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Chinese Physics B 2013年第10期22卷 213-225页

作者：赵(吴)为克 Department of Chemical and Materials engineering National Kaohsiung University of Applied Sciences Group 1101 State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of Sciences victor basic research laboratory e.v.gadderbaumer-str.22 D-33602 BielefeldGermany

Quasi-classical trajectory calculations of the title reactions H ＋ C1F （v = 0-5, j = 0, 3,6, 9） -＋ HCl ＋ F and H ＋ C1F （v = 0-5, j =0, 3, 6, 9） → HF ＋ C1 at erel = 0.5 kcal/mol-20 kcal/mol on ground potential energy surface DHTSN of 1 2AI [M. e Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje and D. J. Nesbitt, J. Chem. Phys. 124, 224303 （2006）] are performed. Potential energy surfaces derived from DHTSN for the title reactions are obtained, and compared with that of DHTSN for the reaction F ＋ HC1 -＋ HF ＋ C1. Both potential energy surfaces have an early barrier pattern. Integral cross sections and alignments of product molecules HC1 and HF dependent on the internal energy states v and j of reactant molecule C1F are obtained and compared. Translational, vibrational, and rotational energy specific translational enhancements of the reactant molecule CIF of the title reactions are found. Reaction mechanisms of the title reactions according to the respective potential energy contours are further found and explained. Reasons of simultaneous translational and vibrational enhancements are clarified.

关键词： quasi-classical trajectory calculation integral cross section alignment TRv enhancement

Pathogenic and therapeutic role of exosomes in neurodegenerative disorders

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Neural Regeneration research 2024年第1期19卷 75-79页

作者： Christa C.Huber Hongmin Wang Division of basic Biomedical Sciences Sanford School of MedicineUniversity of South DakotaVermillionSDUSA

Neurodegenerative disorders affect millions of people worldwide,and the prevalence of these disorders is only projected to rise as the number of people over 65 will drastically increase in the coming *** therapies exist to aid in symptomatic relief,effective treatments that can stop or reve rse the progress of each neurodegenerative disease are ***,research on the role of extracellular vesicles as disease markers and therapeutics has been intensively ***,30-150 nm in diameter,are one type of extracellular vesicles facilitating cell-to-cell *** are thought to play a role in disease propagation in a variety of neurodegenerative diseases,such as Alzheimer's disease,Parkinson s disease,and amyotrophic lateral ***,the exosomes derived from the patients are an invaluable source of disease *** the other hand,exosomes,especially those derived from stem cells,could serve as a therapeutic for these disorders,as seen by a rapid increase in clinical trials investigating the therapeutic efficacy of exosomes in different neurological *** review summarizes the pathological burden and therapeutic approach of exosomes in neurodegenerative *** also highlight how heat shock increases the yield of exosomes while still maintaining their therapeutic ***,this review concludes with outstanding questions that remain to be addressed in exosomal research.

关键词： aging Alzheimer's disease biomarker drug exosome extracellular vesicle neurodegenerative disease Parkinson's disease therapy

Deformation and phase transformation behaviors of a high Nb-containing TiAl alloy compressed at intermediate temperatures

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Journal of Materials Science & Technology 2022年第7期102卷 89-96页

作者： Xu Liu Lin Song Andreas Stark Uwe Lorenz Zhanbing He Junpin Lin Florian Pyczak Tiebang Zhang State Key laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Institute of Materials research Helmholtz-Zentrum GeesthachtMax Planck-Str.1Geesthacht 21502Germany State Key laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China

