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| import json | |
| # ---- For system chart extraction ---- | |
| PROMPTS_CLASSIFICATION = """In the field of materials science research, scholarly papers typically align with one of three research paradigms: | |
| Experimental Research: These papers are grounded in experimental methodologies, detailing the use of specific material processing techniques to achieve desired material structures. The focus is on empirically demonstrating how these processing methods influence the material's mechanical, thermal, chemical, electrical, or other relevant properties. While the paper may include brief computational analysis methods, these are not the main subject or the primary emphasis. Papers in this category typically feature experimental data, analyses of structural characteristics, and discussions on how processing conditions affect the material's performance. | |
| Computational Research: These papers focus solely on computational models or simulations, employing methods like density functional theory (DFT), molecular dynamics (MD), finite element analysis, thermodynamic calculations, or other modeling approaches to predict and analyze the behavior and performance of materials at various scales (atomic, molecular, or macroscopic level). The focus is on theoretical predictions and simulations, excluding any actual processing of materials. Such papers discuss the theoretical framework, present simulation results, and explore the implications of these findings for potential material processing strategies. | |
| Mixed Research: These papers combine experimental and computational approaches, employing computational techniques to conceptualize potential materials or processes, followed by experimental procedures to synthesize these materials and evaluate their characteristics. The content includes substantial theoretical analysis and extensive experimental research, with both parts occupying a significant portion of the text. | |
| Please evaluate the attached paper and determine which category it best fits. Provide a succinct classification and reasoning for your decision, considering aspects like the research methodology, primary focus (experimental vs. theoretical), data analysis, and the nature of the conclusions drawn. | |
| Strictly respond in the following format: | |
| Category: [Experimental, Computational, or Mixed] | |
| Reasons: [Offer a concise explanation, referencing specific elements such as the research methods (experimental or computational), the primary focus of the paper, the type of data presented (experimental results or simulation data), and how the conclusions relate to practical applications or theoretical advancements in the field of materials science.]""" | |
| PROMPTS_EXPERIMENTAL = [ | |
| """ | |
| Identify the material's key properties explicitly stated in the text. Properties are measurable or behavioral characteristics, not structural features or processing methods. Focus only on properties explicitly stated. Include general environmental conditions (e.g., high temperature) if provided, but avoid numerical values. Use semicolons to separate answers. Keep the response under 10 words total.""", # Get the target property. | |
| """ | |
| Comprehensively summarize structural features relevant to the material's properties or behavior mechanisms as discussed in the paper. Report only distinct, noun-based features explicitly stated in the text. Keep every structural characteristic as concise as possible, and use semicolons to separate your responses. Please make sure your answer here is no more than 20 words.""", # Get the structure of the material. | |
| """ | |
| First, provide the general composition of the material using only terms explicitly mentioned in the text. Then, if any, list key added chemical element explicitly mentioned as **significantly** affecting performance or structure, described only in general terms without numerical values or fine concentration details. Ensure composition and key addition element are distinct from structure information. Respond in this format: Composition: YOUR ANSWER; Key element addition: YOUR ANSWER. If no such key component is identified, state 'N/A'.""", # Get the composition and key components (if any) of the material. | |
| """ | |
| 1. Construct a table linking structure, associated mechanisms, and resultant material properties. Consider only the structures and properties outlined in the prerequisites, without altering them when completing the table. The mechanisms described in the paper should always take precedence. Present your findings in a table format with three columns: Structure, Mechanism (Structure & Property), and Property. Include every listed structure and describe the mechanism in detail to prevent ambiguity. | |
| 2. Please include the effects of environmental conditions on structural characteristics within the mechanisms, if the corresponding property is influenced by environmental conditions. | |
| 3. To ensure clarity and accuracy in indicating the source of each mechanism (except when N/A), adhere to the following guidelines in your responses: For Mechanisms Directly from the Original Text: If the explanation or mechanism you provide is directly taken or closely paraphrased from the original text, indicate this using the format: "XXX (From text)". For Mechanisms Derived from Your Own Knowledge Base: If the explanation or mechanism is not found in the original text and instead comes from your understanding or external knowledge, use the format: "XXX (From knowledge base)". Please strictly follow this format for each mechanism you explain. | |
