Search NASA⌕ Search

Engineering topics

Chen, Ning

Publications and source records attributed to Chen, Ning.

14 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Changes in microbial community and network structure precede shrub degradation in a desert ecosystem

Large-scale restoration is intended to promote ecological recovery. Improvements in plant and microbial conditions, however, may slow or even reverse in late succession. To better understand long-term restoration outcomes and underlying drivers of successional pathways, we tracked plant, bacterial and fungal, and soil conditions across a 40-year shrub plantation that was intended to stabilize desertified land in northern China. Here, we found that planted Haloxylon ammodendron shrubs developed and then subsequently became degraded after 30–40 years. Bacterial abundance and α-diversity were much higher than those of fungi, but no significant differences in composition and structure were found in different plantation ages. In contrast, the dominant taxa of fungal communities shifted from symbiotroph and saprotroph species towards pathotroph species with increased soil nutrients in the plantation chronosequence after two decades. The changes in fungal dominant species led to a transition in microbial network structure and function, with an increase in negative linkages among taxa that began in the middle stages of succession. Changes in fungal community structure had direct and indirect negative effects on shrub leaf physiology, root activity, and biomass. Our results highlight the preceding role of a breakdown in soil microbial community composition and network structure on the degradation of shrub performance in long-term desert succession. Our study emphasizes the importance of understanding soil-microbial-plant linkages on restoration outcomes, and mechanisms that can slow or reverse the recovery of ecosystems.

Bacterial and fungal community composition↗
DOE OSTI2023

USc 2 C 2 and USc 2 NC Clusters with U–C Triple Bond Character Stabilized Inside Fullerene Cages

The chemistry of f-block metal–carbon multiple bonds is underdeveloped compared to well-established carbene complexes of the d-block transition metals. Herein, we report two new actinide-rare earth mixed metal carbides and nitrogen carbide cluster fullerenes, USc 2 C 2 @D 5h (6)-C 80 and USc 2 NC@D 5h (6)-C 80 , which contain U–C bonds with triple bond character and were successfully synthesized and characterized by mass spectrometry, UV–vis–NIR spectroscopy, Fourier transform infrared spectroscopy, single crystal X-ray diffraction, and DFT calculations. Crystallographic studies show that the two previously unreported clusters, USc 2 C 2 and USc 2 NC, are stabilized in the D 5h (6)-C 80 carbon cage and adopt unique trifoliate configurations, in which C 2 /NC units are almost vertically inserted into the plane defined by the U and two Sc atoms. Combined experimental and theoretical studies further reveal the bonding structure of USc 2 C 2 and USc 2 NC, which contain C=U(VI)=C and C=U(V)=N bonding motifs. The electronic structures of the two compounds are determined as U 6+ (Sc 2 ) 6+ (C 4– ) 2 @D 5h (6)-C 80 4– and U 5+ (Sc 2 ) 6+ (N) 3– (C) 4– @D 5h (6)-C 80 4– , respectively. Quantum-chemical studies confirm that the U–C bonds in both molecules show unprecedented multicenter triple-bond character. Furthermore, the discovery of this unique U–C multiple bond offers a deeper understanding of the fundamentals of uranium chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A charged diatomic triple-bonded U≡N species trapped in C 82 fullerene cages

Actinide diatomic molecules are ideal models to study elusive actinide multiple bonds, but most of these diatomic molecules have so far only been studied in solid inert gas matrices. Herein, we report a charged U≡N diatomic species captured in fullerene cages and stabilized by the U-fullerene coordination interaction. Two diatomic clusterfullerenes, viz. UN@C s (6)-C 82 and UN@C 2 (5)-C 82 , were successfully synthesized and characterized. Crystallographic analysis reveals U-N bond lengths of 1.760(7) and 1.760(20) Å in UN@C s (6)-C 82 and UN@C 2 (5)-C 82 . Moreover, U≡N was found to be immobilized and coordinated to the fullerene cages at 100 K but it rotates inside the cage at 273 K. Quantum-chemical calculations show a (UN) 2+ @(C 82 ) 2- electronic structure with formal +5 oxidation state (f 1 ) of U and unambiguously demonstrate the presence of a U≡N bond in the clusterfullerenes. This study constitutes an approach to stabilize fundamentally important actinide multiply bonded species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

ThC 2 @C 82 versus Th@C 84 : unexpected formation of triangular thorium carbide cluster inside fullerenes