In modernβ-solidified TiAl alloys,the decomposition of α_(2) phase is frequently observed during heat treatment or high-temperature deformation of the *** this study,high-temperature deformation and decomposition mechanisms of α_(2) phase in a Ti-45Al-8.5Nb-0.2B-0.2W-0.02Y alloy are *** a sample deformed at 800℃,the precipitation ofβ_(o)(ω_(o))phase is observed within the equiaxed α_(2) *** nucleation ofω_(o) particles within theβ_(o) matrix indicates the α_(2)→β_(o)→ω_(o) *** addition,numerous y phase precipitates form within theβ_(o)(ω)*** α_(2) lamellae decompose into ultrafine( α_(2)+γ)lamellae and coarsened y lamellae via α_(2)→ α_(2)+γand α_(2)→γtransformation,***,theω_(o) phase nucleates within the ultrafine lamellae via α_(2)→ω_(o) ***,in a sample deformed at 1000℃,the nucleation ofβ_(o) particles is sluggish,which is caused by the efficient release of the internal stress via dynamic recrystallization(DRX).These results indicate that complex phase transformations can be introduced by the decomposition of α_(2) phase in TiAl alloys with a high amount ofβ-stabilizing elements.

关键词： TiAl alloys Phase transformation Microstructure electron microscopy

Anisotropy of wrought magnesium alloys: A focused overview

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Journal of Magnesium and Alloys 2022年第6期10卷 1476-1510页

作者： Baodong Shi Chong Yang Yan Peng Fucheng Zhang Fusheng Pan National engineering research Center for equipment and Technology of Cold Rolled strip School of Mechanical EngineeringYanshan UniversityHebei-West-Str.438Qinhuangdao 066004PR China State Key laboratory of Metastable Materials Science and Technology Yanshan UniversityQinhuangdao 066004PR China National engineering research Center for Magnesium Alloys(CCMg) Chongqing UniversityChongqing 400044PR China

In this paper, the relationship between anisotropic mechanical properties and the corresponding microstructure evolution of wrought magnesium alloys is critically reviewed. experimental observations of the strong anisotropy(including the strength differential effect) induced by texture and twinning are discussed under different loading conditions(i.e., monotonic, cyclic and multiaxial loading). An accurate constitutive model is essential to describe the mechanical responses and to predict the forming performance considering engineering applications. Therefore, macroscale constitutive modeling of the anisotropy of magnesium alloys with directional distortional hardening are comprehensively reviewed with different approaches. To clarify the origin of the anisotropic behavior, physics-based mesoscale modeling of the anisotropy is also compared in detail.

关键词： Wrought Mg alloys Mechanical anisotropy Deformation mechanism Constitutive modeling

STCF conceptual design report (volume 1): Physics & detector

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Frontiers of physics 2024年第1期19卷 1-154页

