# Crystallite Size Calculator AI Agent Connect

> Analyze XRD data to determine crystallite size, microstrain, and instrumental broadening.

## Overview
- **Category:** science
- **Price:** Free
- **Endpoint:** https://edge.vinkius.com/vk_preview_SGpGYNjR3ctR908g4mNz4H0F3QGkXydlg1iE2gGi/ai-agent-connect
- **Tags:** xrd, crystallography, scherrer, microstrain, physics

## Description

This MCP server provides specialized tools for X-ray Diffraction (XRD) analysis. It allows AI agents to calculate physical characteristics of crystalline materials using the Scherrer equation and Williamson-Hall analysis. Users can determine crystallite size with `calculate_scherrer_size`, isolate lattice distortions using `analyze_microstrain`, and account for equipment effects via `estimate_instrumental_broadening`. For a complete material profile, `perform_williamson_hall_analysis` combines these factors to provide both average size and microstrain.

## Tools

### analyze_microstrain
Separates the microstrain component from the total peak broadening

### calculate_scherrer_size
Calculates the crystallite size using the Scherrer equation

### estimate_instrumental_broadening
Determines the width contribution caused by the measurement equipment

### perform_williamson_hall_analysis
Conducts a comprehensive analysis by combining size and strain effects

## Prompt Examples

**Prompt:** 
```
Calculate the crystallite size for a peak with width 0.5, wavelength 0.154, and theta 15.0.
```

**Response:** 
```
The calculated crystallite size is 25.4 nm.
```

**Prompt:** 
```
What is the microstrain if the observed width is 0.8, the size-induced width is 0.5, and theta is 20.0?
```

**Response:** 
```
The estimated microstrain is 0.0012.
```

**Prompt:** 
```
Get the instrumental broadening for a standard lab XRD.
```

**Response:** 
```
The instrumental broadening width is 0.045.
```

## Frequently Asked Questions

**What is the primary use of this tool?**
It is used to calculate crystallite size and microstrain from X-ray diffraction peak data.

**How do I account for my XRD machine's specific characteristics?**
You can use the `estimate_instrumental_broadening` tool with a standard profile like 'standard_lab_xrd' to find the equipment's width contribution.

**Can I perform a full Williamson-Hall analysis?**
Yes, by providing multiple peak data points to the `perform_williamson_hall_analysis` tool, you can derive both size and strain.