| """, # Get the mechanism between the target property and the structure. | |
| """List the key processing or manufacturing techniques explicitly stated in the text provided for this material; do not base your answers on typical experience. Avoid mentioning details about micro/macro structures. Use semicolons to separate your answers. Additional Requirements: 1. Exclude any processing methods that are hypothetical or proposed as future improvements. Only include those explicitly employed in the current context of the material's manufacturing or processing. 2. Focus solely on manufacturing/synthesis methods, excluding analytical methods like testing and characterization techniques. | |
| """, # Get the processing method of the material. | |
| """ | |
| 1. Construct a table that maps structures to their influential processing methods and the mechanisms responsible for their formation. Frame the relationship as follows: "The [processing method] yields [structure] via the [mechanism]." For instance, "Rapid cooling produces fine-grained structures through accelerated nucleation." Ensure a logical and coherent connection among these three elements. The table should consist of three columns titled 'Processing', 'Mechanism (Processing & Structure)', and 'Structure'. Incorporate all relevant structures, omitting those not pertinent to the discussion. Consider only the processing methods specified in the 'processing list'. Each row's 'Processing' cell must contain exactly one processing method; if a structure is formed by several processing methods, create a separate row for each. Each structure must be matched with pertinent processing methods and their mechanisms, emphasizing a clear and logical link among them. The table's content should be concise, focusing exclusively on the interplay between processing methods, mechanisms, and structures. | |
| 2. For clarity and precision in citing the origin of each mechanism (except when not applicable), adhere to the guidelines below in your responses: For mechanisms directly quoted or closely paraphrased from the original text, use the format: "XXX (From text)". For mechanisms derived from your own knowledge or external sources, use the format: "XXX (From knowledge base)". Strictly follow this format for every mechanism explanation provided.""", # Get the mechanism between the structure and the processing. | |
| "Review the provided list that details the composition of the material, including any special component additions. Analyze and identify any components in the list that significantly influence the material's structure. If any such components are identified, add them to the 'Processing' column of the final table's corresponding row. Please do not overwrite the content in the 'Processing' column of the original table unless it is marked as N/A, and refrain from creating a new column for composition/key components.", # Try to add composition and key components into the Processing column. | |
| """Merge the two extracted tables into a single comprehensive table, with the 'Structure' column serving as the primary criterion for merging. Here are the specific instructions: | |
| 1. Merging Based on Structure: Combine the tables into one, aligning entries based on similarities or matches in the 'Structure' column. | |
| 2. Handling Non-Matching Structures: For entries in the 'Structure' column that do not match, analyze their relevance and importance based on the context provided by the source papers. | |
| 3. Decision on Exclusion: After analysis, decide whether the non-matching structure entries are essential to the merged table's overall content and purpose. If not, consider removing these entries to maintain coherence and relevance. | |
| 4. Columns of the final table: Include Processing, Mechanism (Processing & Structure), Structure, Mechanism (Structure & Property), and Property. | |
| 5. Ensure the final table is complete, with no gaps. Adjust content as needed for accuracy and consistency with the original texts. | |
| 6. Mark all uncertain positions as 'N/A'. Replace all blank positions with 'N/A'. | |
| 7. Prune the table: Examine each row; remove rows with three or more 'N/A' entries. Keep rows with fewer than three 'N/A' entries. If significant information is lost due to pruning, incorporate essential details into other rows, ensuring data coherence and rationale are preserved. | |
| 8. After completing the above steps, review the document to assess the content's rationality and identify any extraneous content for removal. | |
| 9. Only the final, corrected table is required; details about the process are not needed. | |
| The goal is to produce a unified table that accurately reflects the combined data, focusing on maintaining relevance and coherence, especially regarding the 'Structure' column.""", # Merge the two tables. | |
| ] | |
| PROMPTS_COMPUTATIONAL = [ | |
| """Identify the material's key properties explicitly stated in the text. Properties are measurable or behavioral characteristics, not structural features or processing methods. Focus only on properties explicitly stated. Include general environmental conditions (e.g., high temperature) if provided, but avoid numerical values. Use semicolons to separate answers. Keep the response under 10 words total.""", # Get the target property. | |
