Multiscale Process Modeling of Semicrystalline PEEK for Tailored Thermomechanical Properties
Year: 2023
Type: article
Abstract: Polyether ether ketone (PEEK) is a semicrystalline thermoplastic that is used in high-performance composites for a wide range of applications. Because the crystalline phase has a higher mass density than that of the amorphous phase, the evolution of the crystalline phase during high-temperature annealing processing steps results in the formation of residual stresses and laminate deformations, which can adversely affect the composite laminate performance. Multiscale process modeling, utilizing molecular dynamics, micromechanics, and phenomenological PEEK crystal kinetic laws, is used to predict the evolution of volumetric shrinkage, elastic properties, and thermal properties, as a function of crystalline phase evolution, and thus annealing time, in the 306-328 °C temperature range. The results indicate that lower annealing temperatures in this range result in a faster evolution of thermomechanical properties and shrinkage toward the pure crystalline values. Therefore, from the perspective of composite processing, it may be more advantageous to choose the higher annealing rates in this range to slow the volumetric shrinkage and allow PEEK stress relaxation mechanisms more time to relax internal residual stresses in PEEK composite laminates and structures.
Language: English
Subfield: Polymers and Plastics
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $5,000
Awards: THE INSTITUTE FOR ULTRA-STRONG COMPOSITES BY COMPUTATIONAL DESIGN (US-COMP) WILL BE FOCUSED ON THE MODELING-DRIVEN DESIGN OF A NEW CLASS OF ULTRA-HIGH-STRENGTH-LIGHTWEIGHT (UHSL) MATERIALS FOR FUTURE MANNED MARS MISSIONS. THESE MATERIALS WILL MEET THE REQUIRED MECHANICAL PERFORMANCE GOALS SET FORTH BY NASA AND EXCEED THOSE EXHIBITED BY CURRENT STATE-OF-THE-ART CARBON-FIBER COMPOSITES. US-COMP S VISION IS TO SERVE AS A FOCAL POINT FOR PARTNERSHIPS BETWEEN NASA OTHER AGENCIES INDUSTRY AND ACADEMIA TO: (1) ENABLE COMPUTATIONALLY-DRIVEN DEVELOPMENT OF CARBON NANOTUBE (CNT)-BASED UHSL STRUCTURAL MATERIALS AND (2) EXPAND THE RESOURCE OF HIGHLY SKILLED ENGINEERS SCIENTISTS AND TECHNOLOGISTS IN THIS EMERGING FIELD TO ENHANCE THE U.S. LEADERSHIP IN CRITICAL LIGHTWEIGHT STRUCTURAL MATERIALS. THIS VISION WILL BE ACHIEVED THROUGH THE FOUR PRINCIPLE OBJECTIVES: ESTABLISH A NEW COMPUTATIONALLY-DRIVEN MATERIAL DESIGN PARADIGM FOR RAPID MATERIAL DEVELOPMENT AND DEPLOYMENT DEVELOP A NOVEL UHSL STRUCTURAL MATERIAL FOR USE IN DEEP SPACE EXPLORATION. THE PANEL-LEVEL TESTS AND DEMONSTRATION OF THE NOVEL MATERIALS WILL BE CARRIED OUT TO MOVE THE DEVELOPED TECHNOLOGY TO A TECHNICAL READINESS LEVEL (TRL) OF 4. DEVELOP NOVEL MODELING PROCESSING AND TESTING TOOLS AND METHODS FOR CNT-BASED COMPOSITE MATERIALS ESTABLISH A POOL OF HIGHLY SKILLED ENGINEERS AND SCIENTISTS TO CONTRIBUTE TO THE MATERIALS DEVELOPMENT WORKFORCE. AN INTERDISCIPLINARY AND DIVERSE TEAM OF RESEARCHERS FROM ACADEMIA INDUSTRY AND NATIONAL LABS WILL PARTICIPATE IN THE PROJECT. THE COMPUTATIONAL DESIGN OF THE MATERIAL WILL BE DRIVEN BY A MODELING EFFORT TO INTEGRATE TOPOLOGICAL OPTIMIZATION ATOMISTIC MODELING MOLECULAR MODELING MESOSCALE MODELING AND CONTINUUM-BASED COMPUTATIONAL MECHANICS. INNOVATIONS IN MATERIALS SYNTHESIS AND MANUFACTURING TECHNIQUES WILL ENSURE THE PERFORMANCE AND SCALE-UP FABRICATION OF AEROSPACE-QUALITY TEST SAMPLES AND PANELS. MULTISCALE TESTING AND CHARACTERIZATION CAPABILITIES WILL BE ESTABLISHED AND INTEGRATED TO VALIDATE THE MODELING AND MANUFACTURING EFFORTS AND TO COMPLETE THE PROOF-OF-CONCEPT CYCLE. PARTICIPATION OF THE INDUSTRIAL PARTNERS WILL PROVIDE AND ENSURE THE SCALABILITY AND AEROSPACE-GRADE QUALITY OF THE DEVELOPED COMPOSITE MATERIAL. THE DEVELOPED MATERIALS AND MATERIALS DEVELOPMENT METHODS WILL HAVE A MAJOR IMPACT ON THE AEROSPACE COMMUNITY. FIRST UHSL MATERIALS WILL BE DEVELOPED WITH THE RIGOROUS STRENGTH MODULUS AND FRACTURE TOUGHNESS PROPERTIES NECESSARY FOR MANNED MARS MISSIONS. SECOND A NEW COMPUTATIONALLY-DRIVEN MATERIALS DESIGN PARADIGM WILL BE ESTABLISHED TO DEVELOP THE UHSL MATERIAL OF INTEREST AND FOR FUTURE RAPID MATERIALS DESIGN AND DEVELOPMENT EFFORTS. THIRD A FUNDAMENTAL UNDERSTANDING OF LOAD TRANSFER AND MULTISCALE FAILURE MECHANISMS OF CNT-BASED COMPOSITE MATERIALS WILL BE ESTABLISHED TO ACHIEVE THEIR THEORETICAL PERFORMANCE. FOURTH A REPRODUCIBLE ENGINEERING PERFORMANCE DATA FROM AEROSPACE-QUALITY AND SCALE-UP PANEL TEST RESULTS BUILDING UPON AEROSPACE-GRADE RESIN SYSTEMS AND HIGH-QUALITY COMMERCIALLY AVAILABLE CNT MATERIALS TO ENSURE SCALABILITY TO CONDUCT ASTM STANDARD TESTS. ANOTHER IMPORTANT EMPHASIS OF THE INSTITUTE WILL BE IN WORKFORCE DEVELOPMENT. STUDENTS WILL BE TRAINED FOR DEVELOPING AND UTILIZING ADVANCED COMPUTATIONAL AND EXPERIMENTAL APPROACHES FOR LIGHTWEIGHT MATERIALS. FUNDS WILL BE RESERVED FOR THE STUDENTS TO HAVE EXTENDED VISITS TO NASA FACILITIES DURING SUMMER MONTHS FOR DIRECT MENTORSHIP BY NASA RESEARCHERS. THESE ACTIVITIES WILL STRENGTHEN THE PARTNERSHIPS BETWEEN THE INSTITUTE MEMBERS AND NASA. WITH THE HELP OF THE HBCU PARTICIPANT (FLORIDA A&M UNIVERSITY) THE INSTITUTE WILL ESTABLISH A DIVERSE GROUP OF BOTH RESEARCHERS AND GRADUATE STUDENTS., G4756115007
OpenAlex ID: W4388212255