Rigaku Corporation

Hideo Toraya

Shigeru Munekawa

Norihiro Muroyama

Kazuhiko Omote

Akihiro Himeda

Hisashi Konaka

Provided is a degree-of-crystallinity measurement apparatus including: an X-ray scattering pattern acquisition module which acquires an X-ray scattering pattern of a sample including a crystalline portion and an amorphous portion of a target substance; a pattern decomposition module which acquires a diffraction pattern of the crystalline portion and a continuous pattern from the X-ray scattering pattern; a target substance intensity calculation module which calculates an integrated intensity of the target substance based on the X-ray scattering pattern and chemical formula information of the target substance; a target substance pattern calculation module which calculates, from the continuous pattern, a scattering pattern of the target substance including the crystalline portion and the amorphous portion; a structural disorder parameter determination module which determines a structural disorder parameter of the crystalline portion based on the diffraction pattern of the crystalline portion and the scattering pattern of the target substance; and a degree-of-crystallinity output module.

Degree-of-crystallinity measurement apparatus, degree-of-crystallinity measurement method, and information storage medium

A device for analyzing a diffraction pattern of a mixture uses a fitting pattern including a term related to a known target pattern, which indicates a target component and which is changeable in shape with use of a shape parameter, and a term related to an unknown pattern, which indicates a residual group. The fitting pattern is fitted to an observed pattern with a given value assigned to the shape parameter and with the unknown pattern set to an initial pattern. The unknown pattern is then changed, to thereby fit the fitting pattern to the observed pattern. The fitting described above is executed with use of a plurality of shape parameters each of which is the shape parameter, and a calculation result related to one of the plurality of shape parameters is selected.

Device and method for analyzing diffraction pattern of mixture, and information storage medium

Provided is a method of analyzing a diffraction pattern of a mixture, the method including: a first step of fitting, through use of a fitting pattern including a term obtained by multiplying a known target pattern indicating a target component by a first intensity ratio, and a term obtained by multiplying an unknown pattern indicating a residual group consisting of one or more residual components by a second intensity ratio, and having the first intensity ratio, the second intensity ratio, and the unknown pattern as fitting parameters, the fitting pattern to the observed pattern by changing the first and the second intensity ratio in a state where the unknown pattern is set to an initial pattern; and a second step of fitting the fitting pattern to the observed pattern by changing the unknown pattern while restricting the changes of the first and the second intensity ratio.

Method and device for analyzing diffraction pattern of mixture, and information storage medium

A measured pattern acquisition unit acquires a measured X-ray scattering pattern of a sample containing a target substance and another known mixed substance. A known pattern acquisition unit acquires a known X-ray scattering pattern of the other known mixed substance. A crystalline pattern acquisition unit at least partially acquires an X-ray diffraction pattern of a crystalline portion included in the target substance. A crystalline integrated intensity calculation unit calculates an integrated intensity for the acquired X-ray diffraction pattern of the crystalline portion. A target substance integrated intensity calculation unit calculates an integrated intensity for an X-ray scattering pattern of the target substance. A degree-of-crystallinity calculation unit calculates a degree of crystallinity of the target substance based on the integrated intensity for the X-ray diffraction pattern of the crystalline portion and the integrated intensity for the X-ray scattering pattern of the target substance.

A quantitative phase analysis device includes: a unit for acquiring a powder diffraction pattern of the sample; a unit for acquiring information on a plurality of crystalline phases; a unit for acquiring a fitting function for each of the plurality of crystalline phases; a unit for executing whole-powder pattern fitting for the powder diffraction pattern by using the acquired fitting functions, to thereby acquire a fitting result; and a unit for calculating a weight ratio of the plurality of crystalline phases based on the fitting result. Each fitting function is selected from the group consisting of a first fitting function using an integrated intensity obtained by whole-powder pattern decomposition, a second fitting function using an integrated intensity obtained by observation or calculation, and a third fitting function using a profile intensity obtained by observation or calculation.

Quantitative phase analysis device, quantitative phase analysis method, and non-transitory computer-readable storage medium storing quantitative phase analysis program

A quantitative phase analysis device for analyzing non-crystalline phases comprising at least one microprocessor configured to: acquire the powder diffraction pattern of the sample; acquire information on one non-crystalline phase and one or more crystalline phases contained in the sample; acquire a fitting function; execute whole-powder pattern fitting, acquire a fitting result; and calculate a weight ratio of the one non-crystalline phase and the one or more crystalline phases. The fitting function for each of the one or more crystalline phases is one fitting function selected from the group consisting of a first fitting function that uses an integrated intensity obtained by whole-powder pattern decomposition, a second fitting function that uses an integrated intensity obtained by observation or calculation, and a third fitting function that uses a profile intensity obtained by observation or calculation. The fitting function for the one non-crystalline phase is the third fitting function.

