Shock Raman spectra and structural transformation of powdered TKX-50 by the plate impact experiments combined with real-time Raman detection

As an energetic material of great interest,the work capacity of dihydroxylammonium 5,5’-bistetrazole-1,1’-diolate(TKX-50)has been questioned recently.Although some research groups have explored the reasons for the low working ability of TKX-50,the plane impact experiment on powdered TKX-50 is obviously closer to the practical application,and the conclusions based on this are more guiding.Hence,we performed shock Hugoniot measurements of powdered TKX-50 between 5.65 and 16.29 GPa.The plane impact experiments of powdered TKX-50 were carried out and the shocked Raman spectra were collected.By Raman spectroscopy analysis,a new peak of powdered TKX-50 was found between19.47 GPa and 24.96 GPa,which may be caused by decomposition/phase transition and was related with the low work capacity.

Evolution of molecular structure of TATB under shock loading from transient Raman spectroscopic technique

By combination of the transient Raman spectroscopic measurement and the density functional theoretical calculations,the structural evolution and stability of TATB under shock compression was investigated.Due to the improvement in synchronization control between two-stage light gas gun and the transient Raman spectra acquisition,as well as the sample preparation,the Raman peak of the N-O mode of TATB was firstly observed under shock pressure up to 13.6 GPa,noticeably higher than the upper limit of 8.5 GPa reported in available literatures.By taking into account of the continuous shift of the main peak and other observed Raman peaks,we did not distinguish any structural transition or any new species.Moreover,both the present Raman spectra and the time-resolved radiation of TATB during shock loading showed that TATB exhibits higher chemical stability than previous declaration.To reveal the detailed structural response and evolution of TATB under compression,the density functional theoretical calculations were conducted,and it was found that the pressure make N-O bond lengths shorter,nitro bond angles larger,and intermolecular and intra-molecular hydrogen bond interactions enhanced.The observed red shift of Raman peak was ascribed to the abnormal enhancement of H-bound effect on the scissor vibration mode of the nitro group.

1,3,5-Trifluorobenzene endorsed EC-free electrolyte for high-voltage and wide-temperature lithium-ion batteries

Ethylene carbonate(EC)is susceptible to the aggressive chemistry of nickel-rich cathodes,making it undesirable for high-voltage lithium-ion batteries(LIBs).The arbitrary elimination of EC leads to better oxidative tolerance but always incurs interfacial degradation and electrolyte decomposition.Herein,an EC-free electrolyte is deliberately developed based on gradient solvation by pairing solvation-protection agent(1,3,5-trifluorobenzene,F_(3)B)with propylene carbonate(PC)/methyl ethyl carbonate(EMC)formulation.F_(3)B keeps out of inner coordination shell but decomposes preferentially to construct robust interphase,inhibiting solvent decomposition and electrode corrosion.Thereby,the optimized electrolyte(1.1 M)with wide liquid range(-70–77℃)conveys decent interfacial compatibility and high-voltage stability(4.6 V for LiNi_(0.6)Mn_(0.2)Co_(0.2)O_(2),NCM622),qualifying reliable operation of practical NCM/graphite pouch cell(81.1%capacity retention over 600 cycles at 0.5 C).The solvation preservation and interface protection from F_(3)B blaze a new avenue for developing high-voltage electrolytes in next-generation LIBs.

First-principles study on the mechanical properties and thermodynamic properties of Mo-Ta alloys

The mechanical properties,thermodynamic properties and electronic structure of Mo1-xTax(Mo-Ta)alloys(x=0,0.0625,0.125,0.25,0.3125,0.5 and 1)were calculated by using firstprinciples.The electronic structure of Mo-Ta alloys was analysed by the projected density of states(PDOS).The low temperature heat capacity was estimated by Fermi energy and Debye temperature.It is shown that the formation enthalpy will decrease with the increase of Ta content,and the cohesive energy will increase with the increase of the Ta content.On the other hand,the addition of Ta atoms will reduce the strength and improve the ductility of Mo-Ta alloys,the Debye temperature will decrease and the low temperature heat capacity will be improved with the increase of the Ta content.All these results will be useful for the research of new plasma grid(PG)materials,which is mainly used in neutral beam injection(NBI)systems to produce negative hydrogen ions.

