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Chen, Jun

Publications and source records attributed to Chen, Jun.

At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Tunable thermal expansion and magnetism in Zr-doped ScF 3

The negative thermal expansion (NTE) behavior provides us an opportunity to design materials with controllable coefficient of thermal expansion (CTE). In this letter, we report a tunable isotropic thermal expansion in the cubic (Sc 1-x Zr x )F 3+δ over a wide temperature and CTE range ($α$ l = -4.0 to+ 16.8 x 10 -6 K -1 , 298–648 K). The thermal expansion can be well adjusted from strong negative to zero, and finally to large positive. Intriguingly, isotropic zero thermal expansion ($α$ l = 2.6 x 10 -7 K -1 , 298–648 K) has been observed in the composition of (Sc 0.8 Zr 0.2 )F 3+δ . The controllable thermal expansion in (Sc 1-x Zr x )F 3+δ is correlated to the local structural distortion. Interestingly, the ordered magnetic behavior has been found in the zero thermal expansion compound of (Sc 0.8 Zr 0.2 )F 3+δ at room temperature, which presumably correlates with the unpaired electron of the lower chemical valence of Zr cation. We conclude the present study provides a useful reference to control the thermal expansion and explore the multi-functionalization for NTE materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Segmentally structured disk triboelectric nanogenerator

A generator includes a disc shaped first unit, a disc shaped second unit and an axle. The first unit includes a substrate layer, a double complementary electrode layer and an electrification material layer. The electrode layer includes a first electrode member and a second electrode member. The first electrode member includes evenly spaced apart first electrode legs extending inwardly. The second electrode member is complementary in shape to the first electrode member. The legs of the first electrode member and the second electrode member are interleaved with each other and define a continuous gap therebetween. The electrification material includes a first material that is in a first position on the triboelectric series. The second unit defines elongated openings and corresponding elongated leg portions, and includes a second material that is at a second position on a triboelectric series, different than the first position.

42 ENGINEERING↗
DOE OSTI2016

Atomic Linkage Flexibility Tuned Isotropic Negative, Zero, and Positive Thermal Expansion in MZrF 6 (M = Ca, Mn, Fe, Co, Ni, and Zn)

The controllable isotropic thermal expansion with a broad coefficient of thermal expansion (CTE) window is intriguing but remains challenge. Herein we report a cubic MZrF 6 series (M = Ca, Mn, Fe, Co, Ni and Zn), which exhibit controllable thermal expansion over a wide temperature range and with a broader CTE window (–6.69 to +18.23 × 10 –6 /K). In particular, an isotropic zero thermal expansion (ZTE) is achieved in ZnZrF 6 , which is one of the rarely documented hightemperature isotropic ZTE compounds. By utilizing temperature dependent high-energy synchrotron X-ray total scattering diffraction, it is found that the flexibility of metal···F atomic linkages in MZrF 6 plays a critical role in distinct thermal expansions. The flexible metal···F atomic linkages induce negative thermal expansion (NTE) for CaZrF 6 , whereas the stiff ones bring positive thermal expansion (PTE) for 6. Thermal expansion could be transformed from striking negative, to zero, and finally to considerable positive though tuning the flexibility of metal···F atomic linkages by substitution with a series of cations on M sites of MZrF 6 . In conclusion, the present study not only extends the scope of NTE families and rare high-temperature isotropic ZTE compounds but also proposes a new method to design systematically controllable isotropic thermal expansion frameworks from the perspective of atomic linkage flexibility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Giant Polarization and High Temperature Monoclinic Phase in a Lead-Free Perovskite of Bi(Zn 0.5 Ti 0.5 )O 3 -BiFeO 3

Lead-free piezoelectrics have attracted increasing attention due to the awareness of lead toxicity to the environment. Here, a new Bi-based lead-free perovskite of (1-x)Bi(Zn 0.5 Ti 0.5 )O 3 -xBiFeO 3 has been synthesized via high-pressure and high-temperature method. It exhibits interest-ing properties of giant polarization, morphotropic phase boundary (MPB), and monoclinic phase. In particular, large tetragonality ( c/a = 1.228) and giant spontaneous polariza-tion of 110 μC/cm 2 has been obtained in 0.6Bi(Zn 0.5 Ti 0.5 )O 3 -0.4BiFeO 3 , which is much higher than most available lead-free materials and conventional Pb(Zr,Ti)O 3 . MPB is clearly identified to be constituted by tetragonal and monoclinic phases at x = 0.5. Notably, a single monoclinic phase has been observed at x = 0.6, which exhibits an intriguing high temperature property. In conclusion, the present results are helpful to explore new lead-free MPB systems in bismuth-based compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Time Dependent Data Mining in RAVEN