| "Comprehensively summarize structural features relevant to the material's properties or behavior mechanisms as discussed in the paper. Report only distinct, noun-based features explicitly stated in the text. Keep every structural characteristic as concise as possible, and use semicolons to separate your responses. Please make sure your answer here is no more than 20 words.", # Get the structure of the material. | |
| "First, provide the general composition of the material using only terms explicitly mentioned in the text. Then, if any, list key added chemical element explicitly mentioned as **significantly** affecting performance or structure, described only in general terms without numerical values or fine concentration details. Ensure composition and key addition element are distinct from structure information. Respond in this format: Composition: YOUR ANSWER; Key element addition: YOUR ANSWER. If no such key component is identified, state 'N/A'.", # Get the composition and key components (if any) of the material. | |
| """ | |
| 1. Construct a table linking structure, associated mechanisms, and resultant material properties. Consider only the structures and properties outlined in the prerequisites, without altering them when completing the table. The mechanisms described in the paper should always take precedence. Present your findings in a table format with three columns: Structure, Mechanism (Structure & Property), and Property. Include every listed structure and describe the mechanism in detail to prevent ambiguity. | |
| 2. Please include the effects of environmental conditions on structural characteristics within the mechanisms, if the corresponding property is influenced by environmental conditions. | |
| 3. To ensure clarity and accuracy in indicating the source of each mechanism (except when N/A), adhere to the following guidelines in your responses: For Mechanisms Directly from the Original Text: If the explanation or mechanism you provide is directly taken or closely paraphrased from the original text, indicate this using the format: "XXX (From text)". For Mechanisms Derived from Your Own Knowledge Base: If the explanation or mechanism is not found in the original text and instead comes from your understanding or external knowledge, use the format: "XXX (From knowledge base)". Please strictly follow this format for each mechanism you explain. | |
| """, # Get the mechanism between the target property and the structure. | |
| """ | |
| 1. Construct a table that maps structures to their critical compositions/key components and the mechanisms responsible for their formation. This table should consist of three columns: 'Composition/key components', 'Mechanism (Composition/key components & Structure)', and 'Structure'. Incorporate all relevant structures provided and omit those that do not apply to the context. For each structure, if a direct causation from composition or key components is evident, list these in the 'Composition/key components' column; otherwise, enter 'N/A'. Ensure a clear logical relationship among these three categories. The table's details should be concise, focusing specifically on the interplay between the composition/key components, mechanisms, and structures. | |
| 2. To maintain clarity and precision when referencing the origins of each mechanism (except when N/A), adhere to the following instructions in your responses: For mechanisms directly extracted or closely paraphrased from the original text, use the notation: "XXX (From text)". For mechanisms that originate from your personal knowledge or external sources, apply the notation: "XXX (From knowledge base)". Please strictly follow this notation for each mechanism described. | |
| """, # Get the mechanism between the structure and the composition/key components. | |
| """Merge the two extracted tables into a single comprehensive table, focusing on the 'Structure' column as the primary criterion for merging. Follow these specific instructions: | |
| 1. Merging Based on Structure: Combine the two tables into one, aligning entries by matching or similar 'Structure' column values. | |
| 2. Handling Non-Matching Structures: For 'Structure' column entries that do not match between the two tables, analyze their relevance and importance based on the context of the source papers. | |
| 3. Decision on Exclusion: Decide whether to include non-matching structure entries in the merged table based on their significance to its overall content and purpose. Exclude entries that are not crucial to maintain coherence and relevance. | |
| 4. Columns of the Final Table: Include the following columns - Composition/Key Components, Mechanism (Composition/Key Components & Structure), Structure, Mechanism (Structure & Property), and Property. | |
| 5. Ensure the table is complete, with no missing information. Modify content as necessary for accuracy and consistency with the original sources. | |
| 6. Represent all uncertain data as 'N/A'. Replace any blank fields with 'N/A'. | |
| 7. Perform Pruning: Review each row for instances of 'N/A'. Remove rows with three or more 'N/A' entries, but strive to incorporate essential details from such rows into others, preserving data coherence and rationale. | |
| 8. After completing these steps, reassess the document to identify and eliminate any irrelevant content, ensuring the table's rationality and relevance. | |
| 9. Only the final, corrected table is required without the need for detailed explanations. | |