Measurement on the Harmony Coefficient of Agro-eco-economic System in the Arid Region

On the basis of the present research progress of ecological agriculture,we take Minle County and Linze County located in the middle reaches of Heihe River as the typical research units.Based on the rural social and economic data during the period of 2000-2010,theory and method of mathematical statistics are used to establish the measure theory and model of agro-eco-economic system harmony coefficient,including efficacy function,function of harmony coefficient,harmony coefficient and level of harmony coefficient.Based on the actual situation of research region,evaluation indicator system of agro-eco-economic system is established and measurement is carried out.Results show that the regional agro-eco-economic system in research region was in a serious imbalance in 2000-2013.The harmony coefficient of Minle showed a slight rise from 2000 to 2004,and then presented a fluctuating decline.Its rank of harmony coefficient experienced serious imbalance-extreme imbalance-moderate imbalance-low imbalance-serious imbalance-high imbalance.At the same time,the similar tendency happened in Linze County.The measuring results of subsystem in 2000-2013 further indicated that except that the harmony coefficient of economic subsystem in Minle County and Linze County was moderate and high,the ecological subsystem was at Level II and Level III,and social subsystem was at Level IV and Level III,in high and low imbalance status.Finally,several recommendations were put forward for optimizing agro-eco-economic system.

How Do the Nucleons Pack in an Atomic Nucleus?

A nuclear structure model of “ring plus extra nucleon” is proposed. For nuclei larger than 4He, protons (P) and neutrons (N) are basically bound alternatively to form a ZP + ZN ring. The ring folds with a “bond angle” of 90° for every 3 continuous nucleons to make the nucleons packed densely. Extra N(‘s) can bind to ring-P with the same “bond angle” and “bond distance”. When 2 or more P’s are geometrically available, the extra N tends to be stable. Extra P can bind with ring N in a similar way when the ratio of N/P < 1 although the binding is weaker than that of extra N. Even-Z rings, as well as normal even-even nuclei, always have superimposed gravity centers of P and N;while for odd-Z rings, as well as all odd-A (A: number of nucleon) nuclei, the centers of P and N must be eccentric. The eccentricity results in a depression of binding energy (EB) and therefore odd and even Z dependent zigzag features of EB/A. This can be well explained by the shift of eccentricity by extra nucleons. Symmetrical center may present in even-Z rings and normal even-even nuclei. While for odd-Z ring, only antisymmetric center (every P can find an N through the center and vice versa) is possible. Based on this model, a pair of mirror nuclei, PX+nNX and PXNX+n, should be equivalent in packing structure just like black-white photo and the negative film. Therefore, an identical spin and parity was confirmed for any pair. In addition, the EB/A difference of mirror nuclei pair is nearly a constant of 0.184n MeV. Many other facts can also be easily understood from this model, such as the neutron halo, the unusual stability sequence of 9Be, 7Be and 8Be and so on.

Influences of Graupel Microphysics on CMA-GFS Simulation of Summer Regional Precipitation

The horizontal resolution of global numerical weather prediction models is continuously developing. However, due to the imperfect precipitation simulation/forecast of these models, the demand for considering riming particles in cloud microphysical schemes in these models is increasing. This study employed the latest versions of global atmospheric reanalysis data (ERA5), the satellite retrieval data of the Global Precipitation Observation Program (GPM),and station precipitation observations to explore the impacts of adding graupel to the cloud microphysical scheme in the China Meteorological Administration-Global Forecast System (CMA-GFS) on summer regional precipitation simulations in four Chinese climate zones. The results verify that the new graupel scheme can enable CMA-GFS to decently predict global graupel distribution, especially in tropical and midlatitude regions. The addition of graupel in the cloud microphysics increases the precipitation simulation in North China, while that in Southwest China is weakened and dispersed. Moreover, graupel scheme increases the precipitation simulations of almost all magnitudes.The increase in light rain is obvious, and the absolute value of heavy rain is strengthened. This may be because graupel quickly melts into rain after falling out of the zero-temperature layer due to its large mass and fast falling speed, increasing surface precipitation. In summary, the addition of graupel in the cloud microphysical scheme can improve CMA-GFS’s underestimation of strong precipitation.

Simulation Study of Cloud Properties Affected by Heterogeneous Nucleation Using the GRAPES＿SCM during the TWP-ICE Campaign

This study used the Global/Regional Assimilation and PrEdiction System Single-Column Model(GRAPES_SCM)to simulate monsoon precipitation with deep convective cloud and associated cirrus during the Tropical Warm Pool International Cloud Experiment(TWP-ICE),especially during the active and suppressed monsoon periods.Four cases with different heterogeneous nucleation parameterizations were simulated by using the ensemble method.All simulations clearly separated the active and suppressed monsoon periods,and they reproduced the major characteristics of monsoonal cloud such as the total cloud hydrometeor mixing ratio distribution,and precipitation and radiation properties.The results showed that the number concentration production rate of different heterogeneous nucleation parameterizations varied substantially under the given temperature and water vapor mixing ratio.However,ice formation and precipitation during the monsoon period were affected only slightly by the different heterogeneous nucleation parameterizations.This study also captured clear competition between different ice formation processes.