CNG NGH v KHOA HC VT LIU I CNG

Mng tinh th trong cht rn Nguyn Th Ngc Anh Email: ngocanhnt.vn@gmail.com T: 01247907676

Ti sao li phi nghin cu Cu trc tinh th

Trong s cc loi vt liu, loi c cu trc tinh th chim t l rt ln v thng mang cc tnh cht rt a dng ph thuc vo kiu sp xp cc nguyn t: Cc vt liu c cp ti l dng cht rn Tnh cht cc vt liu lin quan trc tip n cu trc tinh th ca chng L tinh th hoc l khng tinh th Cc tinh th n cht (ca mt nguyn t thnh phn) v cc tinh th hp cht (gm nhiu nguyn t thnh phn) Cu trc v kch thc cc tinh th, H S Phm K Thut Hng Yn Hng Yn 2011 cc bin ht Khoa C bn

Ti sao li phi nghin cu Cu trc tinh th

Cht rn: n tinh th, a tinh th, v nh hnh, gi tinh th cc cht n tinh th, cc hiu ng ca s sp xp cc nguyn t trong tinh th thng d dng quan st mt cch v m, do hnh dng t nhin ca tinh th thng phn nh cu trc sp xp nguyn t Cc sai hng tinh th nh hng rt r rt ln cc tnh cht vt l v ha hc ca vt liu. Cc kin thc v cu trc tinh th l rt quan trng hiu r v cc sai hng trong tinh th
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Ht

Bin ht

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Ti sao li phi nghin cu Cu trc tinh th

Cu trc n tinh th

Cu trc v nh hnh

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Ti sao li phi nghin cu Cu trc tinh th

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Cu trc Tinh th

Tinh th l s sp xp tun hon trong khng gian ca cc nguyn t hoc phn t, cc nhm nguyn t hoc phn t S sp xp tun hon lp li theo c 3 chiu khng gian Trong iu kin l tng, c th to n tinh th, trong tt c cc nguyn t trong cht rn u trong cng mt cu trc

Cu trc tinh th
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Mng tinh th
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C s
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Cu trc Tinh th

Hoc

Cu trc tinh th
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Mng tinh th
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C s
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Gi Tinh th - Quasicrystals

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Gi Tinh th - Quasicrystals

Gi tinh th l mt dng tn ti khc bit ca cht rn trong cc nguyn t sp xp dng nh l u n nhng khng c s lp li c cp ti v nghin cu ln u tin bi Dan Shechtman nm 1982 Hu ht cc gi tinh th thu c cho thy u l hp kim ca Nhm (Al-Ni-Co, AlPd-Mn, Al-Cu-Fe), mt s cc hp kim khc gm c (Ti-Zr-Ni, Zn-Mg-Ho)

T Gi tinh th c dng ch cc mu c trt t xa nhng khng tun hon Cc vt liu c cu trc tun hon c nghin cu nhiu. Cn t quan tm ti cc vt liu gi tun hon (quasiperiodic) hoc bt tun hon (aperiodic)

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a hnh v th hnh

Mt s vt liu c th tn ti nhiu hn mt loi cu hnh tinh th - c gi l tnh a hnh (polymorphism) Nu vt liu l mt cht rn cng mt nguyn t c gi l c tnh th hnh, tnh khc hnh (allotropy)

Mt v d cho c tnh th hnh l nguyn t carbon c th tn ti nhiu dng nh kim cng, than ch, carbon nanotubes, C60, C70 v carbon v nh hnh

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Tnh d hng

Cc chiu khc nhau trong mt tinh th c s xp xp khc nhau dn n khc nhau v mt s tnh cht vt l v ha hc V d cc nguyn t dc theo cnh ca FCC cch xa nhau hn so vi hng cho

D hng v i xng trong khng gian dn n d hng v nhiu tnh cht c bn Trong a tinh th, s nh hng cc ht l hon ton ngu nhin tnh cht ca vt liu l ng hng Mt s vt liu c cc ht vi chiu u tin

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Tnh i xng

i xng l mt trong nhng tnh cht quan trng ca tinh th, n th hin hnh dng bn ngoi,cu trc bn trong cng nh cc tnh cht Tnh i xng ca tinh th c c trng bi cc yu t i xng. Mi yu t i xng tng ng vi mt bin i hnh hc xc nh mt h thng im, ng, phn t,... t trng lp vi chnh mnh trong khng gian