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The goal of this type of analyses is to understand the response of such systems in particular with respect their probabilistic behavior, to understand their predictability and drivers or lack of thereof. Data mining capabilities are the cornerstones to perform such deep learning of system responses. For this reason static data mining capabilities were added last fiscal year (FY 15). In real applications, when dealing with complex multi-scale, multi-physics systems it seems natural that, during transients, the relevance of the different scales, and physics, would evolve over time. For these reasons the data mining capabilities have been extended allowing their application over time. In this writing it is reported a description of the new RAVEN capabilities implemented with several simple analytical tests to explain their application and highlight the proper implementation. The report concludes with the application of those newly implemented capabilities to the analysis of a simulation performed with the Bison code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Status on the Development of a Modeling and Simulation Framework for the Economic Assessment of Nuclear Hybrid Energy

Continued effort to design and build a modeling and simulation framework to assess the economic viability of Nuclear Hybrid Energy Systems (NHES) was undertaken in fiscal year (FY) 2016. The purpose of this report is to document the various tasks associated with the development of such a framework and to provide a status of their progress. Several tasks have been accomplished. First, a synthetic time history generator has been developed in RAVEN, which consists of Fourier series and autoregressive moving average model. The former is used to capture the seasonal trend in historical data, while the latter is to characterize the autocorrelation in residue time series (e.g., measurements with seasonal trends subtracted). As demonstration, both synthetic wind speed and grid demand are generated, showing matching statistics with database. In order to build a design and operations optimizer in RAVEN, a new type of sampler has been developed with highly object-oriented design. In particular, simultaneous perturbation stochastic approximation algorithm is implemented. The optimizer is capable to drive the model to optimize a scalar objective function without constraint in the input space, while the constraints handling is a work in progress and will be implemented to improve the optimization capability. Furthermore, a simplified cash flow model of the performance of an NHES in the electric market has been developed in Python and used as external model in RAVEN to confirm expectations on the analysis capability of RAVEN to provide insight into system economics and to test the capability of RAVEN to identify limit surfaces. Finally, an example calculation is performed that shows the integration and proper data passing in RAVEN of the synthetic time history generator, the cash flow model and the optimizer. It has been shown that the developed Python models external to RAVEN are able to communicate with RAVEN and each other through the newly developed RAVEN capability called “EnsembleModel”.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Communication: Fitting potential energy surfaces with fundamental invariant neural network

A more flexible neural network (NN) method using the fundamental invariants (FIs) as the input vector is proposed in the construction of potential energy surfaces for molecular systems involving identical atoms. Mathematically, FIs finitely generate the permutation invariant polynomial (PIP) ring. In combination with NN, fundamental invariant neural network (FI-NN) can approximate any function to arbitrary accuracy. Because FI-NN minimizes the size of input permutation invariant polynomials, it can efficiently reduce the evaluation time of potential energy, in particular for polyatomic systems. In this work, we provide the FIs for all possible molecular systems up to five atoms. Potential energy surfaces for OH{sub 3} and CH{sub 4} were constructed with FI-NN, with the accuracy confirmed by full-dimensional quantum dynamic scattering and bound state calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Operations Optimization of Nuclear Hybrid Energy Systems

We proposed a plan for nuclear hybrid energy systems (NHES) as an effective element to incorporate high penetration of clean energy. Our paper focuses on the operations optimization of two specific NHES configurations to address the variability raised from various markets and renewable generation. Both analytical and numerical approaches are used to obtain the optimization solutions. Furthermore, key economic figures of merit are evaluated under optimized and constant operations to demonstrate the benefit of the optimization, which also suggests the economic viability of considered NHES under proposed operations optimizer. Furthermore, sensitivity analysis on commodity price is conducted for better understanding of considered NHES.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

WHY IS A FLARE-RICH ACTIVE REGION CME-POOR?

