A5088724896- Material Dynamics and Properties
- Surfactants and Colloidal Systems
- Nuclear Physics and Applications
- NMR spectroscopy and applications
- Dendrimers and Hyperbranched Polymers
- Rheology and Fluid Dynamics Studies
- Spectroscopy and Quantum Chemical Studies
- Electrostatics and Colloid Interactions
- Polymer crystallization and properties
- Phase Equilibria and Thermodynamics
- Advanced Polymer Synthesis and Characterization
- High-pressure geophysics and materials
- Polymer Surface Interaction Studies
- Protein Structure and Dynamics
- Pickering emulsions and particle stabilization
- Theoretical and Computational Physics
- Polymer Nanocomposites and Properties
- Machine Learning in Materials Science
- Proteins in Food Systems
- Enzyme Structure and Function
- RNA Interference and Gene Delivery
- Force Microscopy Techniques and Applications
- Quantum, superfluid, helium dynamics
- Block Copolymer Self-Assembly
- Mass Spectrometry Techniques and Applications
Oak Ridge National Laboratory
2015-2025
Singapore General Hospital
2023-2024
Shanghai Institute of Ceramics
2023-2024
Chinese Academy of Sciences
2023-2024
Apex Tool Group (Taiwan)
2024
Feng Chia University
2024
Spallation Neutron Source
2009-2024
Government of the United States of America
2022-2023
University of Chinese Academy of Sciences
2023
Chinese PLA General Hospital
2012-2022
We present a different and efficient method for implementing the analytical solution of Ornstein-Zernike equation two-Yukawa fluids in mean spherical approximation. investigate, particular, conditions formation an extra low-Q peak structure factor, which we interpret as due to cluster fluid when interparticle potential is composed short-range attraction long-range repulsion. then apply this model small angle neutron scattering data protein solutions at moderate concentrations find out that...
Small-angle neutron scattering (SANS) from cationic wormlike micellar solutions composed of hexadecyltrimethylammonium bromide (CTABr) and hexadecylpyridinium (CPyBr) in deuterated water was studied at 40 °C as a function surfactant salt concentrations. Two functions semiflexible chains incorporating excluded volume effects, with without the intermicellar interactions, were used SANS data model fitting. needed changes made well-accepted models. Extensive systematic analysis suggests...
The formation of equilibrium clusters has been studied in both a prototypical colloidal system and protein solutions. appearance low-Q correlation peak small angle scattering patterns lysozyme solution was attributed to the cluster−cluster correlation. Consequently, presence long-lived established. By quantitatively analyzing SANS (small neutron scattering) NSE (neutron spin echo) data using statistical mechanics models, we conclusively show this paper that is not signature clusters. Rather,...
Neutron spin echo (NSE) and small angle neutron scattering (SANS) were used to investigate the correlation between structure short-time dynamics of lysozyme solutions in presence protein clusters as previously reported. It was found that, upon increasing concentration, self-diffusion coefficient at short time limit becomes much smaller than that corresponding hard-sphere charged colloidal suspensions same volume fraction. Contrary literature conclusions, we find relatively low...
Data reduction is a critical step in small-angle neutron scattering experiment. It corrects the data for instrument-specific artefacts, making it ready analysis, interpretation, as well comparison against collected with different instruments. Here, drtsans software package developed at Oak Ridge National Laboratory EQ-SANS, GP-SANS, and Bio-SANS instruments, which are located Spallation Neutron Source High Flux Isotope Reactor, described. The rigorous development methods employed have...
Small angle neutron scattering intensity distributions taken from cytochrome C and lysozyme protein solutions show a rising at very small wave vector, Q, which can be interpreted in terms of the presence weak long-range attraction between molecules. This interaction has range several times that diameter molecule, much greater than screened electrostatic repulsion. We evidence this is closely related to type anion present ion concentration solution.
We present experimental evidence, obtained from small-angle neutron scattering and photon correlation measurements, indicating the existence of two types structurally arrested (glassy) states in a copolymer micellar system with short-range interparticle attractive interaction. Within certain range volume fractions, sharp transition between these glass is observed by varying temperature. Furthermore, we found an end point this line beyond which glasses become identical their local structure...
