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After geometry structure relaxation, the energetics, elastic constants and electronic structures of NiTi matrix phase were calculated as following process: ultrasoft pseudopotentials represented by a Generalized Gradient Approximate (GGA) [4] and improved by Cepeley–Alder [5] were adopted for all elements in our models.
The calculation of total energy and electronic structure was followed by cell optimization with SCF tolerance of 1.0×10−6 eV under GGA Cepeley–Alder potential.
So the B2-NiTi phase could be easily transformed to B19′ structure.
As well known, the less DOS at Fermi level meaning less transmitting probability of valence electrons so the more stable of alloy structure.
[7]T.H.Fischer, J.Almlöf, General Methods for Geometry and Wavefunction Optimization, Journal of Physical Chemistry. 96(1992)9768-9774

Consequently, lightweight parts are being developed by employing light materials and also by implementing porous structures.
This is also the case with the here-studied WE43 alloy, in which RE elements form secondary phases that contribute to the refinement of the structure, thereby improving overall properties [4, 5].
Higher strength is influenced by a very fine structure compared to the cast state and possibly by great internal stresses caused by rapid cooling.
The three-point flexural tests (Fig. 6) showed higher modulus of elasticity and higher flexural yield strength of the 3D-printed samples, which agrees well with their fine structure.
Consequently, a significant amount of oxides is present in the structure.

Besides, most PIs are insoluble and infusible in their fully imidized form because of their rigid chain structure.
The structures of fluorinated PI were characterized by FTIR spectra (Fig. 1).
The alicyclic structure was attributed to the reduction of the intermolecular CTC and conjugated aromatic structures.The light colors of the PIs with the CF3 groups in their diamine moieties could be explained from the decreased intermolecular interactions.
This might be due to the presence of the flexible linkage structure and the bulky CF3 substitutes in the diamine, as well as the alicyclic structure of dianhydrides, which further hindered dense chain packing and reduced chain-chain interactions.
McGrath: Polyimides: materials, chemistry and characterization.

And the diversity of the monomers and the weight fractions of constituents enables the designable tuning of these structures [4].
To gain further insights into the micelle structure, selective staining of PS section was performed using RuO4.
The micelles are partially stained, which clearly indicates a pacthy structure for the corona arising from phase segregation.
Variation of the monomers and the weight fractions of the constituents should enable the tuning of the aggregate structures.
Micellar structures of linear triblock terpolymers: Three blocks but many possibilities [J].

Structural properties and defect structure of kesterite CZTS compounds (Cu2ZnSnSe4, Cu2ZnSn(SSe)4) were studied.
All the results obtained have been used to optimize the technology of producing solar cell structures in different designs.
At the same time device properties are critically influenced by deviations from stoichiometric composition and defect chemistry [13].
In addition to the mono-crystalline and the thin film approach - a third alternative to prepare solar cell structures is to use of powder materials [14].
Bulk structure and phase compositions were additionally studied using X-ray diffraction (XRD) and Raman spectroscopy.

It is related to dye molecular structure and particle size of the radius.
The reason that the dye molecular structure and particle size of the radius is difference.
It is related to dye molecular structure and particle size of the radius.
Environmental Chemistry, in Chinese, Vol.25 No.2,(2006), p.171-175 [7] Yongbao Chu, Baoyu Gao and Qinyan Yue.

A Simple Route to Synthesize Ferromagnetic Binary Calcium Iron Pyrophosphate CaFeP2O7 Using Aqueous-Acetone Media Pachernchaipat Chaiyasith1,3,d, Chesta Ruttanapun2,3,b, Montree Thongkam1,3,c, Samart Kongteweelert1, 3, a, Somsak Woramongkonchai1,3,e and Banjong Boonchom1,3,f,* 1Department of Chemistry, Faculty of Science, King Mongkut's Institute of Technology Ladkrabang, Ladkrabang, Bangkok, 10520, Thailand 2Department of Physcis, Faculty of Science, King Mongkut's Institute of Technology Ladkrabang, Ladkrabang, Bangkok, 10520, Thailand 3Functional Phosphate Materials and Alternative Fuel Energies Research Unit (FPM-AFE), King Mongkut's Institute of Technology Ladkrabang, Ladkrabang, Bangkok, 10520, Thailand apachemchaiput@gmail.com, bchesta.ruttanapun@gmail.com, cmjacky27@hotmail.com, dsamart75@hotmail.com, ekwsomsa@kmitl.ac.th, f, *kbbanjon@gmail.com Keywords: CaFeP2O7; Binary pyrophosphate; Synthesis
FTIR result indicates the presence of the P2O74- anion in the structure.
The thesis shows clearly that the crystal structure of CaFeP2O7 is significantly different from those of Fe2P2O7 and Ca2P2O7.
There is strong agglomeration phenomenon among the particles of CaFeP2O7, which is attributed that the each other absorption exists among particles with the layered structure compound.

CuInSe2 thin films are found to have higher optical band gap compared to reported 1.01eV due to the amorphous structure of the film and relatively higher surface roughness.
CuInSe2 thin films are found to have higher optical band gap compared to reported 1.01eV due to the amorphous structure of the film and relatively higher surface roughness.
Materials Chemistry and Physics, 34 (1993) 1-13 [2] I.
Structure of metals, Crystallographic methods, principles and Data.

The effects of heat treatment temperature and hot-pressing in the structure and densification of the deposited composite cathode were investigated.
Characterization Powder X-ray diffraction analysis (Rigaku SmartLab X-ray Diffractometer) was used to obtain the structure of the samples.
For the sintered LLTO, the peaks can be attributed to an orthorhombic structure, JCPDS 04-017-8119, with calculated lattice parameters of a= 7.745 Å, b=7.741 Å and c=7.746 Å.
Chemistry of Materials, 15(21) (2003) 3974–3990

.%) alloys Zhe Leng1,a, Jinghuai Zhang1,b*, Milin Zhang1,c, Jian Meng2,d, Ruizhi Wu 1,e 1Key Laboratory of Superlight Materials & Surface Technology, Ministry of Education, Harbin Engineering University, Harbin 150001, China 2State Key Laboratory of Rare Earth Resources Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China alengzhe12345a@hotmail.com, bzhangjinghuai@hrbeu.edu.cn, czhangmilin@hrbeu.edu.cn d jmeng@ciac.jl.cn,erzwu@hrbeu.edu.cn Keywords: Microstructures, mechanical properties, heat-resistant, Mg-alloy.
The cross-section of test bar could be divided into the fine skin region and the relatively coarse interior region by a narrow band with fine structure.
(a) Casting form a four-cavity test bar die and (b) typical cross-section structure of the tensile test bar.
Fig. 1(b) shows the typical cross-section structure of the tensile test bar obtained from the HPDC AlLa46 alloy.