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Yang, Xiaoning

Publications and source records attributed to Yang, Xiaoning.

12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Concentration Dependent Interfacial Chemistry of the NaOH(aq):Gibbsite Interface

Caustic conditions are often employed for dissolution of a wide variety of minerals, where ion sorption, surface diffusion, and interfacial organization impact surface reactivity. In the case of gibbsite, gamma-Al(OH)3, the chemistry at the NaOH(aq) interface is deeply intertwined with industrial processing of aluminum, including metal production and the disposition of Al-containing wastes. To date, little is known about the structure, speciation, and dynamic behavior of gibbsite interfaces (and that of many other minerals) with NaOH(aq)—particularly as a function of ionic strength. Yet concentration-dependent interfacial organization and dynamics are a critical starting point to develop a fundamental understanding of the factors that influence dissolution. This work reports equilibrium molecular dynamics simulations of the gamma-Al(OH)3:NaOH(aq) interface, revealing the sorption behavior and speciation of ions from 0.5–10 M [NaOH]. As inner-sphere complexes, Na+ primarily coordinates to the side of the gibbsite hexagonal cavities, while OH accepts hydrogen-bonding from the surface-OH groups. The mobility of inner-sphere Na+ and OH ions is significantly reduced due to a strong surface affinity in comparison to previous reports of NaCl, CaCl2, or BaCl2 electrolytes. At high [NaOH], contact ion pairing that is observed in the bulk solution is partially disrupted upon sorption to the gibbsite surface by the individual ion–surface interactions. The molecular-scale changes to surface speciation and competition between ion–surface vs. ion–ion interactions influence surface characterization of gibbsite and potential dissolution processes, providing a valuable baseline for starting conditions needed within future reactive molecular simulations.

alkaline solutions, IDREAM, gibbsite, molecular dy↗
DOE OSTI2017

The lateral variation of P n velocity gradient under Eurasia

We report that mantle lid P wave velocity gradient, or P n velocity gradient, reflects the depth and lateral variations of thermal and rheological state of the uppermost mantle. Mapping the P n velocity gradient and its lateral variation helps us gain insight into the temperature, composition, and dynamics of the uppermost mantle. In addition, because P n velocity gradient has profound influence on P n propagation behavior, an accurate mapping of P n velocity gradient also improves the modeling and prediction of P n travel times and amplitudes. In this study, I used measured P n travel times to derive path-specific P n velocity gradients. I then inverted these velocity gradients for two-dimensional (2-D) P n velocity-gradient models for Eurasia based on the assumption that a path-specific Pn velocity gradient is the mean of laterally varying P n velocity gradients along the P n path. Result from a Monte Carlo simulation indicates that the assumption is appropriate. The 2-D velocity-gradient models show that most of Eurasia has positive velocity gradients. High velocity gradients exist mainly in tectonically active regions. Most tectonically stable regions show low and more uniform velocity gradients. In conclusion, strong velocity-gradient variations occur largely along convergent plate boundaries, particularly under overriding plates.

58 GEOSCIENCES↗
DOE OSTI2017

New Source Model for Chemical Explosions

With sophisticated inversion scheme, we recover characteristics of SPE explosions such as corner frequency f c and moment M 0 , which are used to develop a new source model for chemical explosions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

Pn Geometric Spreading

Pn geometric-spreading model that accounts for the sphericity of the Earth.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Source spectra of the first four Source Physics Experiments (SPE) explosions from the frequency-domain moment-tensor inversion

In this study, I used seismic waveforms recorded within 2 km from the epicenter of the first four Source Physics Experiments (SPE) explosions to invert for the moment-tensor spectra of these explosions. I employed a one-dimensional (1D) Earth model for Green's function calculations. The model was developed from P- and R g -wave travel times and amplitudes. I selected data for the inversion based on the criterion that they had consistent travel times and amplitude behavior as those predicted by the 1D model. Due to limited azimuthal coverage of the sources and the mostly vertical-component-only nature of the dataset, only long-period, volumetric components of the moment-tensor spectra were well constrained.

58 GEOSCIENCES↗
DOE OSTI2016

SPE-5 Ground-Motion Prediction at Far-Field Geophone and Accelerometer Array Sites and SPE-5 Moment and Corner-Frequency Prediction

This report offers predictions for the SPE-5 ground-motion and accelerometer array sites. These predictions pertain to the waveform and spectral amplitude at certain geophone sites using Denny&Johnson source model and a source model derived from SPE data; waveform, peak velocity and peak acceleration at accelerometer sites using the SPE source model and the finite-difference simulation with LLNL 3D velocity model; and the SPE-5 moment and corner frequency.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Direct Observation of Sulfur Radicals as Reaction Media in Lithium Sulfur Batteries

Lithium sulfur (Li-S) battery has been regaining tremendous interest in recent years because of its attractive attributes such as high gravimetric energy, low cost and environmental benignity. However, it is still not conclusively known how polysulfide ring/chain participates in the whole cycling and whether the discharge and charge processes follow the same pathway. Herein, we demonstrate the direct observation of sulfur radicals by using in situ electron paramagnetic resonance (EPR) technique. Based on the concentration changes of sulfur radicals at different potentials and the electrochemical characteristics of the cell, it is revealed that the chemical and electrochemical reactions in Li-S cell are driving each other to proceed through sulfur radicals, leading to two completely different reaction pathways during discharge and charge. The proposed radical mechanism may provide new perspectives to investigate the interactions between sulfur species and the electrolyte, inspiring novel strategies to develop Li-S battery technology.

25 ENERGY STORAGE↗