| The goal is to produce a unified table that accurately represents the merged data, with an emphasis on relevance and coherence, particularly in relation to the 'Structure' column. | |
| Final modifications: If 'Processing' still shows in the table, replace it to 'Composition/key components'. The content within the column should remain unchanged. If 'Mechanism (Processing & Structure)' still shows in the table, replace it to 'Mechanism (Composition/key components & Structure)'. The content within the column should remain unchanged.""", # Final modifications and merge the two tables. | |
| ] | |
| PROMPTS_MIXED = [ | |
| """As discussed earlier, this paper is comprehensive, combining both experimental techniques and computational models. Please divide the paper into three sections: A) Computational model and theoretical analysis of the material, B) Material synthesis and manufacturing, and C) Material's performance testing. Keep in mind not to submit the results of your division. | |
| Identify the material's key properties explicitly stated in the text. Properties are measurable or behavioral characteristics, not structural features or processing methods. Focus only on properties explicitly stated. Include general environmental conditions (e.g., high temperature) if provided, but avoid numerical values. Use semicolons to separate answers. Keep the response under 10 words total.""", # Get the target property. | |
| "Comprehensively summarize structural features relevant to the material's properties or behavior mechanisms as discussed in the paper. Report only distinct, noun-based features explicitly stated in the text. Keep every structural characteristic as concise as possible, and use semicolons to separate your responses. Please make sure your answer here is no more than 20 words.", # Get the structure of the material. | |
| "First, provide the general composition of the material using only terms explicitly mentioned in the text. Then, if any, list key added chemical element explicitly mentioned as **significantly** affecting performance or structure, described only in general terms without numerical values or fine concentration details. Ensure composition and key addition element are distinct from structure information. Respond in this format: Composition: YOUR ANSWER; Key element addition: YOUR ANSWER. If no such key component is identified, state 'N/A'.", # Get the composition and key components (if any) of the material. | |
| """ | |
| 1. Construct a table linking structure, associated mechanisms, and resultant material properties. Consider only the structures and properties outlined in the prerequisites, without altering them when completing the table. The mechanisms described in the paper should always take precedence. Present your findings in a table format with three columns: Structure, Mechanism (Structure & Property), and Property. Include every listed structure and describe the mechanism in detail to prevent ambiguity. | |
| 2. Please include the effects of environmental conditions on structural characteristics within the mechanisms, if the corresponding property is influenced by environmental conditions. | |
| 3. To ensure clarity and accuracy in indicating the source of each mechanism (except when N/A), adhere to the following guidelines in your responses: For Mechanisms Directly from the Original Text: If the explanation or mechanism you provide is directly taken or closely paraphrased from the original text, indicate this using the format: "XXX (From text)". For Mechanisms Derived from Your Own Knowledge Base: If the explanation or mechanism is not found in the original text and instead comes from your understanding or external knowledge, use the format: "XXX (From knowledge base)". Please strictly follow this format for each mechanism you explain. | |
| """, # Get the mechanism between the target property and the structure. | |
| """Only focus on section B, list the key processing or manufacturing techniques explicitly stated in the text provided for this material; do not base your answers on typical experience. Avoid mentioning details about micro/macro structures. Use semicolons to separate your answers. Additional Requirements: 1. Exclude any processing methods that are hypothetical or proposed as future improvements. Only include those explicitly employed in the current context of the material's manufacturing or processing. 2. Focus solely on manufacturing/synthesis methods, excluding analytical methods like testing and characterization techniques. | |
| """, # Get the processing method of the material. | |
| """ | |
| 1. Construct a table that maps structures to their influential processing methods and the mechanisms responsible for their formation. Frame the relationship as follows: "The [processing method] yields [structure] via the [mechanism]." For instance, "Rapid cooling produces fine-grained structures through accelerated nucleation." Ensure a logical and coherent connection among these three elements. The table should consist of three columns titled 'Processing', 'Mechanism (Processing & Structure)', and 'Structure'. Incorporate all relevant structures, omitting those not pertinent to the discussion. Consider only the processing methods specified in the 'processing list'. Each row's 'Processing' cell must contain exactly one processing method; if a structure is formed by several processing methods, create a separate row for each. Each structure must be matched with pertinent processing methods and their mechanisms, emphasizing a clear and logical link among them. The table's content should be concise, focusing exclusively on the interplay between processing methods, mechanisms, and structures. | |
