. OrientationTypeName andor OrientationTypeID specifics the way orientation is described. The ReferenceFrame
. OrientationTypeName andor OrientationTypeID specifics the way orientation is described. The ReferenceFrame for the RVE by default is the ComponentFrame (Table 2).Table two. orientationTypename and orientationTypeid.OrientationTypeName angle2d eulerangles Millerindices Quaternions angleaxis OrientationTypeID two three 4Figure 5. illustration from the fundamental descriptors for the geometry of an rve.2…. ReferenceFrameID. Describing the position in the RVE in space calls for the specification of a reference frame. For the RVE this normally will be the ComponentFrame, i.e. the structural axis program of your element. For all attributes within the RVE, the frame of reference will likely be the RVE frame itself (Table ).2…7. Volume. Specifies the total volume with the RVE. The volume may perhaps outcome from an analytical expression like a3 to get a cube with size a or 43 r3 for a sphere with radius r or from summationintegration from the volumes of all NumericalElements or NumericalCells into which the RVE is discretized.Sci. Technol. Adv. Mater. 7 (206)G. J. SCHMITz et al.two…8. Surface. Specifies the total surface from the RVE. two..2. RVE composition As any material is `a number of atoms arranged inside a volume’, exactly where the atoms may perhaps be atoms of distinct chemical components, a initially set of descriptors is needed to describe the composition with the material arises naturally (Figure 6).with handful of atoms only. For large systems it truly is given in moles. The distinction in between mere integers for numbers and real values for moles will proceed through descriptor attributes (see section 5.three). For instance, NumberAtoms (typeinteger, units) for modest numbers of atoms versus NumberAtoms(typereal, unitsmoles) for substantial numbers of atoms. It will likely be identical to 0 for MS049 supplier Unspecified chemical components if no unspecified chemical elements are present. 2..two.five. NumberAtoms(CEID). Specifies the total quantity of atoms from the element with CEID in the RVE. Applied for smaller systems with couple of atoms only. For massive systems (moles) see attributes for units as specified above for NumberAtoms. It will likely be 0 for unspecified chemical elements if no unspecified 
chemical components are present. 2..2. 6. NumberMoles_Fraction(CEID). The Number Moles(CEID)_Fraction is actually a descriptor relation (see section 5) and inserted here to account for common applications in engineering. The NumberMoles(CEID)_ Fraction of an element with CEID is defined as:Figure six. The significant descriptors for the composition of an rve.NumberMoles(CEID)_Fraction NumberAtoms(CEID)NumberAtomsPlease note that the `units’ and `type’ attributes of NumberAtoms(CEID) and NumberAtoms have to match within this case. 2..2. 7. AtomPercent(CEID) PubMed ID:https://www.ncbi.nlm.nih.gov/pubmed/26080824 and MassPercent(CEID). The AtomPercent of a chemical element with CEID is defined as: AtomPercent(CEID)2..two.. NumberChemicalElements. Corresponds to the quantity of chemical components specified within the RVE. Examples for chemical elements will be Al and Cu inside a binary alloy. The NumberChemicalElements would intuitively be 2 for this instance. On the other hand, unspecified elements further increase the NumberChemicalElements by and the ChemicalElementName `Ue’ (Unspecified element) must be assigned to them to conform for the standard two letter nomenclature for chemical components. In case no unspecified elements are present within the system, their NumberAtoms respectively NumberMoles for `Ue’ has to be set to 0. two..2.2. ChemicalElementID. Corresponds to a nearby ID for the chemical element. Runs from 0 to NumberChemicalElements. The ChemicalElementID (CEID) c.