作者： M.Achasov X.C.Ai L.P.An R.Aliberti Q.An X.Z.Bai Y.Bai O.Bakina A.Barnyakov v.Blinov v.Bobrovnikov D.Bodrov A.Bogomyagkov A.Bondar I.Boyko Z.H.Bu F.M.Cai H.Cai J.J.Cao Q.H.Cao X.Cao Z.Cao Q.Chang K.T.Chao D.Y.Chen H.Chen H.X.Chen J.F.Chen K.Chen L.L.Chen P.Chen S.L.Chen S.M.Chen S.Chen S.P.Chen W.Chen X.Chen X.F.Chen X.R.Chen Y.Chen Y.Q.Chen H.Y.Cheng J.Cheng S.Cheng T.G.Cheng J.P.Dai L.Y.Dai X.C.Dai D.Dedovich A.Denig I.Denisenko J.M.Dias D.Z.Ding L.Y.Dong W.H.Dong v.Druzhinin D.S.Du Y.J.Du Z.G.Du L.M.Duan D.epifanov Y.L.Fan S.S.Fang Z.J.Fang G.Fedotovich C.Q.Feng X.Feng Y.T.Feng J.L.Fu J.Gao Y.N.Gao P.S.Ge C.Q.Geng L.S.Geng A.Gilman L.Gong T.Gong B.Gou W.Gradl J.L.Gu A.Guevara L.C.Gui A.Q.Guo F.K.Guo J.C.Guo J.Guo Y.P.Guo Z.H.Guo A.Guskov K.L.Han L.Han M.Han X.Q.Hao J.B.He S.Q.He X.G.He Y.L.He Z.B.He Z.X.Heng B.L.Hou T.J.Hou Y.R.Hou C.Y.Hu H.M.Hu K.Hu R.J.Hu W.H.Hu X.H.Hu Y.C.Hu J.Hua G.S.Huang J.S.Huang M.Huang Q.Y.Huang W.Q.Huang X.T.Huang X.J.Huang Y.B.Huang Y.S.Huang N.Hüsken v.Ivanov Q.P.Ji J.J.Jia S.Jia Z.K.Jia H.B.Jiang J.Jiang S.Z.Jiang J.B.Jiao Z.Jiao H.J.Jing X.L.Kang X.S.Kang B.C.Ke M.Kenzie A.Khoukaz I.Koop e.Kravchenko A.Kuzmin Y.Lei e.Levichev C.H.Li C.Li D.Y.Li F.Li G.Li G.Li H.B.Li H.Li H.N.Li H.J.Li H.L.Li J.M.Li J.Li L.Li L.Li L.Y.Li N.Li P.R.Li R.H.Li S.Li T.Li W.J.Li X.Li X.H.Li X.Q.Li X.H.Li Y.Li Y.Y.Li Z.J.Li H.Liang J.H.Liang Y.T.Liang G.R.Liao L.Z.Liao Y.Liao C.X.Lin D.X.Lin X.S.Lin B.J.Liu C.W.Liu D.Liu F.Liu G.M.Liu H.B.Liu J.Liu J.J.Liu J.B.Liu K.Liu K.Y.Liu K.Liu L.Liu Q.Liu S.B.Liu T.Liu X.Liu Y.W.Liu Y.Liu Y.L.Liu Z.Q.Liu Z.Y.Liu Z.W.Liu I.Logashenko Y.Long C.G.Lu J.X.Lu N.Lu Q.F.Lü Y.Lu Y.Lu Z.Lu P.Lukin F.J.Luo T.Luo X.F.Luo Y.H.Luo H.J.Lyu X.R.Lyu J.P.Ma P.Ma Y.Ma Y.M.Ma F.Maas S.Malde D.Matvienko Z.X.Meng R.Mitchell A.Nefediev Y.Nefedov S.L.Olsen Q.Ouyang P.Pakhlov G.Pakhlova X.Pan Y.Pan e.Passemar Y.P.Pei H.P.Peng L.Peng X.Y.Peng X.J.Peng K.Peters S.Pivovarov e.Pyata B.B.Qi Y.Q.Qi W.B.Qian Y.Qian C.F.Qiao J.J.Qin J.J.Qin L.Q.Qin X.S.Qin T.L.Qiu J.Rademacker C.F.Redmer H.Y.Sang Anhui University Hefei 230039China Beihang University Beijing 100191China Budker Institute of Nuclear Physics Novosibirsk 630090Russia CAS Key laboratory of Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China Cavendish laboratory University of CambridgeJJ Thomson AveCambridge CB30HEUnited Kingdom Central China Normal University Wuhan 430079China Central South University Changsha 410083China China University of Geosciences Wuhan 430074China China University of Mining and Technology Xuzhou 221116China École Polytechnique Fédérale de Lausanne(ePFL) LausanneSwitzerland Fudan University Shanghai 200433China Goethe University Frankfurt D-60325 Frankfurt am MainGermany Guangxi Normal University Guilin 541004China Guangxi Uninversity Nanning 530004China Hangzhou Institute for Advanced Study UCASHangzhou 310024China Hebei Normal University Shijiazhuang 050024China Hebei University Baoding 071002China Hefei University of Technology Hefei 230601China Helmholtz Institute Mainz Staudinger Weg 18D-55099 MainzGermany Henan Normal University Xinxiang 453007China Henan University Kaifeng 475004China High energy Physics Center Chung-Ang UniversitySeoul 06974Korea Higher School of economy 11 Pokrovsky Bulvar Moscow 109028Russia Huangshan University Huangshan 245000China Hubei University of Automotive Technology Shiyan 442002China Hunan Normal University Changsha 410081China Hunan University of Science and Technology Xiangtan 411201China Hunan University Changsha 410082China Indiana University BloomingtonIndiana 47405USA Inner Mongolia University Hohhot 010021China Institute of Advanced Science Facilities Shenzhen 518107China Institute of High energy Physics Chinese Academy of SciencesBeijing 100049China Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000China Institute of Physics Academia SinicaTaipeiTaiwan 11529China Institute of Theoretical Physics Chinese Academy of SciencesBeijing 100190China Jilin University Changch

