Specification- Bruker D2 Phaser XRD 052120.docx

Specification of Bruker X-ray Powder Diffraction System (XRD)

1. Description of Services: The US Consumer Product Safety Commission (CPSC) Laboratory Science Division-Chemistry (LSC) intends to purchase of a new Bruker D2 Phaser Diffractometer System (XRD). This new system will be purposed for the detection and quantification of hazardous chemicals in consumer fireworks devices as pertains to 16 CFR Part 1507.2 - Prohibited Chemicals. The project will include delivery, unpacking, setup, and training of staff.

2. Contract Type: This is a firm-fixed-price (FFP) acquisition.

3. Background: CPSC laboratory (LSC) conducts routine testing of consumer fireworks products to determine hazardous chemical content. The primary use of the new XRD instrument will include, but is not limited to, the identification and quantification of metallic fuels (aluminum (Al), titanium (Ti), and magnesium (Mg)) and oxidizers (chlorate, perchlorate, and nitrate) found in consumer fireworks.

4. Description of Work: The XRD analyzer system shall contain the following:

a) One (1) Portable desktop diffraction instrument with integrated water cooling system for x-ray tube

b) Power system 90-250 Volts (V), 50-60 Hertz (Hz)

c) Theta/theta geometry in which the sample is always horizontal

d) Maximum scanning range -3 to 160 °2θ

e) Minimum step size 0.005 °2θ

f) Accuracy equal or better than +/- 0.02 °2θ over the full angular range

g) Minimum peak width (FWHM) better than 0.05 °2θ.

h) Copper k alpha (Cu kα) radiation from a standard ceramic sealed tube

i. Copper (Cu) anode, long fine focus, short neck, 2.2 Kilowatt (kW), one exit window for spot and one for line focus, focus size: 0.04 x 12 millimeter (mm) and 0.4 x 1.2 mm, ceramic insulation body.

i) X-ray generation 30 kilovolts/10 milliamps

j) Maximum radiation level < 1 microsievert per hour

k) Includes the following accessories:

i. 2.3° Soller slit

ii. Divergence slits (0.1 mm, 0.2 mm, 0.6 mm, 1 mm)

iii. Anti-scatter slit (3 mm)

iv. Computer control system which is embedded into the instrument

v. Keyboard and mouse

vi. Alignment standard specimen

vii. Alignment slits

viii. Ni k-β filters (0.01 mm and 0.02 mm thickness)

ix. Cu absorber plates

l) Measurement software to control the instrument:

i. Shall be able to define measurement parameters and conduct calibration analyses. Shall also be able to control movement of goniometer, sample stage and sample rotation rates.

m) Analysis software for general data evaluation:

i. Peak search and creation of peak data for phase identification

ii. Manual and fully automatic background subtraction

iii. Data smoothing (Savitzky-Golay method or Fourier filtering)

iv. Kα2-stripping (Rachinger method)

v. 2θ-offset and sample displacement corrections

vi. Calculation of mass absorption coefficients and corresponding X-ray penetration depth into the specimen

vii. Calculation of profile parameters such as line position, center of gravity, integrated area, half width and more

viii. Crystallite size determination (Scherrer method)

ix. Addition, subtraction, scaling, normalization and merging of scans

x. Simultaneous evaluation of multiple scans

xi. Undo / redo operations

xii. Support of variable counting time data

xiii. Quantitative analysis based on reference intensity ratio (RIR) and spiking methods

xiv. "Combined XRD-XRF analysis": Validation and improvement of search as well as quantitative phase analyses results using elemental analysis results; direct access to SPECTRAplus XRF databases, formatted ASCII-files, and more.

n) Database support from the International Center for Diffraction Data (ICDD) (ICDD-PDF4+ with license for five (5) years or more).

o) Six (6) position sample changer with sample rotation for specimen holders with a controllable rotation speed of 1 – 80 rotations per minute.

p) Twelve (12) sample holders for thick powder compaction

q) Six (6) zero background sample holders for small quantities of sample powder with no interference from the sample holder.

r) Single sample stage accessory

s) Advanced detector system (energy dispersive compound silicon strip detector with a superior energy resolution of <380 eV, operating at room temperature with all strips guaranteed to work at delivery time) for fast x-ray diffraction measurements and a method to minimize sample fluorescence.

t) System delivery, installation, initial setup, confirmation of performance by a company field service engineer.

u) The contractor must provide all associated user manuals, pre-installation guides, and supplementary information.

v) The contractor must provide all radiation safety information along with any required licenses.

w) The contractor must provide at least one (1) four (4) hour training course and one (1) on-site familiarization of instrument and software.

x) The four (4) hour training course must provide information on detailed analysis methods which highlight the capabilities of the instrument; such as Rietvel Refinement, quantitative analysis, crystallite size and lattice parameter calculations.

y) On-site familiarization must provide information on how to complete simple phase identification including sample preparation methods and software analysis.

z) The contractor must provide on-site warranty service covering all parts, labor, and travel for a minimum of one (1) year.