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Tnh i xng

Nhng yu t i xng quan trng l: - Tm i xng (k hiu C): bng php nghch o qua tm cc im s trng nhau - Mt chiu gng (k hiu P): bng php phn chiu qua mt mt phng cc mt s trng nhau - Trc i xng (k hiu L): cc im s trng nhau bng cch quay quanh trc mt gc , n=2/ gi l bc ca trc i xng b a b (n = 1,2,3,4,6) a
2 3 3 3

b1 C

a1 a2

a1 b3 a2 b2

b1

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 c s

c s ( n v) l mt cch sp xp ca cc nguyn t trong khng gian ba chiu, nu ta lp li n th n s chim y khng gian v s to nn tinh th. Kch thc v hnh dng ca c s c xy dng trn c s: - 3 vector n v: a, b, c tng ng vi 3 trc x, y, z theo 3 chiu khng gian. - Modun a, b, c ca 3 vector n v l kch thc ca c s, cn gi l hng s mng - Cc gc , , hp bi cc vector n v i vi mi cu trc tinh th, tn ti mt n v quy c, thng c chn mng tinh th c tnh i xng cao nht. Do tnh i xng, t mt c s tnh tin theo ba chiu trong khng H S Phm K Thut Hng mt mng tinh th Hng Yn 2011 gian s c Yn Khoa C bn

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M t Mng Tinh th
CC LOI VT LiU V S SP XP NGUYN T

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5 Mng Tinh th hai chiu

Mng nghing

b a

a b, 90 a

a a b, = 90
Mng ch nht

b a b, = 90

Mng ch nht tm mt

a = b, = 90 a a

Mng vung

a = b, =120 a a
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Mng lc gic
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Cc Mng Tinh th c bn Mng Bravais (Bravais Lattice)

Cch chn cc vct a1, a2, a3 ca mng Bravais c tnh i xng cao nht ca h m tinh th c xp vo c s gc vung ln nht hoc s cnh bng nhau v s gc bng nhau nhiu nht c th tch nh nht ( nguyn t, c s)
Nu khng th ng thi tha mn c 3 yu t trn th chn cc vct a1, a2, a3 theo th t u tin 1, 2, 3 Ch c 7 dng c s c th dng lp y khng gian mng tinh th

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Mng Tinh th ba chiu: 7 h tinh th 14 mng Bravais

Lp phng Bn phng

Trc phng

Mt nghing

Ba nghing

Ba phng

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Lc gic

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Mng Tinh th ba chiu: 7 h tinh th 14 mng Bravais

Tinh th l s sp xp tun 7 h tinh th 14 mng tt Bravais hon trong khng gian ca cc nguyn t hoc phn t, cc nhm nguyn t Ba nghing hoc phn t Tm y S sp xp tun hon lp li theo c 3 chiu khng gian Trong iu kin l tng, c th to thnh n tinh th, Mt nghing vi tt c cc nguyn t trong cht rn u trong cng mt cu trc
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Mng Tinh th ba chiu: 7 h tinh th 14 mng Bravais

Trc phng (Trc thoi) Tm y = Tm cnh Su phng Lc gic

Tm khi

Tm mt

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Mng Tinh th ba chiu: 7 h tinh th 14 mng Bravais

Tinh th l s sp xp tun hon trong khng gian ca cc nguyn t hoc phn t, cc nhm nguyn t hoc phn t S sp xp tun hon lp li theo c 3 chiu khng gian Trong iu kin l tng, c th to thnh n tinh th, vi tt c cc nguyn t trong cht rn u trong cng mt cu trc

Ba phng

Bn phng

Lp phng
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Mng Tinh th ba chiu 7 h tinh th

Th tch cc mng Bravais c tnh nh sau

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S nguyn t trong mt c s

Lp phng n gin Simple cubic SC

Lp phng tm khi Body-centered cubic BCC

Lp phng tm mt Face-centered cubic FCC

Lc gic xp cht Hexagonal closepacked HCP

1 nguyn t c s
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2 nguyn t c s
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4 nguyn t c s

6 nguyn t c s
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H s xp cht APF trong tinh th

H s xp cht nguyn t (H s lp y nguyn t) APF

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Nt mng

Da trn c s ca h to c th xc nh (k hiu, nh s) cc nt mng, phng, mt tinh th Nt mng tng ng vi cc to trn 3 trc Ox, Oy, Oz chn c t trong du mc vung [x,y,z] Gi tr m biu th bng du - trn ch s tng ng, v d trn t s tng ng vi trc Oy c gi tr m l [x,y,z]

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Ch s Miller ca phng (chiu) trong Tinh th

Cch xc nh ba ch s v chiu trong tinh th Ch s Miller chiu ca mt ng trong mng tinh th c th xc nh c nu bit 2 nt mng m phng i qua. K hiu bng [uvw] Do tnh quy lut trong sp xp nguyn t m cc phng song song vi nhau c tnh cht hon ton ging nhau, nn s c cng ch s phng ly theo phng i qua gc to O. Ba ch s u, v, w l ba s nguyn t l thun vi to ca mt nt mng nm trn phng song gn vi gc to nht : Bng cch v ng song song vi ng qua gc ta . Ch s Miller ca ng l ta ca im u tin m ng i qua. Nu ta ca im l u, v, w th ch s chiu ca ng s l [uvw]. Theo quy c ngi ta dng tp cc s nguyn nh nht [1], [112], [224] ch cc chiu tng ng ngi ta dng [112] Cc ch s m c k hiu c gch ngang trn u [112]

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Ch s Miller ca chiu trong Tinh th