The superτ-charm facility(STCF)is an electron–positron collider proposed by the Chinese particle physics *** is designed to operate in a center-of-mass energy range from 2 to 7 Gev with a peak luminosity of 0.5×10^(35) cm^(–2)·s^(–1) or *** STCF will produce a data sample about a factor of 100 larger than that of the presentτ-charm factory—the BePCII,providing a unique platform for exploring the asymmetry of matter-antimatter(charge-parity violation),in-depth studies of the internal structure of hadrons and the nature of non-perturbative strong interactions,as well as searching for exotic hadrons and physics beyond the Standard *** STCF project in China is under development with an extensive R&D *** document presents the physics opportunities at the STCF,describes conceptual designs of the STCF detector system,and discusses future plans for detector R&D and physics case studies.

关键词： electron–positron collider tau-charm region high luminosity STCF detector conceptual design

High-throughput predictions of metal-organic framework electronic properties:theoretical challenges,graph neural networks,and data exploration

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npj Computational Materials 2022年第1期8卷 1053-1062页

作者： Andrew S.Rosen victor Fung Patrick Huck Cody T.O’Donnell Matthew K.Horton Donald G.Truhlar Kristin A.Persson Justin M.Notestein Randall Q.Snurr Department of Materials Science and engineering University of CaliforniaBerkeleyCA94720USA Miller Institute for basic research in Science University of CaliforniaBerkeleyBerkeleyCA94720USA Materials Science Division Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Department of Chemical and Biological engineering Northwestern UniversityEvanstonIL60208USA Center for Nanophase Materials Sciences Oak Ridge National LaboratoryOak RidgeTN37831USA energy Technologies Area Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Department of Chemistry Chemical Theory Centerand Minnesota Supercomputing InstituteUniversity of MinnesotaMinneapolisMN55455USA Molecular Foundry Lawrence Berkeley National LaboratoryBerkeleyCA94720USA

With the goal of accelerating the design and discovery of metal–organic frameworks(MOFs)for electronic,optoelectronic,and energy storage applications,we present a dataset of predicted electronic structure properties for thousands of MOFs carried out using multiple density functional *** to more accurate hybrid functionals,we find that the widely used PBe generalized gradient approximation(GGA)functional severely underpredicts MOF band gaps in a largely systematic manner for semi-conductors and insulators without magnetic ***,an even larger and less predictable disparity in the band gap prediction is present for MOFs with open-shell 3d transition metal *** regards to partial atomic charges,we find that different density functional approximations predict similar charges overall,although hybrid functionals tend to shift electron density away from the metal centers and onto the ligand environments compared to the GGA point of *** more significant differences in partial atomic charges are observed when comparing different charge partitioning *** conclude by using the dataset of computed MOF properties to train machine-learning models that can rapidly predict MOF band gaps for all four density functional approximations considered in this work,paving the way for future high-throughput screening *** encourage exploration and reuse of the theoretical calculations presented in this work,the curated data is made publicly available via an interactive and user-friendly web application on the Materials Project.

关键词： charges electronic centers

Artificial intelligence-driven radiomics study in cancer:the role of feature engineering and modeling

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Military Medical research 2024年第1期11卷 115-147页

作者： Yuan-Peng Zhang Xin-Yun Zhang Yu-Ting Cheng Bing Li Xin-Zhi Teng Jiang Zhang Saikit Lam Ta Zhou Zong-Rui Ma Jia-Bao Sheng victor CWTam Shara WYLee Hong Ge Jing Cai Department of Medical Informatics Nantong UniversityNantong 226001JiangsuChina Department of Health Technology and Informatics the Hong Kong Polytechnic UniversityHong Kong 999077China The Hong Kong Polytechnic University Shenzhen research Institute Shenzhen 518000GuangdongChina Department of Radiation Oncology the Affiliated Cancer Hospital of Zhengzhou University and Henan Cancer HospitalZhengzhou 450008China