| 2. For clarity and precision in citing the origin of each mechanism (except when not applicable), adhere to the guidelines below in your responses: For mechanisms directly quoted or closely paraphrased from the original text, use the format: "XXX (From text)". For mechanisms derived from your own knowledge or external sources, use the format: "XXX (From knowledge base)". Strictly follow this format for every mechanism explanation provided.""", # Get the mechanism between the structure and the processing. | |
| "Review the provided list that details the composition of the material, including any special component additions. Analyze and identify any components in the list that significantly influence the material's structure. If any such components are identified, add them to the 'Processing' column of the final table's corresponding row. Please do not overwrite the content in the 'Processing' column of the original table unless it is marked as N/A, and refrain from creating a new column for composition/key components.", # Try to add composition and key components into the Processing column. | |
| """Merge the two extracted tables into a single comprehensive table, with the 'Structure' column serving as the primary criterion for merging. Here are the specific instructions: | |
| 1. Merging Based on Structure: Combine the tables into one, aligning entries based on similarities or matches in the 'Structure' column. | |
| 2. Handling Non-Matching Structures: For entries in the 'Structure' column that do not match, analyze their relevance and importance based on the context provided by the source papers. | |
| 3. Decision on Exclusion: After analysis, decide whether the non-matching structure entries are essential to the merged table's overall content and purpose. If not, consider removing these entries to maintain coherence and relevance. | |
| 4. Columns of the final table: Include Processing, Mechanism (Processing & Structure), Structure, Mechanism (Structure & Property), and Property. | |
| 5. Ensure the final table is complete, with no gaps. Adjust content as needed for accuracy and consistency with the original texts. | |
| 6. Mark all uncertain positions as 'N/A'. Replace all blank positions with 'N/A'. | |
| 7. Prune the table: Examine each row; remove rows with three or more 'N/A' entries. Keep rows with fewer than three 'N/A' entries. If significant information is lost due to pruning, incorporate essential details into other rows, ensuring data coherence and rationale are preserved. | |
| 8. After completing the above steps, review the document to assess the content's rationality and identify any extraneous content for removal. | |
| 9. Only the final, corrected table is required; details about the process are not needed. | |
| The goal is to produce a unified table that accurately reflects the combined data, focusing on maintaining relevance and coherence, especially regarding the 'Structure' column.""", # Merge the two tables. | |
| ] | |
| # ---- For system chart normalization ---- | |
| PROMPTS_SYSTEM_CHART_NORMALIZATION = [ | |
| # 1 ──────────────────────────────────────────────────────────────── | |
| """A list of structures has been extracted from a table. | |
| Task: | |
| • Group the structures by the physical constituent of the material each one describes — a distinct phase, region, or boundary that could be pointed to in a micrograph. | |
| • An attribute of a constituent belongs to that constituent's group — an attribute is never a group of its own. | |
| • Name each group after its constituent: a short, singular, capitalized name of one or two words, preferring the terminology used in the input itself. | |
| • Keep distinct constituents in distinct groups, and use the fewest groups that cleanly partition the structures. | |
| • Return the categorization in JSON format only, with no additional text or explanation. | |
| • Each structure should appear in exactly one group. | |
| • Use the exact structure names as provided in the input. | |
| Required JSON format: | |
| { | |
| "categories": { | |
| "Constituent Name 1": ["Structure 1", "Structure 2", "Structure 3"], | |
| "Constituent Name 2": ["Structure 4", "Structure 5"] | |
| } | |
| } | |
| Structures:\n""", | |
| # 2 ──────────────────────────────────────────────────────────────── | |
| """ | |
| Please carefully review each row of the table. | |
| Task: | |
| 1. If any row contains specific parameters (e.g., "Yield strength of XXX MPa"), simplify them (e.g., "Yield strength"). | |
| 2. Do not remove any compositions or key elements. | |
| 3. Do not change the mechanisms. | |
| 4. Do not remove any environmental conditions (e.g., temperature) under 'Property'. | |
| 5. Unify the expression for similar properties (e.g., 'High yield strength' and 'Exceptional strength'). | |
| 6. Ensure every property starts with a capital letter. | |
| 7. Do not classify cost or cost-related statements as a material property. | |
| 8. Please place greater emphasis on extracting the major information of the paper, focusing on the main processing, structural features, mechanisms, and properties that define the core conclusions. | |
| Table to modify: | |
| """, | |
| # 3 ──────────────────────────────────────────────────────────────── | |
| """ | |
