Specifications Final 8-13-24.pdf

Specifications for six-circle diffractometer for the Beamline for Materials Measurements at NSLS-II Introduction and background This document defines the technical specifications for a psi (6+2 circle) x-ray diffractometer for the NIST Beamline for Materials Measurement (BMM) at Brookhaven National Laboratory’s National Synchrotron Light Source-II (NSLS-II).

The BMM 6+2-circle x-ray diffractometer shall be a general-purpose, configurable instrument for measurements of single- or poly-crystalline solids, primarily thin films on single-crystal semiconductor wafer substrates in a reflection-geometry, using a variety of sample-supports and detector configurations.

The details of these requirements and specifications follow.

Definitions

Coordinate systems:

A global Cartesian coordinate system is used at the NSLS-II to specify orientations and directions. The z-axis is in the direction of the x-ray beam and positive in the direction of beam propagation. The x-axis is horizontal and positive in the outboard direction. The y-axis is vertical and positive upwards. For the purposes of diffractometer specifications, the origin (0 0 0) is at the center of rotation of the diffractometer. The three rotation axes are rotations about the x, y, and z axes. Distances are in mm and angles are in degrees. A diagram showing the psi geometry is shown below. Note, the vertical 2-theta (del) and vertical theta (eta) circles will be on the outboard side rather than the inboard side because of space constraints, but the direction of rotation will be unchanged.

The x-ray beam originates at the center of the BMM 3-pole wiggler source, at a height above the floor of 1400 mm. After passing through the collimating mirror, the beam has an upward angle of 3.5 mrad. It then passes through a double-crystal-monochromator with a 30 mm offset and is focused by a bent cylinder mirror at -2.58 mrad. The beam height varies from 1426 to 1568 mm at the position of the diffractometer, depending upon the detailed optical configuration. The diffractometer center is 44509 mm from the source.

Motion control terms:

Range: maximum range of positions available to a motion which is defined at both ends by adjustable hard limits or non-binding end stops.

Resolution: minimal incremental step size that can be resolved by the encoder or achieved by the mechanical and motion control system.

Repeatability: maximum difference between outputs for identical commanded positions regardless of history.

Stability: maximum deviation in absolute position with no change in input position over a specified time period.

Accuracy: maximum difference between the absolute position traveled to and the commanded position.

Motor, encoder, limits, and control-interfacing requirements:

Diffractometer motors shall be 2-phase stepper motors with 6 or 8 leads, similar to Vexta PK296-E4.5B or Vexta PK266-02B, wired in a bipolar parallel configuration. The handedness of each motor shall be determined by the configuration of the circles, such that the diffractometer follows the requirements for psi geometry (see “coordinate systems” section above).

The limit switches shall be wired such that the common has +24V and returns through the Clockwise (cw) or Counter Clockwise (ccw) leads.

Encoders shall be incremental, digital A quad B, powered by 5V. Connectors shall mate with D-sub 15 female by the following pinout:

Motors, limit switches, and encoders shall be driven by Delta Tau GeoBrick LV NSLS-II PMAC or PowerBrick LV NSLS-II PMAC controllers in micro-stepping mode, which have a maximum current output of 5 A per axis. The motor/limit connectors shall be either male Souriau UT001412SH (if at a panel, or equivalent cable connector) or female D-sub 15. The encoder connectors shall be male D-sub 15. There are cables in the hutch that will mate with these. All cables and connectors shall be shielded and use a motor ground lead at the controller end of the connector and shall not be grounded at the diffractometer.

Space and weight constraints:

The new diffractometer shall be installed on an existing table in an existing steel-walled hutch.

This will constrain its weight and volume. The existing table is an optical benchtop on a 6-motor-driven steel frame that can move in height, pitch in the beam direction (z), and yaw. It can support a diffractometer weight of up to ~2500 lbs. The inboard-to-outboard width of the hutch (inside dimension) at the diffractometer position is 2980 mm and the beam center there is 1170 mm from the inboard wall. A clearance of at least 420 mm between the diffractometer and the inboard wall is required. The figure below shows the position of the old diffractometer in the hutch, with clearances.

