[Non-Permanents Only]: Fracture of Polymeric Double Networks via Coarse-Grained Molecular Dynamics Simulations​ // Detection of the Orientation Angle of Hydrogen Bonds on the Surface of Amorphous Solid Water - Laureano ORTELLADO // Takumi NAGASAWA (PSM)

Fracture of Polymeric Double Networks via Coarse-Grained Molecular Dynamics Simulations​

Laureano ORTELLADO (PSM, Liphy)

Network-forming polymeric materials are ubiquitous, from industrial products to living organisms. This widespread presence necessitates the development of robust and long-lasting polymeric materials. Recently, the synthesis of multi-network systems has shown promise in creating networks with remarkably enhanced mechanical properties. In these systems, a first isotropically pre-stretched brittle network is coupled to a second or more floppy ductile networks that only break at later stages. The synergistic interaction between these networks significantly increases the overall toughness. However, the physical mechanisms underlying this enhancement remain poorly understood, which led to a trial-and-error synthesis approach to optimize the mechanical properties of these new polymeric materials. In this study, we employ coarse-grained molecular dynamics simulations to investigate the mechanical response of double networks at the monomeric level, from synthesis to uniaxial stretch testing. The detailed insights provided by numerical simulations allows us to quantify several quantities inaccessible experimentally.

Detection of the Orientation Angle of Hydrogen Bonds on the Surface of Amorphous Solid Water

Takumi NAGASAWA (PSM, Liphy)

A recent astrochemistry study has clarified that not only a gas-phase reaction but also an interface reaction plays an important role in producing fundamental molecules such as hydrogen methanol, etc.

The surface reaction on amorphous water (AW) is the key to figuring out the chemical process in space, in particular, considering chemical dynamics in a molecular cloud, where stars and planets are being born.

In this presentation, I will focus on the orientation angle of OH bonds on AW surface (known as dangling OH bonds) by infrared multiple-angle incidence resolution spectrometry (IR-MAIRS).