Solar active regions (ARs) are the major sources of two of the most violent solar eruptions, namely flares and coronal mass ejections (CMEs). The largest AR in the past 24 years, NOAA AR 12192, which crossed the visible disk from 2014 October 17 to 30, unusually produced more than one hundred flares, including 32 M-class and 6 X-class ones, but only one small CME. Flares and CMEs are believed to be two phenomena in the same eruptive process. Why is such a flare-rich AR so CME-poor? We compared this AR with other four ARs; two were productive in both and two were inert. The investigation of the photospheric parameters based on the SDO /HMI vector magnetogram reveals that the flare-rich AR 12192, as with the other two productive ARs, has larger magnetic flux, current, and free magnetic energy than the two inert ARs but, in contrast to the two productive ARs, it has no strong, concentrated current helicity along both sides of the flaring neutral line, indicating the absence of a mature magnetic structure consisting of highly sheared or twisted field lines. Furthermore, the decay index above the AR 12192 is relatively low, showing strong constraint. These results suggest that productive ARs are always large and have enough current and free energy to power flares, but whether or not a flare is accompanied by a CME is seemingly related to (1) the presence of a mature sheared or twisted core field serving as the seed of the CME, or (2) a weak enough constraint of the overlying arcades.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Domain wall and interphase boundary motion in (1−x)Bi(Mg{sub 0.5}Ti{sub 0.5})O{sub 3}–xPbTiO{sub 3} near the morphotropic phase boundary

Electric field-induced changes in the domain wall motion of (1−x)Bi(Mg{sub 0.5}Ti{sub 0.5})O{sub 3}–xPbTiO{sub 3} (BMT-xPT) near the morphotropic phase boundary (MPB) where x = 0.37 (BMT-37PT) and x = 0.38 (BMT-38PT), are studied by means of synchrotron x-ray diffraction. Through Rietveld analysis and profile fitting, a mixture of coexisting monoclinic (Cm) and tetragonal (P4mm) phases is identified at room temperature. Extrinsic contributions to the property coefficients are evident from electric-field-induced domain wall motion in both the tetragonal and monoclinic phases, as well as through the interphase boundary motion between the two phases. Domain wall motion in the tetragonal and monoclinic phases for BMT-37PT is larger than that of BMT-38PT, possibly due to this composition's closer proximity to the MPB. Increased interphase boundary motion was also observed in BMT-37PT. Lattice strain, which is a function of both intrinsic piezoelectric strain and elastic interactions of the grains (the latter originating from domain wall and interphase boundary motion), is similar for the respective tetragonal and monoclinic phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The Distortion‐Adjusted Change of Thermal Expansion Behavior of Cubic Magnetic Semiconductor (Sc 1− x M x )F 3 (M = Al, Fe)

For the study of negative thermal expansion (NTE) compounds, it is critical to effectively control the thermal expansion. In this letter, a chemical approach has been taken to control the thermal expansion behavior in ScF 3 which has a strong NTE. Owing to the difference of radius of substituting ions, local distortion inevitably emerges in the lattice matrix, which is verified by pair distribution function analysis of high‐resolution synchrotron X‐ray scattering. It is a valuable clue that the thermal expansion behaviors in the ScF 3 based systems and other trifluorides are correlated closely to structural distortion of metal‐F‐metal linkages. In addition, the introduction of 3 d transition‐metal enables its semiconductor and ferromagnetic characteristics. This study provides important reference opinion for the control of thermal expansion and introduction of multifunctionalization for those NTE compounds with open framework structure.

Han, Fei↗
DOE OSTI2016

System for harvesting water wave energy

A generator for harvesting energy from water in motion includes a sheet of a hydrophobic material, having a first side and an opposite second side, that is triboelectrically more negative than water. A first electrode sheet is disposed on the second side of the sheet of a hydrophobic material. A second electrode sheet is disposed on the second side of the sheet of a hydrophobic material and is spaced apart from the first electrode sheet. Movement of the water across the first side induces an electrical potential imbalance between the first electrode sheet and the second electrode sheet.