Synthesis of the first thorium-containing clusterfullerenes, ThC 2 @C s (6)–C 82 and ThC 2 @C 2 (5)–C 82 , is reported. These two novel actinide fullerene compounds were characterized by mass spectrometry, single-crystal X-ray diffraction crystallography, UV–vis–NIR spectroscopy, and theoretical calculations. Crystallographic studies reveal that the encapsulated ThC 2 clusters in both C s (6)–C 82 and C 2 (5)–C 82 feature a novel bonding structure with one thorium metal center connected by a C≡C unit, forming an isosceles triangular configuration, which has not been hitherto observed for endohedral fullerenes or for solid phase thorium carbides. Electronic structure calculations assign a formal electronic structure of [Th 4+ (C 2 ) 2- ] 2+ @[C 82 ] 2- , with pronounced donation bonding from (C 2 ) 2- to Th 4+ , secondary backbonding from the fullerene to thorium and Th–C double bond character in both compounds. This work presents a new family of endohedral fullerenes, MC 2 @C 2n-2 , being unexpected isomers of MC 2n , and provides broader understanding of thorium bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Anharmonicity in partially filled skutterudites Yb x Co 4 Sb 12

Here, we report an experimental investigation of Yb filler ion dynamics in partially filled skutterudite samples Yb x Co 4 Sb 12 ( x = 0.26 and x = 0.4). From extended x-ray absorption fine structure (EXAFS) measurements at the Yb L 2 -edge, the mean-square displacements of the Yb fillers were extracted over a wide temperature range from 10 to 500 K. We found that the low-temperature dynamics of Yb fillers are described well using a harmonic oscillator approximation with Einstein temperatures of 70 ± 5 K for both samples. This finding is consistent with the observed low-energy phonon mode at 5.3(5) meV in the inelastic x-ray scattering (IXS) data. However, the temperature dependence deviates from the harmonic approximation at high temperatures due to significant cubic anharmonicity, which was revealed in the EXAFS cumulant analysis. Our study also demonstrates that complementary information on filler dynamics in skutterudites can be acquired using EXAFS and IXS.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Type-I 2HDM under the Higgs and electroweak precision measurements

We explore the extent to which future precision measurements of the Standard Model (SM) observables at the proposed Z -factories and Higgs factories may have impacts on new physics beyond the Standard Model, as illustrated by studying the Type-I Two-Higgs-doublet model (Type-I 2HDM). We include the contributions from the heavy Higgs bosons at the tree-level and at the one-loop level in a full model-parameter space. While only small tan β region is strongly constrained at tree level, the large tan β region gets constrained at loop level due to tan β enhanced tri-Higgs couplings. We perform a multiple variable χ 2 fit with non-alignment and non-degenerate masses. We find that the allowed parameter ranges could be tightly constrained by the future Higgs precision measurements, especially for small and large values of tan β . Indirect limits on the masses of heavy Higgs bosons can be obtained, which can be complementary to the direct searches of the heavy Higgs bosons at hadron colliders. We also find that the expected accuracies at the Z -pole and at a Higgs factory are quite complementary in constraining mass splittings of heavy Higgs bosons. The typical results are | cos( β - α ) | < 0 . 05 , | Δ m Φ | < 200 GeV, and tan β ≳ 0 . 3. The reaches from CEPC, Fcc-ee and ILC are also compared, for both Higgs and Z -pole precision measurements. Comparing to the Type-II 2HDM, the 95% C.L. allowed range of cos( β - α ) is larger, especially for large values of tan β .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Computational modeling of charge hopping dynamics along a disordered one-dimensional wire with energy gradients in quantum environments

This computational study investigates the effects of energy gradients on charge hopping dynamics along a one-dimensional chain of discrete sites coupled to quantum bath, which is modeled at the level of Pauli master equation (PME). This study also assesses the performance of different approximations for the hopping rates. Three different methods for solving the PME, a fourth order Runge–Kutta method, numerical diagonalization of the rate matrix followed by analytic propagation, and kinetic Monte Carlo simulation method, are tested and confirmed to produce virtually identical values of time dependent mean square displacement, diffusion constant, and mobility. Five different rate expressions, exact numerical evaluation of Fermi’s Golden Rule (FGR) rate, stationary phase interpolation (SPI) approximation, semiclassical approximation, classical Marcus rate, and Miller–Abrahams rate, are tested to help understand the effects of approximations in representing quantum environments in the presence of energy gradients. The results based on direct numerical evaluation of FGR rate exhibit transition from diffusive to non-diffusive behavior with the increase in the gradient and show that the charge transport in the quantum bath is more sensitive to the magnitude of the gradient and the disorder than in the classical bath. Among all the four approximations for the hopping rates, the SPI approximation is confirmed to work best overall. A comparison of two different methods to calculate the mobility identifies drift motion of the population distribution as the major source of non-diffusive behavior and provides more reliable information on the contribution of quantum bath.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