Results 51 to 60 of about 49,182 (344)

Photoelasticity of sodium silicate glass from first principles

, 2004
Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition (Na$_2$O)$_{0.25}$(SiO$_2$)$_{0.75}$ (NS3).
D. Donadio, D. Murnaghan, D. Vanderbilt, F. Tassone, J. E. Raynolds, J. Horbach, J. Schroeder, M. Bernasconi, P. Vashishta   +8 more
core   +1 more source

Simultaneous aluminum, silicon, and sodium coordination changes in 6 GPa sodium aluminosilicate glasses [PDF]

, 2009
We present the first direct observation of high-coordinated Si and Al occurring together in a series of high-pressure sodium aluminosilicate glasses, quenched from melts at 6 GPa.
Asimow, Paul D., Kelsey, Kimberly E., Mosenfelder, Jed L., Stebbins, Jonathan F.   +3 more
core   +1 more source

Energy dependence of Normal Branch Oscillation in Scorpius X-1

, 2012
We report the energy dependence of normal branch oscillations (NBOs) in Scorpius X-1, a low-mass X-ray binary Z-source. Three characteristic quantities (centroid frequency, quality factor, and fractional root-mean-squared (rms) amplitude) of a quasi ...
Chang, H. -K., Liu, C. -Y., Wang, J.
core   +2 more sources

Fully coordinated silica nanoclusters: (SiO2)(N) molecular rings [PDF]

, 2003
A new form of finite silica with edge-sharing SiO2 units connected in a ring is proposed. High-level density-functional calculations for (SiO2)(N), N = 4-14, show the rings to be energetically more stable than the corresponding (SiO2)(N) linear chains ...
Bromley, ST, Maschmeyer, T, Zwijnenburg, MA   +2 more
core   +1 more source

Highly Stable Low‐Temperature Phosphate Glass as a Platform for Multimaterial 3D Printing of Integrated Functional Microfluidic Devices

Advanced Engineering Materials, EarlyView.
A highly stable, low‐temperature phosphate glass is developed for multimaterial additive manufacturing of multifunctional microfluidics. Glass, metal conductors, and sacrificial polymer are coprinted, enabling monolithic fabrication. The sacrificial paste forms precise channels and decomposes during sintering.
Babak Mazinani, Mustafa M. Fadlelmula, Vivek Subramanian   +2 more
wiley   +1 more source

Electronic signature of the vacancy ordering in NbO (Nb3O3)

, 2017
We investigated the electronic structure of the vacancy-ordered 4d-transition metal monoxide NbO (Nb3O3) using angle-integrated soft- and hard-x-ray photoelectron spectroscopy as well as ultra-violet angle-resolved photoelectron spectroscopy.
Altendorf, S. G., Chen, C. T., Efimenko, A. K., Hoefer, K., Hollmann, N., Hsieh, H. H., Hu, Z., Kasinathan, D., Komarek, A. C., Liao, Y. F., Lin, H. -J., Nugroho, A. A., Rata, A. D., Takegami, D., Tjeng, L. H., Tsuei, K. -D., Weinen, J., Wolff, K. K.   +17 more
core   +1 more source

Higher‐Order Temporal Dynamics in Complementary Charge Trap Memristor for High‐Dimensional Reservoir Computing

Advanced Functional Materials, EarlyView.
A complementary charge‐trap memristor (CoCTM) featuring a unique current transient with tunable overshoot‐relaxation dynamics is introduced for high‐resolution reservoir computing. By leveraging higher‐order temporal dynamics from engineered trapping layers, the device generates multiple output states from a single input, forming rich, high‐dimensional
Alba Martinez, Younghyun Lee, Geunyoung Kim, Woojoon Park, Jingyao Yu, Sooyeon Narie Kay, Eun Young Kim, Hakseung Rhee, Do Hoon Kim, Kyung Min Kim   +9 more
wiley   +1 more source

Siloxane‐Functionalized Silicon Phthalocyanine OTFTs: High Hole Mobility and Unexpected p‐Type Character

Advanced Functional Materials, EarlyView.
In this paper, the first use of a siloxane‐substituted silicon phthalocyanine (iso(Si3O)2SiPc) in OTFTs is reported. Moreover, this compound displays the highest hole mobility (exceeding 1 cm2 V−1 s−1) ever recorded for SiPc, and the GIWAXS study reveals thin films with an exceptionally uniform crystalline texture.
Nicolas Ledos, Halynne R. Lamontagne, Joseph Manion, Frédéric Castet, Benoît H. Lessard, Jaclyn L. Brusso   +5 more
wiley   +1 more source

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

Molecular structure, vibrational spectra, NBO, Fukui function, HOMO-LUMO analysis and molecular docking study of 6-[(2-methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

Macedonian Journal of Chemistry and Chemical Engineering, 2017
Theoretical and experimental FT-IR and FT-Raman vibrational spectral analysis of 6-[(2-methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione have been recorded in the region 4000-400 cm-1 and 4000-100 cm-1 insolid phase.
Haitham AlRabiah, S Muthu, Fatmah Al-Omary, Abdul-Malek Al-Tamimi, M Raja, R Raj Muhamed, Ali Abdel-Rahman El-Emam   +6 more
doaj   +1 more source