scholarly journals CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling

2019 ◽  
Vol 10 (43) ◽  
pp. 10018-10024 ◽  
Author(s):  
Arpan Hazra ◽  
Dewald P. van Heerden ◽  
Somananda Sanyal ◽  
Prem Lama ◽  
Catharine Esterhuysen ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Single Crystal ◽  
Intermediate Phase ◽  
Crystallographic Analysis ◽  
Detailed Explanation ◽  
Large Pore

A flexible twofold interpenetrated MOF reversibly switches between closed, narrow and large pore forms. In situ crystallographic analysis of a narrow-pore intermediate phase provides a detailed explanation of a plateau observed during desorption.

scholarly journals Chemistry of cysteine assembly on Au(100): electrochemistry, in situ STM and molecular modeling

Nanoscale ◽  
2019 ◽  
Vol 11 (37) ◽  
pp. 17235-17251
Author(s):  
Christian Engelbrekt ◽  
Renat R. Nazmutdinov ◽  
Tamara T. Zinkicheva ◽  
Dmitrii V. Glukhov ◽  
Jiawei Yan ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Single Crystal ◽  
Computational Approach ◽  
Two Dimensional ◽  
In Situ Stm ◽  
Molecular Forces

Unique two-dimensional super-structures form when cysteine self-assembles on single-crystal Au(100) due to inter-molecular forces and adsorption energetics, addressed through a comprehensive experimental and quantum computational approach.

Crystallographic analysis for fatigue small crack growth behaviors of a nickel-based single crystal by in situ SEM observation

2014 ◽  
Vol 69 ◽  
pp. 80-89 ◽  
Author(s):  
Yangyang Zhang ◽  
Hui-Ji Shi ◽  
Jialin Gu ◽  
Changpeng Li ◽  
Kai Kadau ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crack Growth ◽  
Crystallographic Analysis ◽  
Small Crack ◽  
Sem Observation ◽  
Small Crack Growth

In Situ Monitoring of the Growth, Intermediate Phase Transformations and Templating of Single Crystal VO2 Nanowires and Nanoplatelets

ACS Nano ◽  
2011 ◽  
Vol 5 (4) ◽  
pp. 3373-3384 ◽  
Author(s):  
Evgheni Strelcov ◽  
Albert V. Davydov ◽  
Uday Lanke ◽  
Clay Watts ◽  
Andrei Kolmakov
Keyword(s):  
Single Crystal ◽  
Phase Transformations ◽  
Intermediate Phase ◽  
In Situ Monitoring

Structure of Palladium Single-Crystal Films Prepared by Flash Evaporation onto (001) NaCl Substrates

1970 ◽  
Vol 28 ◽  
pp. 456-457
Author(s):  
L. E. Murr ◽  
G. Wong
Keyword(s):  
Single Crystal ◽  
High Vacuum ◽  
Ultra High Vacuum ◽  
High Rate ◽  
Flash Evaporation ◽  
Optimum Load ◽  
Single Crystal Films ◽  
Crystal Films ◽  
A Current

Palladium single-crystal films have been prepared by Matthews in ultra-high vacuum by evaporation onto (001) NaCl substrates cleaved in-situ, and maintained at ∼ 350° C. Murr has also produced large-grained and single-crystal Pd films by high-rate evaporation onto (001) NaCl air-cleaved substrates at 350°C. In the present work, very large (∼ 3cm2), continuous single-crystal films of Pd have been prepared by flash evaporation onto air-cleaved (001) NaCl substrates at temperatures at or below 250°C. Evaporation rates estimated to be ≧ 2000 Å/sec, were obtained by effectively short-circuiting 1 mil tungsten evaporation boats in a self-regulating system which maintained an optimum load current of approximately 90 amperes; corresponding to a current density through the boat of ∼ 4 × 104 amperes/cm2.

Single Crystal Growth of High-Pressure Phases of Ice and Salt Hydrate Far Below the Original Melting Point by Mixing Alcohol: Crystal Structure Determination of Magnesium Chloride Heptahydrate

2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Growth Technique ◽  
Salt Hydrate ◽  
X Ray

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.

Laser damage mechanism and in-situ observation of stacking fault relaxation in β-Ga2O3 single crystal by EFG method

CrystEngComm ◽  
2021 ◽  
Author(s):  
Bo Fu ◽  
Gaohang He ◽  
Wenxiang Mu ◽  
Yang Li ◽  
Boyuan Feng ◽  
...  
Keyword(s):  
Single Crystal ◽  
Light Field ◽  
Damage Mechanism ◽  
Stacking Fault ◽  
High Light ◽  
Laser Damage ◽  
In Situ Observation ◽  
Structure Destruction

We designed an original and effective method to study the laser damage mechanism of β-Ga2O3 single crystal grown by edge-defined film-fed growth (EFG). The structure destruction under high light field...