Modern medicine is reliant on various medical imaging technologies for non-invasively observing patients’***,the interpretation of medical images can be highly subjective and dependent on the expertise of ***,some potentially useful quantitative information in medical images,especially that which is not visible to the naked eye,is often ignored during clinical *** contrast,radiomics performs high-throughput feature extraction from medical images,which enables quantitative analysis of medical images and prediction of various clinical *** have reported that radiomics exhibits promising performance in diagnosis and predicting treatment responses and prognosis,demonstrating its potential to be a non-invasive auxiliary tool for personalized ***,radiomics remains in a developmental phase as numerous technical challenges have yet to be solved,especially in feature engineering and statistical *** this review,we introduce the current utility of radiomics by summarizing research on its application in the diagnosis,prognosis,and prediction of treatment responses in patients with *** focus on machine learning approaches,for feature extraction and selection during feature engineering and for imbalanced datasets and multi-modality fusion during statistical ***,we introduce the stability,reproducibility,and interpretability of features,and the generalizability and interpretability of ***,we offer possible solutions to current challenges in radiomics research.

关键词： Artificial intelligence Radiomics Feature extraction Feature selection Modeling Interpretability Multimodalities Head and neck cancer

Investigation on the genetic-inconsistent paternity cases using the MiSeq FGx system

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Forensic Sciences research 2022年第4期7卷 702-707页

作者： Anqi Chen Ruiyang Tao Chengtao Li Suhua Zhang Shanghai Key laboratory of Forensic Medicine Shanghai Forensic Service PlatformAcademy of Forensic ScienceMinistry of JusticeShanghaiChina Department of Forensic Medicine School of Basic Medical SciencesShanghai Medical CollegeFudan UniversityShanghaiChina

Mutations might challenge the paternity index calculation in forensic *** many studies have focussed on the autosomal short tandem repeats(A-str),the mutation status of sex chromosomes and single nucleotide polymorphism(SNP)remain *** generation sequencing(NGS),known as high throughput and large sequence polymorphism,is a promising tool for forensic *** describe the mutation landscapes in the paternity cases with genetic inconsistencies,a total of 63 parentage confirmed paternity cases contained at least one mismatched locus have been *** mutations were subsequently evaluated using verogen’s MPSForenSeqTM DNASignature Kit and a microsatellite instability(MSI)detection *** result showed 98.41%(62/63)of the cases had no additional autosomal mutations even when the number of A-strs increased to *** for the sex chromosomes,about 11.11%(7/63)of the cases exhibited either X-str or Y-str mutations.D2S1338,FGAand Penta ewere the most frequent altered strs,which suggested they might be the mutation *** addition,a male with sex chromosome abnormality was observed accidently,whose genotype might be 47,XXY,rather than *** 56.90%of the str loci possessed isoalleles,which might result in higher str *** Mendelian incompatibility was detected among the SNP markers,which indicated that SNP was a more reliable genetic marker in the genetic-inconsistent paternity cases.

关键词： Forensic sciences forensic genetics paternity testing next generation sequencing(NGS) ForenSeqTM DNASignature Prep Kit

Genetic Polymorphism and Relationship Analyses of Standard Poodle and Bichon Frise Groups Based on 19 Short Tandem Repeat Loci

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Journal of Forensic Science and Medicine 2023年第4期9卷 331-339,I0013-I0015页

作者： Shuyan Mei Jinlong Yang Jianping Li Xin Xiong Menglei Wang Zhichao Zhao Yuxin Guo Yajun Deng College of basic Medicine and Forensic Medicine Henan University of Science and TechnologyHenanChina Guangzhou Key laboratory of Forensic Multi‑Omics for Precision Identification School of Forensic MedicineSouthern Medical UniversityGuangzhouChina Beijing Zhongzheng DNA evidence Institute BeijingChina Key laboratory of Shaanxi Province for Craniofacial Precision Medicine research College of StomatologyXi’an Jiaotong UniversityXi’AnChina Clinical research Center of Shaanxi Province for Dental and Maxillofacial Diseases College of StomatologyXi’an Jiaotong UniversityXi’AnChina