The structural properties of generation 4 (G4) poly(amidoamine) starburst dendrimers (PAMAM) with an ethylenediamine (EDA) central core in D2O solutions have been studied by small-angle neutron scattering (SANS). Upon the addition DCl, SANS patterns show pronounced inter-particle correlation peaks due to strong repulsion introduced protonation amino groups dendrimers. By solving Ornstein−Zernike integral equation (OZ) hypernetted chain closure (HNC), dendrimer−dendrimer structure factor S(Q)...
We investigate a series of poly(amidoamine) starburst dendrimers (PAMAM) different generations in acidic, aqueous solutions using small-angle neutron scattering (SANS). While the overall molecular size is found to be practically unaffected by pD change, strong generational dependence counterion association revealed. Upon increasing dendrimer generation, effective charge obtained from our SANS experiments only shows small increase contrast nearly exponential predicted recent atomic...
A combined small-angle neutron scattering (SANS) and X-ray (SAXS) study was conducted to investigate the structural characteristics of aqueous (D2O) solution generation 7 8 (G7 & G8) polyamidoamine (PAMAM) dendrimer as a function molecular protonation. consequent change in intramolecular conformation clearly quantified by detailed data analysis separating intermolecular correlations from contribution. Our results unambiguously reveal both an increase size continuous variation density profile...
We directly observed time-dependent real-space atom-atom dynamic correlations in liquid water using inelastic x-ray scattering.
The flow and deformation of macromolecules is ubiquitous in nature industry, an understanding this phenomenon at both macroscopic microscopic length scales fundamental practical importance. Here we present the formulation a general mathematical framework, which could be used to extract, from scattering experiments, molecular relaxation deformed polymers. By combining modestly extending several key conceptual ingredients literature, show how anisotropic single-chain structure factor can...
Abstract The photocatalytic cycloaddition reaction between CO 2 and epoxide is one of the most promising green routes for utilization, which high performance photocatalysts are intensely desired. Herein, we have constructed an S‐scheme heterojunction MIL‐125@ZIF‐67 modified by amino groups, achieves a cyclic carbonate yield as 99 % without employing any co‐catalyst, outperforming previously reported photocatalysts. In‐situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS)...
This work thoroughly examines several analytical tools, each possessing a different level of mathematical intricacy, for the purpose characterizing orientation distribution function elongated objects under flow. Our investigation places an emphasis on connecting to small angle scattering spectra measured experimentally. The diverse range approaches investigated herein provides insights into flow behavior particles from perspectives and serves as powerful tools elucidating complex interplay...
Hypothesis Understanding the scission of rod-like micelles under mechanical forces is crucial for optimizing their stability and behavior in industrial applications. This study investigates how micelle length, flexibility, external interact, offering insights into design micellar systems processes influenced by stress. Although significant, direct experimental observations flow-induced using scattering techniques remain scarce. Experiments Simulations Small angle neutron (SANS) used to...
We develop Monte Carlo simulations for uniformly charged polymers and machine learning algorithm to interpret the intra-polymer structure factor of polymer system, which can be obtained from small-angle scattering experiments. The is modeled as a chain fixed-length bonds, where connected bonds are subject bending energy, there also screened Coulomb potential charge interaction between all joints. energy determined by intrinsic stiffness, depends on strength screening length. All three...
A SeedGel can be formed not only in partially miscible binary solvents but also solvents.
In Multiscale Materials Modeling, an enduring vision is to extract the molecular mechanisms governing a certain materials phenomenon of interest in order predict how will behave at later time. This goal predictive simulation has been discussed about decade ago as research challenge, Mesoscale Science Frontier, MSS. To date, it continues motivate growing community computational science and technology. Here, we consider several phenomena interest, each well known their specific areas...
Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar using scattering techniques. By leveraging mathematical framework Kolmogorov-Arnold networks, demonstrate that conformations these - expressed as superpositions complex waves can be reconstructed from small-angle...
Small-angle scattering techniques are indispensable tools for probing the structure of soft materials. However, traditional analytical models often face limitations in structural inversion complex systems, primarily due to absence closed-form expressions functions. To address these challenges, we present a machine learning framework based on Kolmogorov–Arnold Network (KAN) directly extracting real-space information from spectra reciprocal space. This model-independent, data-driven approach...
Resolution smearing is a critical challenge in the quantitative analysis of two-dimensional small-angle neutron scattering (SANS) data, particularly studies soft matter flow and deformation using SANS. We present central moment expansion technique to address anisotropic spectra, offering model-free desmearing methodology. By accounting for directional variations resolution enhancing computational efficiency, this approach reconstructs desmeared intensity distributions from smeared...