13 HYDRO ENERGY↗
DOE OSTI2016

Nuclear Data Sheets for A = 42

The experimental data are evaluated for known nuclides of mass number A = 42 (Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr). Detailed evaluated level properties and related information are presented, including adopted values of level and γ–ray energies, decay data (energies, intensities and placement of radiations), and other spectroscopic data. This work supersedes earlier full evaluations of A = 42 published by B. Singh, J.A. Cameron – Nucl.Data Sheets 92, 1 (2001) and P.M. Endt – Nucl. Phys. A521, 1 (1990); Errata and Addenda Nucl. Phys. A529, 763 (1991); Errata Nucl. Phys. A564, 609 (1993) (also P.M. Endt – Nucl. Phys. A633, 1 (1998) update). No excited states are known in {sup 42}Al, {sup 42}P, {sup 42}V and {sup 42}Cr, and structure information for {sup 42}Si and {sup 42}S is quite limited. There are no decay schemes available for the decay of {sup 42}Al, {sup 42}Si, {sup 42}P, {sup 42}V and {sup 42}Cr, while the decay schemes of {sup 42}Cl and {sup 42}Ti are incomplete in view of scarcity of data, and large gap between their Q–values and the highest energy levels populated in corresponding daughter nuclei. Structures of {sup 42}Ca, {sup 42}K, {sup 42}Sc and {sup 42}Ar nuclides remain the most extensively studied via many different nuclear reactions and decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Operations Optimization of Hybrid Energy Systems under Variable Markets

Hybrid energy systems (HES) have been proposed to be an important element to enable increasing penetration of clean energy. This paper investigates the operations flexibility of HES, and develops a methodology for operations optimization to maximize its economic value based on predicted renewable generation and market information. The proposed operations optimizer allows systematic control of energy conversion for maximal economic value, and is illustrated by numerical results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

New insights into the negative thermal expansion: Direct experimental evidence for the “guitar-string” effect in cubic ScF 3

The understanding of the negative thermal expansion (NTE) mechanism remains challenging but critical for the development of NTE materials. This study sheds light on NTE of ScF 3 , one of the most outstanding materials with NTE. The local dynamics of ScF 3 has been investigated by a combined analysis of synchrotron-based X-ray total scattering, ex-tended X-ray absorption fine structure and neutron powder diffraction. Very interestingly, we observe that i) the Sc-F nearest-neighbor distance strongly expands with increasing temperature while the Sc-Sc next-nearest-neighbor distance contracts, ii) the thermal ellipsoids of relative vibrations be-tween Sc-F nearest-neighbors are highly elongated in the direction perpendicular to the Sc-F bond, indicating that the Sc-F bond is much softer to bend than to stretch, and iii) there is mainly dynamically transverse motion of fluorine atoms, rather than static shifts. Here, these results are the direct experimental evidence for the NTE mechanism, in which the rigid unit is not necessary for the occurrence of NTE, and the key role is played by the transverse thermal vibrations of fluorine atoms through the “guitar-string” effect.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Modeling, control, and dynamic performance analysis of a reverse osmosis desalination plant integrated within hybrid energy systems

An RO (reverse osmosis) desalination plant is proposed as an effective, FLR (flexible load resource) to be integrated into HES (hybrid energy systems) to support various types of ancillary services to the electric grid, under variable operating conditions. To study the dynamic (transient) analysis of such system, among the various unit operations within HES, special attention is given here to the detailed dynamic modeling and control design of RO desalination process with a spiral-wound membrane module. The model incorporates key physical phenomena that have been investigated individually into a dynamic integrated model framework. In particular, the solution-diffusion model modified with the concentration polarization theory is applied to predict RO performance over a large range of operating conditions. Simulation results involving several case studies suggest that an RO desalination plant, acting as a FLR, can provide operational flexibility to participate in energy management at the utility scale by dynamically optimizing the use of excess electrical energy. Here, the incorporation of additional commodity (fresh water) produced from a FLR allows a broader range of HES operations for maximizing overall system performance and profitability. For the purpose of assessing the incorporation of health assessment into process operations, an online condition monitoring approach for RO membrane fouling supervision is addressed in the case study presented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Hydration and Thermal Expansion in Anatase Nanoparticles

A tunable thermal expansion is reported in nanosized anatase by taking advantage of surface hydration. The coefficient of thermal expansion of 4 nm TiO2 along a-axis is negative with a hydrated surface and is positive without a hydrated surface. High-energy synchrotron X-ray pair distribution function analysis combined with ab initio calculations on the specific hydrated surface are carried out to reveal the local structure distortion that is responsible for the unusual negative thermal expansion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