Quantitative phase analysis device for analyzing non-crystalline phases, quantitative phase analysis method for analyzing Non-Crystalline phases, and non-transitory computer-readable storage medium storing quantitative phase analysis program for analyzing Non-Crystalline Phases

Provided are an operation guide system, an operation guide method, and an operation guide program, which are capable of allowing a user to easily understand measurement of an X-ray optical system to be selected. A quantitative phase analysis device includes qualitative phase analysis result acquisition means for acquiring information on a plurality of crystalline phases contained in a sample, and weight ratio calculation means for calculating a weight ratio of the plurality of crystalline phases based on a sum of diffracted intensities corrected with respect to a Lorentz-polarization factor, a chemical formula weight, and a sum of squares of numbers of electrons belonging to each of atoms contained in a chemical formula unit, in the plurality of crystalline phases.

Quantitative phase analysis device, quantitative phase analysis method, and quantitative phase analysis program

In order to realize a compact and lightweight X-ray diffraction apparatus not requiring a goniometer, an apparatus for X-ray diffraction includes a first X-ray irradiating unit and a second X-ray irradiating unit that irradiate shaped X-rays on a same region of the surface of the sample from respective directions; an X-ray detecting unit that detects a first diffracted X-ray emanated from the region of the sample where the X-ray is irradiated by the first X-ray irradiating unit and a second diffracted X-ray emanated from the region of the sample where the X-ray is irradiated from the second X-ray irradiating unit; and an X-ray diffraction signal processing unit that processes a signal acquired by detecting the first diffracted X-ray and the second diffracted X-ray emanated from the same region of the sample with the X-ray detecting unit.

Method and its apparatus for x-ray diffraction

An X-ray stress measuring apparatus, for measuring stress on a sample, comprises: a pair of X-ray generating means (') for irradiating X-ray beams, determining an angle defined between the X-ray beams, mutually, at an arbitrary fixed angle, on a plane inclining by an angle desired with respect to a surface of the sample to be measured stress thereon; an X-ray sensor portion () for detecting plural numbers of Debye rings (C, C&#x2032;), which are generated by incident X-ray beams from said pair of X-ray generating means; and a battery () for supplying necessary electricity to each of parts of the apparatus, wherein said X-ray sensor portion is made up with only one (1) piece of a 2-dimensional X-ray detector () or a 1-dimensional X-ray detector (&#x2032;), and is disposed in a position where the plural numbers of Debye rings generated by the incident X-ray beams from the at least one pair of X-ray generating means are adjacent to each other, or intersect with each other, thereby detecting the plural numbers of the Debye rings caused due to the X-ray and the X&#x2032;-ray in common with.

X-ray stress measuring apparatus

In an X-ray diffraction method, an X-ray parallel beam is incident on a sample, and diffracted X-rays from the sample are reflected at a mirror and thereafter detected by an X-ray detector. The reflective surface of the mirror is a combination of plural flat reflective surfaces, the respective centers of which are located on an equiangular spiral having a center that is located on a surface of the sample. The X-ray detector is one-dimensional position-sensitive in a plane parallel to the diffraction plane. X-rays that have been reflected at different flat reflective surfaces reach different points on the X-ray detector respectively. A correction is performed for separately recognizing different reflected X-rays that may have been reflected at the different flat reflective surfaces, and might be mixed with each other on the same detecting region of the X-ray detector.

X-ray diffraction method and X-ray diffraction apparatus

In an X-ray diffraction method using the parallel beam method, an X-ray parallel beam is incident on a sample, and diffracted X-rays from the sample are reflected at a mirror and thereafter detected by an X-ray detector. The reflective surface of the mirror has a shape of an equiangular spiral that has a center located on the surface of the sample. A crystal lattice plane that causes reflection is parallel to the reflective surface at any point on the reflective surface. The X-ray detector is one-dimensional position sensitive in a plane parallel to the diffraction plane. A relative positional relationship between the mirror and the X-ray detector is determined so that reflected X-rays from different points on the reflective surface of the mirror reach different points on the X-ray detector respectively. This X-ray diffraction method is superior in angular resolution, and is small in X-ray intensity reduction, and is simple in structure.

X-ray diffraction apparatus and X-ray diffraction method

The preferred orientation of a polycrystalline material is estimated using one diffraction peak. An orientation density distribution function &#x3c1; is assumed to be axisymmetric around a normal direction of the surface of a sample made of a polycrystalline material. The function &#x3c1; may be a Gaussian function or a March-Dollase function. An X-ray is incident upon the surface of the sample at an incident angle &#x3b1; and the intensity of a diffraction X-ray is measured. The change of intensity of the diffraction X-ray is measured with the incident angle &#x3b1; being changed to attain a measurement rocking curve. A theoretical diffraction X-ray intensity is calculated based on the orientation density distribution function &#x3c1;. The characteristic parameter of the function &#x3c1; is determined so that the theoretical rocking curve approaches the measurement rocking curve as closely as possible, whereby the orientation density distribution function &#x3c1; can be determined.

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Tachikawa, Japan

Hideo Toraya