Context:As the increasing number of pet canines,the identification of canine has attracted much attentions in the forensic field,however,the genetic diversities of pet canines still remained ***:To explore genetic polymorphisms of 19 short tandem repeat(str)loci and genetic relationships between the two studied canine groups and reference *** and Methods:In the present study,genetic polymorphisms of 19 str loci and a sex-linked zinc finger locus were analyzed in a total of 594 canines in Standard Poodle and Bichon Frise groups from ***:A total of 166,159 alleles were observed in the Standard Poodle,Bichon Frise groups with the corresponding allelic frequencies ranging from 0.0030-0.6108 to 0.0012-0.6148,*** combined discrimination power and probability of exclusion of 19 str loci in Standard Poodle and Bichon Frise groups were 0.9999999999999497,0.999962884;and 0.99999999999999995,0.999965955,***,the genetic distances between the two canine groups and Labrador retriever group were calculated,and the results indicated that Standard Poodle and Bichon Frise groups showed a closer genetic relationship,while the two canine groups had distant genetic relationships with Labrador retriever *** result of population genetic structure revealed that genetic component distributions in the three canine groups were *** predicted accuracies of the constructed random forest prediction model for three validation sets(25%individuals randomly selected from three populations with 808 individuals)were higher than 0.9,especially for the individuals in validation set from the Bichon Frise group is ***:The 19 str loci could be used for individual identification,canine breed identification and paternity testing in the two canine groups.

关键词： Short tandem repeat Standard Poodle Bichon Frise forensic parameter canine genetic polymorphism

structure and luminescence properties of color-tunable phosphor Sr_(2)La_(3)(SiO_(4))_(3)F:Tb^(3+),Sm^(3+)

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稀土学报:英文版 2023年第9期41卷 1288-1294,I0001页

作者： Haikun Liu Kun Nie Yuanyuan Zhang Lefu Mei Dina v.Deyneko Xiaoxue Ma Department of energy and Chemical engineering Dongguan University of TechnologyDongguan 523808China State Key laboratory of New Textile Materials&Advanced Processing Technology and Hubei Key laboratory for New Textile Materials and Applications School of Materials Science and EngineeringKey Laboratory of Polyphenylene Sulfide Fiber and Application in Textile IndustryWuhan Textile UniversityWuhan430200China Beijing Key laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Sciences and TechnologyChina University of GeosciencesBeijing 100083China School of Materials Sciences and Technology Dongguan University of TechnologyDongguan 523808China School of Materials Science and engineering Xi'an Jiaotong UniversityXi'an 710049China Department of Chemistry Lomonosov Moscow State UniversityMoscow 119991Russia laboratory of Arctic Mineralogy and Material Sciences Kola Science CentreRussian Academy of Sciences14 Fersman Str.184209ApatityRussia

A series of single-phase and color-tunable phosphors Sr_(2)La_(3)(SiO_(4))_(3)F:0.15Tb^(3+),xSm^(3+)(SLSOF:0.15Tb^(3+),xSm^(3+)) was prepared using solid-state *** X-ray diffraction(XRD) was used to characterize the phase of the as-prepared *** synthesized phosphors have apatite-type structure without other ***^(3+) and Tb^(3+) ions substitute La^(3+) into the lattice and form a single-phase solid *** elements are evenly distributed in the sample according to the scanning electron microscopy(SeM) *** crystal structure of the host phosphor was refined by the Rietveld *** optical properties were studied in detail by investigation of the luminescence and diffuse spectra,fluorescence decay curves and energy transfer *** phosphor color can be changed from green(0.29,0.48) to yellow/orange and red(0.57,0.42) via adjusting the doping ratio of Sm^(3+).The SLSOF:0.15Tb^(3+),xSm^(3+)phosphors can emit typical multicolor light such as green,yellow,orange and red with gradually increasing Sm^(3+)doping *** results indicate the occurrence of the energy transfer which results in the color-tunable properties of the phosphors.

关键词： Apatite Calcination Phosphor Optical property Luminescence Rare earths