Cch xc nh ba ch s v chiu trong tinh th
1. Vc t c di thch hp c t sao cho i qua gc h ta . Mi vc t u c th dch chuyn trong mng tinh th m khng lm n thay i nu vn duy tr s song song 2. Xc nh chiu di ca hnh chiu vc t ln 3 trc: thang o theo n v ca c s a, b v c 3. B 3 s ny c nhn hoc chia bi cng mt h s (quy ng mu s) rt gn chng v b cc s nguyn nh nht 4. B 3 ch s c cho vo trong mc vung khng phn cch bi du phy [uvw]. Rt gn b cc s nguyn u, v, w tng ng vi hnh chiu theo cc trc x, y v z

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Ch s Miller ca chiu trong Tinh th

Vector nh hnh v i qua gc h ta , do khng cn phi tnh tin. Hnh chiu ca vect ln cc trc x, y, v z ln lt l a/2, b, and 0c, c xc nh , 1, and 0 theo thng s ca c s (tc l khi chiu xung a, b, v c). Quy ng mu s cc s ny v b nh nht ca cc s nguyn bng cch nhn mi ch s vi cng gi tr 2.Kt qu l cc s nguyn 1, 2, v 0, s c ng trong ngoc vung [120]
Cc hng [100], [110], v [111] trong mt c bn trong tinh th
Cc bc thc hin nh sau

Cc hnh chiu Quy ng mu s, rt gn t trong du ngoc

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Ch s Miller ca cc mt trong Tinh th

Cch xc nh ba ch s (hkl) ca mt trong tinh th 1. Nu mt phng i qua gc ta , hoc l coi nhng mt khc song song vi n tnh tin trong cng mt c s hoc l dng mt gc ta mi c to ra gc ca mt c s khc 2. Mt phng trong cu trc tinh th hoc b ct bi trc ta , hoc song song vi trc ta ; di ca mi trc ta gii hn bi mt phng s xc nh cc thng s mng a, b v c 3. Nghch o cc s ny, nu mt phng song song vi cc trc ta , c th coi l ct v hn v do ch s sau khi nghch o s l zero (0) 4. B ba s ny cn rt gn (quy ng mu s) v b ba s nguyn nh nht nu cn thit, bng cch nhn hoc chia bi cng mt h s 5. Cui cng, cc s nguyn ny c ng trong ngoc trn khng dng du phy phn cch, ta c (hkl)

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Ch s Miller ca cc mt trong Tinh th

Cc ch s h, k, l c xc nh nh sau: - tm giao im ca mt phng trn 3 trc theo th t Ox, Oy, Oz - xc nh di on thng t gc to n cc giao im, ri ly cc gi tr nghich o - quy ng mu s chung, ly cc gi tr ca t s, chnh l cc ch s h, k, l ca mt phng cn tm
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Ch s Miller ca cc mt trong Tinh th

Mt (A)
im ct trc ta

x
1/2

z
2/3

Nghch o
Quy ng mu s, rt gn Ch s Miller ca mt A

2
4

0
0 (403)

3/2
3

Mt (B)
im ct trc ta Nghch o Quy ng mu s, rt gn Ch s Miller ca mt B

x
1 1 1

y
1 1 1 (112)

z
1/2 2 1

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Ch s Miller ca cc mt trong Tinh th

Trnh by cc h mt (a) (001), (b) (110), v (c) (111) ca cc mt trong tinh th

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Ch s Miller ca chiu trong h su phng

Ch s Miller trong h su phng c bn trc to Ox, Oy, Ou va Oz, trong ba trc u tin nm trn cng mt mt phng. K hiu bng (hkil). Ch s th ba i (ca trc Ou) c quan h vi hai ch s u h, k (Ox, Oy) nh sau: i= -(h+k)

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Ch s Miller ca chiu trong h su phng

Chuyn t h 3 ch s sang h 4 ch s u, v, w u, v, t, w
a1 a2 z a1 a2 a3 z

u'= a1= 1 v'= a2= 1 w'= z= 1

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Ch s Miller ca mt trong h su phng

a1
Mt
im ct trc ta Nghch o Quy ng mu s, rt gn t trong du ngoc

a2
y
-1 -1 -1 (111)

z
z
1 1 1

x
1 1 1

Mt song song vi trc a3 i = 0

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Xc nh ch s Miller ca cc im trong cc hnh sau

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Xc nh ch s phng Miller trong cc hnh sau

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Xc nh ch s mt Miller trong cc hnh sau

Mt
im ct trc ta Nghch o Quy ng mu s, rt gn Ch s Miller ca mt B

x
a 0 0

y
-1b -1 -1 (012)

z
c/2 2 2

Mt
im ct trc ta Nghch o Quy ng mu s, rt gn Ch s Miller ca mt B

x
0 0

y
-1 -1 -1 (011)

z
1 1 1

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Xc nh ch s mt Miller trong cc hnh sau

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Xc nh ch s mt Miller trong cc hnh sau

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