wide temperature (T)-pressure (P) range, including vicinity point, extensive molecular dynamics simulation this model. We reveal that hierarchical two-state model with cooperative formation tetrahedral structures via hydrogen bonding can describe T, P-dependences structure, anomalies, criticality TIP4P/2005 unified manner. shows very similar behaviors real all aspects, suggesting possible Our physical description based on two order parameters, fraction locally favored structures, indicates latter relevant parameter supported analysis fluctuations. different nature arrangements, conserved nonconserved, may key unambiguously identifying parameter.

Language: Английский

Citations

11