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Search Publications by: Yun Liu (Fed)

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Displaying 76 - 100 of 106

Molecular Dynamics of a Model Dimerizing Fluid

January 28, 2015
Author(s)
Christopher E Bertrand, Yun Liu
A model dimer forming fluid has been investigated by continuous molecular dynamics simulations. This study emphasizes the volume fraction and temperature dependence of the static and dynamic properties of the systems, including the structure factor, self

Kinetic Trapping of D 2 in MIL-53(AL) Observed using Neutron Scattering

July 14, 2014
Author(s)
Rachel Ann Pollock, Jae-Hyuk Her, Craig Brown, Yun Liu, Anne Dailly
We have studied gas adsorption effects on the structure of a metal organic framework, MIL-53(Al), a material well known due to the controllable framework 'breathing¿ phenomenon. Neutron powder diffraction between 4 K and 77 K and up to 4.5 bar pressure D 2

Observation of Small Cluster Formation in Concentrated Monoclonal Antibody Solutions and Its Implications to Solution Viscosity

April 15, 2014
Author(s)
Eric J. Yearley, Paul D. Godfrin, Tatiana NMN Perevozchikova, Hailiang Zhang, Peter Falus, Lionel Porcar, Michihiro Nagao, Joseph E. Curtis, Pradad Gawande, Rosalynn Taing, Isidro E. Zarraga, Norman J. Wagner, Yun Liu
Monoclonal antibodies (mAbs) are a major class of biopharmaceuticals. Some concentrated mAb solutions are hypothesized to exhibit the formation of a solution phase consisting of reversibly self-associated aggregates (or reversible clusters), which is

Dynamical Arrest in Adhesive Hard-Sphere Dispersions Driven by Rigidity Percolation

December 6, 2013
Author(s)
Nestor E. Valadez-Perez, Yun Liu, Aaron P. R. Eberle, Norman J. Wagner, Ramon Castaneda-Priego
One major goal in condensed matter physics is identifying the physical mechanisms that lead to arrested states of matter, especially gels and glasses. The complex nature and microscopic details of each particular system are relevant. However, from both

Small-Angle Neutron Scattering Characterization of Monoclonal Antibody Conformations and Interactions at High Concentrations

August 6, 2013
Author(s)
Eric J. Yearley, Isidro E. Zarraga, Steven J. Shire, Thomas M. Scherer, Yatin Gokarn, Norman J. Wagner, Yun Liu
Small-angle neutron scattering (SANS) has been used to probe the solution structure of two protein therapeutics (MAb2 and MAb2) and their inter-protein potentials at high concentrations. These MAbs differ by small primary sequence variations in the

Metal-Assisted Hydrogen Storage on Pt-Decorated Single-Walled Carbon Nanohorns

June 23, 2012
Author(s)
Yun Liu, Craig M. Brown, Dan A. Neumann, David B. Geohegan, Alexander A. Puretzky, Christopher M. Rouleau, Hui Hu, David Styers-Barnett, Pavel O. Krasnov, Boris I. Yakobson
Current methods to study the spillover effect in hydrogen storage materials typically must compare the results from a separate reference sample. This makes it difficult to determine with confidence the amount of adsorbed hydrogen only associated with

Structured Water in Polyelectrolyte Dendrimers: Understanding Small Angle Neutron Scattering Results through Atomistic Simulation

April 14, 2012
Author(s)
Bin Wu, Boutheina Kerkeni, Takeshi Egami, Changwoo Do, Yun Liu, Yongmei Wang, Lionel Porcar, Kunlun Hong, Sean C. Smith, Emily L. Liu, Gregory S. Smith, Wei-Ren Chen
Based on atomisitc dynamics (MD)simulations, small angle neutron scattering (SANS)intensity behavior of single generation 4 9G$) polyelectrolyte polyamidoamine starburst dendrimer (PAMAM) dendrimer is investigate at different levels of molecular

Contrast variation in spin-echo small angle neutron scattering

January 25, 2012
Author(s)
Xin Li, Bin Wu, Yun Liu, Roger Pynn, Chwen-Yang Shew, Gregory S. Smith, Kenneth W. Herwig, J. Lee Robertson, Wei-Ren Chen, Li Liu
The use of contrast variation in spin-echo small angle neutron scattering (SESANS) experiments is discussed for the case of colloidal structural investigation. Based on the calculations for several model systems, we find that the contrast variation SESANS

Distinguishing the Monomer to Cluster Phase Transition in Concentrated Lysozyme Solutions by Studying the Temperature Dependence of the Short-Time Dynamics

January 25, 2012
Author(s)
Peter Falus, Lionel Porcar, Emiliano Fratini, Wei-Ren Chen, Antonio Faraone, Kunlun Hong, Piero Baglioni, Yun Liu
Recently experiments that combine both small angle neutron scattering (SANS) and Neutron Spin Echo (NSE) have demonstrated that dynamic clusters can form in concentrated lysozyme solutions when a right combination of a short-ranged attraction and long

Spatial Distribution of Intra-Molecular Water and Polymeric Components in Polyelectrolyte Dendrimers Revealed by Small Angle Scattering Investigations

October 14, 2011
Author(s)
Bin Wu, Xin Li, Changwoo Do, Tae-Hwan Kim, Chwen-Yang Shew, Yun Liu, Jun Yang, Kunlun Hong, Lionel Porcar, Chun-Yu Chen, Emily L. Liu, Gregory S. Smith, Kenneth W. Herwig, Wei-Ren Chen
An experimental scheme using contrast variation small angle neutron scattering technique (SANS), is developed to investigate the structural characteristics of amine-terminated poly(amidoamine) dendrimers (PAMAM) solutions. Using this methodology, we

Hydrogen Spillover Effect of Pt-Doped Activated Carbon Studied by Inelastic Neutron Scattering

August 24, 2011
Author(s)
Cheng-Si Tsao, Yun Liu, Haw-Yeu Chuang, Huan-Hsiung Tseng, Tsan-Yao Chen, Chien-Hung Chen, Ming-Sheng Yu, Qixiu Li, Angela Lueking, Sow-Hsin Chen
We employed inelastic neutron scattering (INS) method to directly monitor the change of molecular hydrogen in the Pt-doped activated carbon (Pt/AC) samples and provide very conclusive evidence that significant hydrogen atoms can diffuse to the carbon

Hierarchical Nanomorphologies Promote Exciton Dissociation in Polymer/Fullerene Bulk Heterojunction Solar Cells

August 8, 2011
Author(s)
Wei Chen, Tao Xu, Feng He, Wei Wang, Cheng Wang, Joseph Strzalka, Yun Liu, Jianguo Wen, Dean J. Miller, Jihua Chen, Kunlun Hong, Luping Yu, Seth B. Darling
PTB7 semiconducting copolymer comprising thieno[3,4-b]thiophene and benzodithiophene alternating repeat units set a historic record of solar energy conversion efficiency (7.4%) in polymer:fullerene bulk heterojunction (BHJ) solar cells. To further improve

Tetrathienoanthracene-based Copolymers for Efficient Solar Cells

February 18, 2011
Author(s)
Feng He, Wei Wang, Wei Chen, Tao Xu, Seth B. Darling, Joseph Strzalka, Yun Liu, Luping Yu
A series of semiconducting copolymers (PTAT-x) containing extended π-conjugated tetrathienoanthracene units have been synthesized. It was shown that the extended conjugation system enhanced the π-π stacking in the polymer/ PC 61BM blend films and