| Note that the mechanisms listed under "Mechanism (Processing & Microstructure)" might have mixed mechanisms for processing methods and composition/key elements. | |
| Task: | |
| 1. Separate the mechanisms for processing methods and for composition/key elements into individual rows, so that each row's 'Processing' cell contains exactly one processing method or one key element/composition. | |
| 2. Determine whether each mechanism is a processing method or a key element/composition using the provided paper. | |
| 3. Allocate the mechanisms without significant changes to their content. | |
| 4. Keep the rest of the table unchanged. | |
| 5. After splitting, re-evaluate all mechanisms under "Mechanism (Processing & Microstructure)" to tag them as either "(From text)" or "(From knowledge base)" based on their origin. | |
| 6. If a compound mechanism is split into multiple individual mechanisms, the final table must not retain any rows that still contain that compound or partially combined mechanism. | |
| Example for splitting (for reference only): | |
| Before splitting: | |
| | Processing | Mechanism (Processing & Microstructure) | Microstructure | Mechanism (Microstructure & Property) | Property | | |
| |------------|-----------------------------------------|----------------|--------------------------------------|----------| | |
| | Processing; Key element addition | Mechanism linking Processing and Microstructure; Mechanism linking key element addition and Microstructure (From text)| Microstructure | Mechanism linking Microstructure and Property | Property | | |
| After splitting: | |
| | Processing | Mechanism (Processing & Microstructure) | Microstructure | Mechanism (Microstructure & Property) | Property | | |
| |------------|-----------------------------------------|----------------|--------------------------------------|----------| | |
| | Processing | Mechanism linking Processing and Microstructure (From knowledge base)| Microstructure | Mechanism linking Microstructure and Property | Property | | |
| | Key element addition | Mechanism linking key element addition and Microstructure (From text)| Microstructure | Mechanism linking Microstructure and Property | Property | | |
| Table to modify: | |
| """, | |
| # 4 ──────────────────────────────────────────────────────────────── | |
| """ | |
| Currently, a single row may contain multiple properties. | |
| Task: | |
| 1. Separate each property into a different row while keeping the columns 'Processing', 'Mechanism (Processing & Microstructure)', and 'Microstructure' unchanged. | |
| 2. For each property, review the mechanisms in "Mechanism (Microstructure & Property)". Determine which mechanisms are relevant to that property based on the content (ignoring degree adverbs) and include all qualified mechanisms (including those related to environmental conditions). | |
| Example (for reference only): | |
| Before: | |
| | Processing | Mechanism (Processing & Microstructure) | Microstructure | Mechanism (Microstructure & Property) | Property | | |
| |------------|-----------------------------------------|----------------|--------------------------------------|----------| | |
| | Processing #1| Mechanism linking Processing #1 and Microstructure #1 (From text)| Microstructure #1 | Mechanism #1 linking Microstructure #1 and Property #1; Mechanism #2 linking Microstructure #1 and Property #2 | Property #1; Property #2 | | |
| After: | |
| | Processing | Mechanism (Processing & Microstructure) | Microstructure | Mechanism (Microstructure & Property) | Property | | |
| |------------|-----------------------------------------|----------------|--------------------------------------|----------| | |
| | Processing #1| Mechanism linking Processing #1 and Microstructure #1 (From text)| Microstructure #1 | Mechanism #1 linking Microstructure #1 and Property #1 | Property #1 | | |
| | Processing #1| Mechanism linking Processing #1 and Microstructure #1 (From text)| Microstructure #1 | Mechanism #2 linking Microstructure #1 and Property #2 | Property #2 | | |
| Table to modify: | |
| """, | |
| # 5 ──────────────────────────────────────────────────────────────── | |
| """ | |
| Task: | |
| Step 1. Check if any row has 'N/A' in the 'Structure' column. | |
| Step 2. For rows with 'N/A', compare the 'Processing' and 'Mechanism (Processing & Structure)' values with other rows. If a match is found, replace 'N/A' with the corresponding value. | |
| Step 3. Repeat for all 'N/A' in 'Structure'. | |
| Step 4. Next, check for 'N/A' in the 'Property' column. | |
| Step 5. For rows with 'N/A' in 'Property', compare the 'Structure' and 'Mechanism (Structure & Property)' values with other rows. If a match is found, replace 'N/A' accordingly. | |
| Step 6. Provide the updated table. Please return only the content of the chart, removing all modifiers and comments (for example, omit phrases like 'the above table'). | |
| Table to modify: | |
| """, | |
| ] | |
| # ---- For hypothesis generation ---- | |
| def create_design_goals_analysis_prompt(description): | |
| """Analyze a free-form materials-design description and extract the two key target properties. | |
| The user writes a paragraph about what they want to design (goals, trade-offs, | |
| ideal properties, constraints, target application). This prompt asks the model to | |
| distill that into exactly two distinct target properties/mechanisms that the | |
| hypothesis generation should target simultaneously. | |
| Each returned property also carries the material system and operating environment | |