In-situ X-ray tomography investigation of pore damage effects during a tensile test of a Ni-based single crystal superalloy

2021 ◽  
pp. 111180
Author(s):  
Keli Liu ◽  
Junsheng Wang ◽  
Bing Wang ◽  
Pengcheng Mao ◽  
Yanhong Yang ◽  
...  
Keyword(s):  
Tensile Test ◽  
Single Crystal ◽  
Single Crystal Superalloy ◽  
X Ray

scholarly journals Crack Propagation Behavior of a Ni-Based Single-Crystal Superalloy during In Situ SEM Tensile Test at 1000 °C

Crystals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1047
Author(s):  
Wenxiang Jiang ◽  
Xiaoyi Ren ◽  
Jinghao Zhao ◽  
Jianli Zhou ◽  
Jinyao Ma ◽  
...  
Keyword(s):  
Crack Propagation ◽  
Tensile Test ◽  
Single Crystal ◽  
Crack Propagation Rate ◽  
Propagation Rate ◽  
Single Crystal Superalloy ◽  
Propagation Path ◽  
Propagation Behavior ◽  
Crack Propagation Behavior

An in situ scanning electron microscope (SEM) tensile test for Ni-based single-crystal superalloy was carried out at 1000 °C. The stress displacement was obtained, and the yield strength and tensile strength of the superalloy were 699 MPa and 826 MPa, respectively. The crack propagation process, consisting of Model I crack and crystallographic shearing crack, was determined. More interestingly, the crack propagation path and rate affected by eutectics was directly observed and counted. Results show that the coalescence of the primary crack and second microcrack at the interface of a γ/γ′ matrix and eutectics would make the crack propagation rate increase from 0.3 μm/s to 0.4 μm/s. On the other hand, crack deflection decreased the rate to 0.05 μm/s. Moreover, movement of dislocations in front of the crack was also analyzed to explain the different crack propagation behavior in the superalloy.

On The Optimized Nucleation of Near-Single-Crystal Cvd Diamond Film

1995 ◽  
Vol 416 ◽  
Author(s):  
L. C. Chen ◽  
C. C. Juan ◽  
J. Y. Wu ◽  
K. H. Chen ◽  
J. W. Teng
Keyword(s):  
Single Crystal ◽  
Photoelectron Spectroscopy ◽  
Morphological Evolution ◽  
Present Report ◽  
Ex Situ ◽  
Nucleation Density ◽  
Induced Current ◽  
Current Time ◽  
Single Crystal Diamond

ABSTRACTNear-single-crystal diamond films have been obtained in a number of laboratories recently. The optimization of nucleation density by using a bias-enhanced nucleation (BEN) method is believed to be a critical step. However, the condition of optimized nucleation has never been clearly delineated. In the present report, a novel quantitative technique was established to monitor the nucleation of diamond in-situ. Specifically, the induced current was measured as a function of nucleation time during BEN. The timedependence of induced current was studied under various methane concentrations as well as substrate temperatures. The optimized nucleation condition can be unambiguously determined from the current-time plot. Besides the in-situ current probe, ex-situ x-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) were also used to investigate the chemical and morphological evolution. Characteristic XPS and AFM features of optimized nucleation is discussed.

Molecular modulation of calcium oxalate crystallization

2006 ◽  
Vol 291 (6) ◽  
pp. F1123-F1132 ◽  
Author(s):  
James J. De Yoreo ◽  
S. Roger Qiu ◽  
John R. Hoyer
Keyword(s):  
Molecular Modeling ◽  
Calcium Oxalate ◽  
Stone Formation ◽  
Energy Levels ◽  
Critical Role ◽  
Specific Interactions ◽  
Crystal Surfaces ◽  
Site Specific

Calcium oxalate monohydrate (COM) is the primary constituent of the majority of renal stones. Osteopontin (OPN), an aspartic acid-rich urinary protein, and citrate, a much smaller molecule, are potent inhibitors of COM crystallization at levels present in normal urine. Current concepts of the role of site-specific interactions in crystallization derived from studies of biomineralization are reviewed to provide a context for understanding modulation of COM growth at a molecular level. Results from in situ atomic force microscopy (AFM) analyses of the effects of citrate and OPN on growth verified the critical role of site-specific interactions between these growth modulators and individual steps on COM crystal surfaces. Molecular modeling investigations of interactions of citrate with steps and faces on COM crystal surfaces provided links between the stereochemistry of interaction and the binding energy levels that underlie mechanisms of growth modification and changes in overall crystal morphology. The combination of in situ AFM and molecular modeling provides new knowledge that will aid rationale design of therapeutic agents for inhibition of stone formation.

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