The beam height varies from 1426 to 1568 mm at the position of the diffractometer, depending upon the detailed optical configuration. The tabletop surface height range is 576.8 – 703.8 mm but can be lowered by removing 2-inch blocks under the vertical jactuator legs. The existing diffractometer is 892 mm from its base to center-of-rotation. A diagram showing the table and beam center follows. Note that any moving parts for the horizontal 2-theta (nu) must clear the tops of the vertical jactuator posts.

A top-view drawing of the table follows:

Sample support:

The chi-phi Eulerian cradle shall support a range of sample holders (not included), including 1x1

in. wafer pieces on a vacuum-chuck post, inert gas flow-through chambers surrounding the post, 6-inch wafer strips on x-y linear slides for combinatorial measurements, and potentially low-temperature cryostats or stages. The volume above the phi stage must be large enough to support any of these, and the phi circle shall be able to accommodate a Displex cryostat, including its adjustable mount. The inner diameter of the chi circle shall be no less than 360

mm. The minimum distance from the top of the phi stage to the center of rotation (beam center) shall be no less than 115 mm.

Detector and flight path support:

The end of the dovetail for mounting slides that support flight paths and detectors onto the 2-theta arm shall be no less than 1000 mm from the center of rotation. Because the components mounted on the detector arm vary widely, the counterweight shall be adjustable.

Specifications 6+2-circle (psi) diffractometer (vertical and horizontal 2-theta and theta, chi, and phi circles, plus anal/detector 2-circle goniometer described below), including all adapter plates, support frames, and counterweights, and adjustable leveling (vlier) pads for mounting on the table

• Dovetail and 2 slides on the detector arm of vertical 2-theta stage for supporting flight path and detectors (flight path and detectors not included)

• 2-circle goniometer on slide with goniometer head and alignment pin for analyzer crystal (crystal not included) and 2-theta arm and slide for mounting detector (detector not included), to mount on detector arm dovetail.

• Adjustable counterweight to detector arm, on vertical 2-theta circle

• Z-stage with ~25 mm travel, mounted on phi circle, and removable

• XY stage with ~+/- 6mm travel and Rx Ry tilt segments goniometer with alignment pin, mounted on z-stage, and removable

• XY stage with ~+/- 75 mm travel, removable

• Displex cryostat mount, motor controlled

• All stepper motors, gear reducers, and encoders

• Accessible motor control and encoder cable termination points on the diffractometer

• Assembled and tested

Performance specifications

• The 6-circle diffractometer shall provide scattering capability in the horizontal and vertical planes using four rotational circles for the sample and two for the detector arm. All six rotational motions, which are shown below, shall be independent.

• The sample sphere of confusion (SSOC) is defined as the sphere with the smallest diameter which is tangent to or touches all of the axes of the various rotational motions that directly affect the orientation of an object mounted at the center of rotation. These motions are the horizontal and vertical theta motions, chi, and phi. SSOC diameter shall be ≤ 0.04 mm. Detector circles SOC shall be ≤ 0.05 mm.

• Motors shall hold their position when powered down.

• The phi circle shall be offset from the chi circle by an amount sufficient to allow 360 ̊phi rotation of a cryostat carrier.

• The phi circle shall include a removable small-travel xyz stage.

• The small-travel xy-stage shall be removable from the z-stage and have a removeable Rx

Ry partial arc goniometer.

• Larger-travel xy-stage shall be interchangeable with the smaller-travel xy-stage.

• The detector arm shall be outfitted with two removable slides upon which various detector components will be mounted.

• The analyzer-detector 2-circle goniometer shall be mounted on a slide and the detector circle shall have a smaller dovetail mount and slide upon which a government owned detector will be mounted. (detector not included)

• Counterweights shall be used to achieve the SSOC and detector circles SOC performance specifications.

• The counterweight on the vertical 2-theta circle opposite the detector arm will be adjustable.

• The motorize cryostat carrier will hold a 72 kilogram cryostat expander head.