| when the researcher states them. These two strings are the only channel from the | |
| researcher's description into create_hypotheses_generation_prompt(), so context | |
| dropped here (e.g. "high entropy alloys", "at cryogenic temperature") is lost for | |
| the rest of the pipeline. | |
| """ | |
| return f'''You are assisting a materials scientist who is setting up a materials-design hypothesis generation task. The task requires exactly TWO target material properties (or performance goals) that the design must achieve simultaneously, since the tool works by finding synergistic combinations between two objectives that are often in tension (a trade-off). | |
| Read the researcher's description of their design goal below, delimited by triple quotes: | |
| """{description}""" | |
| From this description, identify the TWO most important, distinct target material properties (or performance goals) that best capture what the researcher wants to achieve simultaneously. | |
| Rules: | |
| 1. Return exactly two properties. | |
| 2. Each property must be a concise noun phrase naming the target property (typically 2-6 words), e.g. "High tensile strength", "Good ductility", "High ionic conductivity", "Low thermal expansion". | |
| 3. If the researcher names a material system (e.g. "high entropy alloys", "solid electrolytes") and/or an operating environment or condition (e.g. "under cryogenic temperature", "at high pressure", "in seawater"), append that context to BOTH properties so each one reads as a complete design target. For example, "For high entropy alloys, I want both high strength and good ductility under cryogenic temperature" becomes: | |
| Property 1: High strength in high entropy alloys under cryogenic temperature | |
| Property 2: Good ductility in high entropy alloys under cryogenic temperature | |
| Both properties must carry the SAME material system and environment; only the property itself differs. Keep each line under about 15 words. | |
| 4. If the researcher names neither a material system nor an operating environment, return the bare property phrase alone. | |
| 5. The two properties must be distinct and non-overlapping. When the description implies a trade-off (e.g. strength vs. ductility), the two properties should reflect the two competing sides. | |
| 6. Prefer properties explicitly mentioned by the researcher. Only infer a property if the description clearly implies it. | |
| 7. Do not add explanations, units, target values, or any text beyond the property, material system, and operating environment. | |
| Respond STRICTLY in the following format and output nothing else: | |
| Property 1: <first property> | |
| Property 2: <second property>''' | |
| def create_hypotheses_generation_prompt(material_goal_1, material_goal_2): | |
| """Create the hypotheses generation prompt with user-specified material design goals.""" | |
| return f'''Background Information: The table you're referring to has been compiled from various system charts found in multiple research papers. Whenever the same paper number appears more than once in the table, it indicates that the entries originate from the same research study. In many materials science challenges, achieving {material_goal_1} requires innovative design approaches. The challenge is to design materials that can maintain {material_goal_2} across multiple demanding criteria simultaneously. This necessitates the synergistic combination of special design principles for superior material properties with relevant deformation mechanisms to find innovative design solutions. | |
| Task Objective: The objective of this research is to design materials that exhibit {material_goal_1} while maintaining {material_goal_2}. Please strictly adhere to this theme. | |
| Step 1: Begin by thoroughly reviewing each entry in the table. Then, identify some mechanisms that contribute to {material_goal_1}. | |
| Step 2: Review each entry again and select some mechanisms targeting {material_goal_2}, which have synergistic effects with the ideas you selected in Step 1. Ideas selected in Step 1 and Step 2 should come from different papers. Synergistic effects occur when scientific discoveries from different papers can be combined to create a greater positive impact than each would produce on its own. These synergistic effects are not just additive but multiplicative. | |
| Detailing Synergistic Hypotheses: For each hypothesis you formulate, provide a detailed explanation of the structural features or mechanisms that might interact synergistically to achieve both {material_goal_1} and {material_goal_2}. This explanation should go beyond simply summarizing the findings from the papers, suggesting innovative interactions not directly discussed in the original studies. | |
| Citations: When citing specific data or findings from the table, append the source at the end of the sentence using the format '[number]', where '[number]' denotes the corresponding paper number listed in the table. | |
| Ensure you provide me with every potential hypothesis hidden in the table, and each hypothesis should thoroughly address the task in over 400 words. Ensure that your review and hypotheses consider the full breadth of research captured in the table, without bias towards any specific range of paper numbers. Each hypothesis should be well-developed and address the task comprehensively. | |
| Answer me in this form: Hypothesis #1: Idea selected from Step 1: XXX; Idea selected from Step 2: XXX; Synergistic mechanism: XXX.''' |