Specification table:

Parameter Specification/description Chi circle opening diameter ≥ 360 mm Distance from phi-circle surface to beam ≥ 115 mm Phi-circle offset (in upstream direction) ≥ 63 mm Detector arm length, from center of rotation ≥ 1000 mm Radius of sweep of 6-circle ≤ 1010 mm Clearance at inboard hutch wall ≥ 420 mm Height of diffractometer at center of rotation ≤ 890 mm Total weight of diffractometer ≤ 1150 kg (2500 lbs) Max load on z-stage ≥ 10 kg (22 lbs) Max load on small xy-stage ≥ 2 kg (4.5 lbs) Max load on large xy-stage ≥ 10 kg (22 lbs) Max detector load ≥ 15 kg (33 lbs) Size of diffractometer base ≤ 600 x 600 mm

Motion specifications:

Motion Parameter Specification/description vertical 2-theta (del) Drive

Range Resolution

Motorized, with incremental encoder -30° to ≥ 180° 0.001° vertical theta (eta) Drive Range Resolution

Motorized, with incremental encoder -30° to ≥ 180° 0.001 horizontal 2-theta (nu) Drive Range Resolution

Motorized, with incremental encoder -45° to ≥ 45° 0.001 horizontal theta (mu) Drive Range Resolution

Motorized, with incremental encoder -45° to ≥ 45° 0.001 chi Drive Range Resolution

Motorized, with incremental encoder -100° to ≥ 190° 0.001 phi Drive Range Resolution

Motorized, with incremental encoder Full 360° rotation 0.001 analyzer Drive Range Resolution

Motorized Full 360° rotation 0.001 detector Drive Range Resolution

Motorized -100° to 100° 0.001

Z stage Drive Range Resolution

Motorized 0 to ≥ 25 mm

0.001 mm (microstepped) smaller-range XY stage Drive Range Resolution

Motorized ≥ ±5 mm

0.001 mm (microstepped) larger-range XY stage (optional)

Drive Range Resolution

Motorized, with encoder ≥ ±75 mm

0.001 mm (microstepped)

I. DELIVERABLES

Description Qauntity Format Delivered To Due Date

Manual 1 Electronic COR At time of delivery of item

Test Data 1 set Electronic COR 5 days before delivery is scheduled

Mechanical and Electrical drawings

1 set Electronic COR At time of delivery of item

Acceptance of deliverables: The NIST COR shall review listed deliverables and respond with an acceptance or request for revision email to the Contractor Point of Contact (POC) within 10 days of receipt of deliverable.

II. DELIVERY TERMS

Delivery shall be F.O.B Destination

FOB Destination means: The contractor shall pack and mark the shipment in conformance with carrier requirements, deliver the shipment in good order and condition to the point of delivery specified in the purchase order, be responsible for any loss of and/or damage to the goods occurring before receipt and acceptance of the shipment by the consignee at the delivery point specified in the purchase order; and pay all charges to the specified point of delivery.

The contractor shall deliver all Line Items (365days ARO) during regular business hours to:

Beamline 6BM Building 740Brookhaven National Laboratory Upton NY 11973

INSPECTION & ACCEPTANCE

The Government reserves the right to perform such performance tests and evaluations as defined below to verify specified system performance. Such tests and evaluations, if performed, shall be conducted within the environment that the system is to be operated. The Contractor has the right to be present during the tests and evaluations, if performed, at the Contractor’s expense.

Performance Tests:

A visual inspection of the equipment will be performed by NIST to identify surface defects or any form of indication that any equipment was damaged during transport to NIST. The Government shall have sole discretion to require repair or replacement of damaged and/or nonconforming supplies at no cost to the Government. The Government at any time prior to acceptance shall reject the equipment due to defects and/or nonconformance. The vendor is responsible for latent defects discovered any time after final inspection. However, the extent of its liability shall be prorated over the useful life of the equipment.

Ownership of the equipment shall transfer to NIST upon acceptance by the Government.

The Government will test, inspect, and accept or reject the equipment within 4 months of the receipt of the equipment. The Government reserves the right to conduct quality assurance testing to confirm that a given instrument(s) meets the manufacturer’s and/or the Government’s performance specifications. It is anticipated that the equipment will meet all manufacturer’s specifications and/or the Government’s performance specifications identified in the most recent operations and maintenance manual for each piece of equipment and/or in this document.

III. STANDARD COMMERCIAL WARRANTY

The contractor shall warranty the entire system for a period of a minimum of 12 months after government acceptance. Other items in the specifications are identified with a longer warranty period.

IV. MISCELLANEOUS INFORMATION

Regular Business Hours. Regular business hours are Monday through Friday, as applicable 8:00 am to 5:00 pm Eastern Time, excluding Federal holidays and closures.